METHANOL	1	4	0	1	0	0	0	0	32	0.791	1.3286	65	-98	0	0	0	0	0	0	0	""	A1	F1-109B	A1-101A	8PI	31	32	29	28	0	0	1	1
METHYL_CYANIDE	2	3	1	0	0	0	0	0	41	0.786	1.3436	82	-46	0	0	0	0	0	0	0	""	M3	F1-837A	S-9154	8PI	41	40	39	38	0	0	1	0
ACETALDEHYDE	2	4	0	1	0	0	0	0	44	0.788	1.3316	21	-125	0	0	0	0	0	0	0	""	A2	F1-465B	A1-357A	8PI	29	44	43	42	1	0	1	0
DIMETHYLAMINE	2	7	1	0	0	0	0	0	45	0.656	1.3580	7	-92	0	0	0	0	0	0	0	""	M3	F1-294B	S-39669	8PI	44	45	28	42	0	0	1	1
ETHANOL	2	6	0	1	0	0	0	0	46	0.789	1.3614	79	-114	0	0	0	0	0	0	0	""	A1	F1-109C	V-14	8PI	31	45	27	29	0	0	1	1
ETHYL_CYANIDE	3	5	1	0	0	0	0	0	55	0.782	1.3655	97	-93	0	0	0	0	0	0	0	""	M3	F1-837B	A1-695C	8PI	28	54	26	27	0	0	1	0
PROPIONITRILE	3	5	1	0	0	0	0	0	55	0.772	1.3660	97	-93	0	0	0	0	0	0	0	""	A2	F1-837B	A1-695C	8PI	28	54	55	26	0	0	1	0
PROPARGYL_ALCOHOL	3	4	0	1	0	0	0	0	56	0.963	1.4322	115	-17	0	0	0	0	0	0	0	""	A2	F2-935C	A2-952C	8PI	55	39	27	29	0	0	3	1
CYCLOBUTANE	4	8	0	0	0	0	0	0	56	0.694	1.3650	13	-91	0	0	0	0	0	0	0	""	A1	S-41976	""	8PI	28	41	56	27	0	0	1	0
PROPANAL	3	6	0	1	0	0	0	0	58	0.797	1.3619	48	-80	284	13	0	0	0	0	1	A_B1T5	A1	F1-465C	A1-357B	8PI	29	28	27	58	1	0	1	0
ACETONE	3	6	0	1	0	0	0	0	58	0.791	1.3590	56	-95	270	19	0	0	0	0	5	S-89	A1	F1-405A	S-9288	8PI	43	58	27	42	1	0	1	0
ALLYL_ALCOHOL	3	6	0	1	0	0	0	0	58	0.854	1.4130	97	-129	0	0	0	0	0	0	0	""	A2	F1-138B	V-34	8PI	57	29	31	58	0	0	3	1
BUTANE	4	10	0	0	0	0	0	0	58	0.579	0.0000	0	-138	0	0	0	0	0	0	0	""	A1	S-36769	""	8PI	43	29	28	41	0	0	1	0
ACETAMIDE	2	5	1	1	0	0	0	0	59	0.000	0.0000	221	80	0	0	0	0	0	0	0	""	A2	F1-747B	A1-629B	8PI	59	44	43	42	1	0	1	0
N-METHYLFORMAMIDE	2	5	1	1	0	0	0	0	59	1.011	1.4302	185	-40	0	0	0	0	0	0	0	""	A2	F1-753D	A1-634D	8PI	59	30	28	29	1	0	1	1
2-AMINOPROPANE	3	9	1	0	0	0	0	0	59	0.689	1.3742	32	-95	0	0	0	0	0	0	0	""	M3	F1-284B	A1-242C	8PI	44	42	28	41	0	0	1	1
1-AMINOPROPANE	3	9	1	0	0	0	0	0	59	0.717	1.3879	48	-83	0	0	0	0	0	0	0	""	M3	F1-280C	A1-238D	8PI	30	28	59	27	0	0	1	1
ACETIC_ACID	2	4	0	2	0	0	0	0	60	1.049	1.3719	118	17	0	0	0	0	0	0	0	""	A1	F1-481B	V-8	8PI	43	45	60	28	1	0	1	1
METHYL_FORMATE	2	4	0	2	0	0	0	0	60	0.974	1.3425	34	-100	0	0	0	0	0	0	0	""	A2	F1-599A	A1-507A	8PI	31	29	32	60	1	0	1	0
1-PROPANOL	3	8	0	1	0	0	0	0	60	0.803	1.3836	97	-126	0	0	0	0	0	0	0	""	A1	F1-109D	A1-101C	8PI	31	27	29	59	0	0	1	1
2-PROPANOL	3	8	0	1	0	0	0	0	60	0.785	1.3772	82	-88	0	0	0	0	0	0	0	""	A1	F1-117D	A1-109C	8PI	45	43	27	29	0	0	1	1
DIMETHYL_SULFIDE	2	6	0	0	0	0	0	1	62	0.848	1.4355	37	-98	0	0	0	0	0	0	0	""	A1	F1-264B	S-6344	8PI	47	62	45	46	0	0	1	0
ETHYLENE_GLYCOL	2	6	0	2	0	0	0	0	62	1.113	1.4310	198	-13	0	0	0	0	0	0	0	""	A2	F1-127D	A1-120A	8PI	31	33	29	43	0	0	1	1
MALONONITRILE	3	2	2	0	0	0	0	0	66	1.049	0.0000	220	34	0	0	0	0	0	0	0	""	A2	F1-840C	S-10245	8PI	66	38	39	28	0	0	1	0
ALLYL_CYANIDE	4	5	1	0	0	0	0	0	67	0.834	1.4050	119	999	201	192	204	187	0	0	3	AA1/13	A2	F1-843A	A1-701D	8PI	41	39	27	67	0	0	3	0
METHACRYLONITRILE	4	5	1	0	0	0	0	0	67	0.800	1.4002	92	-36	215	677	0	0	0	0	4	L-13	A2	F1-843D	A1-701C	8PI	41	67	39	40	0	0	3	0
1,CIS-3-PENTADIENE	5	8	0	0	0	0	0	0	68	0.691	1.4363	45	-141	226	19300	0	0	0	0	3	L-6	A1	F1-26C	""	8PI	67	39	68	53	0	0	3	0
1,TRANS-3-PENTADIENE	5	8	0	0	0	0	0	0	68	0.676	1.4301	42	-87	224	26400	0	0	0	0	2	L-7	A1	F1-26D	A1-31D	8PI	67	39	68	53	0	0	3	0
1,4-PENTADIENE	5	8	0	0	0	0	0	0	68	0.661	1.3888	26	-148	0	0	0	0	0	0	0	""	A1	F1-27B	A1-32A	8PI	39	68	67	53	0	0	3	0
2-METHYL-1,3-BUTADIENE	5	8	0	0	0	0	0	0	68	0.681	1.4219	34	-146	223	10800	0	0	0	0	1	S28616	A1	F1-30D	A1-35A	8PI	67	68	53	39	0	0	3	0
CYCLOPENTENE	5	8	0	0	0	0	0	0	68	0.772	1.4225	44	-135	0	0	0	0	0	0	0	""	A1	F1-40C	S-5162	8PI	67	68	39	53	0	0	3	0
3-METHYL-1-BUTYNE	5	8	0	0	0	0	0	0	68	0.666	1.3723	26	-90	0	0	0	0	0	0	0	""	A1	""	""	8PI	53	67	27	39	0	0	3	0
2-PENTYNE	5	8	0	0	0	0	0	0	68	0.711	1.4039	56	-109	0	0	0	0	0	0	0	""	A1	S-67056	""	8PI	68	53	39	41	0	0	3	0
1-PENTYNE	5	8	0	0	0	0	0	0	68	0.690	1.3852	40	-106	0	0	0	0	0	0	0	""	A1	F2-931B	S-8169	8PI	67	39	40	27	0	0	3	0
PROPYL_CYANIDE	4	7	1	0	0	0	0	0	69	0.791	1.3840	118	-112	0	0	0	0	0	0	0	""	M3	F1-837C	S-33	8PI	41	29	27	39	0	0	1	0
ISOBUTYRONITRILE	4	7	1	0	0	0	0	0	69	0.760	1.3720	108	-72	0	0	0	0	0	0	0	""	A2	F1-838B	A1-696A	8PI	42	68	28	41	0	0	1	0
CROTONALDEHYDE	4	6	0	1	0	0	0	0	70	0.846	1.4365	104	999	214	16800	321	22	329	25	3	S-418	A2	F1-472C	V-60	8PI	41	70	39	69	1	0	3	0
METHYL_PROPARGYL_ETHER	4	6	0	1	0	0	0	0	70	0.830	1.3961	62	999	0	0	0	0	0	0	0	""	A2	F2-935D	F2-952D	HB	39	41	29	69	0	0	3	0
METHYL_VINYL_KETONE	4	6	0	1	0	0	0	0	70	0.842	1.4115	37	999	211	6560	0	0	0	0	4	L-8	A2	F1-413D	S-9272	8PI	55	43	27	70	1	0	3	0
CYCLOPENTANE	5	10	0	0	0	0	0	0	70	0.745	1.4065	49	-94	0	0	0	0	0	0	0	""	A1	F1-33C	S-3435	8PI	42	70	55	41	0	0	1	0
METHYLCYCLOBUTANE	5	10	0	0	0	0	0	0	70	0.693	1.3836	36	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	42	41	55	39	0	0	1	0
TRANS-1,2-DIMETHYLCYCLOPROPANE	5	10	0	0	0	0	0	0	70	0.670	1.3713	28	-150	0	0	0	0	0	0	0	""	A1	""	""	8PI	55	70	42	41	0	0	1	0
CIS-1,2-DIMETHYLCYCLOPROPANE	5	10	0	0	0	0	0	0	70	0.694	1.3829	37	-141	0	0	0	0	0	0	0	""	A1	S-16057	S-8174	8PI	55	70	42	39	0	0	1	0
1,1-DIMETHYLCYCLOPROPANE	5	10	0	0	0	0	0	0	70	0.660	1.3669	21	-109	0	0	0	0	0	0	0	""	A1	S-46544	""	8PI	55	70	39	41	0	0	1	0
ETHYLCYCLOPROPANE	5	10	0	0	0	0	0	0	70	0.684	1.3786	36	-149	0	0	0	0	0	0	0	""	A1	""	S-8163	8PI	42	55	41	39	0	0	1	0
2-METHYL-2-BUTENE	5	10	0	0	0	0	0	0	70	0.662	1.3874	39	-134	0	0	0	0	0	0	0	""	A1	F1-21D	A1-30A	8PI	55	70	42	41	0	0	3	0
3-METHYL-1-BUTENE	5	10	0	0	0	0	0	0	70	0.627	1.3643	20	-168	0	0	0	0	0	0	0	""	A1	F1-21C	J-140	8PI	55	27	42	70	0	0	3	0
2-METHYL-1-BUTENE	5	10	0	0	0	0	0	0	70	0.650	1.3778	31	-138	0	0	0	0	0	0	0	""	A1	F1-21B	S-3426	8PI	55	70	42	39	0	0	3	0
TRANS-2-PENTENE	5	10	0	0	0	0	0	0	70	0.648	1.3793	37	-140	0	0	0	0	0	0	0	""	A1	F1-17A	A1-24A	8PI	55	42	70	39	0	0	3	0
CIS-2-PENTENE	5	10	0	0	0	0	0	0	70	0.656	1.3830	37	-151	0	0	0	0	0	0	0	""	A1	F1-17B	""	8PI	55	42	70	39	0	0	3	0
1-PENTENE	5	10	0	0	0	0	0	0	70	0.641	1.3715	30	-165	0	0	0	0	0	0	0	""	A1	F1-13B	A1-20A	8PI	42	55	41	70	0	0	3	0
2-METHYLPROPANAL	4	8	0	1	0	0	0	0	72	0.789	1.3729	64	-65	0	0	0	0	0	0	0	""	A1	F1-466B	S-9370	8PI	43	41	27	72	1	0	1	0
BUTANAL	4	8	0	1	0	0	0	0	72	0.802	1.3791	75	-97	0	0	0	0	0	0	0	""	A1	F1-466A	V-78	8PI	44	29	43	72	1	0	1	0
2-BUTANONE	4	8	0	1	0	0	0	0	72	0.805	1.3788	80	-86	0	0	0	0	0	0	0	""	A1	F1-405B	S-10292	8PI	43	72	29	27	0	0	1	0
3-BUTEN-1-OL	4	8	0	1	0	0	0	0	72	0.838	1.4213	113	999	0	0	0	0	0	0	0	""	A2	F1-139A	A1-130B	8PI	42	31	39	41	0	0	3	1
2-METHYL-2-PROPEN-1-OL	4	8	0	1	0	0	0	0	72	0.857	1.4250	115	999	0	0	0	0	0	0	0	""	A2	F1-138D	A1-130A	8PI	57	43	72	39	0	0	3	1
TETRAHYDROFURAN	4	8	0	1	0	0	0	0	72	0.886	1.4070	67	-108	0	0	0	0	0	0	0	""	A2	F1-238A	V-77	8PI	42	72	71	43	0	0	1	0
PENTANE	5	12	0	0	0	0	0	0	72	0.626	1.3575	36	-130	0	0	0	0	0	0	0	""	A1	F1-1A	S-3430	8PI	43	42	41	27	0	0	1	0
2-METHYLBUTANE	5	12	0	0	0	0	0	0	72	0.620	1.3534	28	-160	0	0	0	0	0	0	0	""	A1	F1-8B	S-3416	8PI	43	42	41	57	0	0	1	0
2,2-DIMETHYLPROPANE	5	12	0	0	0	0	0	0	72	0.591	1.3420	10	-17	0	0	0	0	0	0	0	""	A1	S-36568	S-5309	8PI	57	41	29	27	0	0	1	0
DIMETHYLFORMAMIDE	3	7	1	1	0	0	0	0	73	0.944	1.4305	153	-61	0	0	0	0	0	0	0	""	A2	F1-758D	S-9287	8PI	73	44	42	30	1	0	1	0
1-AMINOBUTANE	4	11	1	0	0	0	0	0	73	0.741	1.4031	78	-49	0	0	0	0	0	0	0	""	M3	F1-281A	S-10957	8PI	30	73	28	41	0	0	1	1
2-AMINO-2-METHYLPROPANE	4	11	1	0	0	0	0	0	73	0.696	1.3784	44	-68	0	0	0	0	0	0	0	""	M3	F1-285C	A1-244A	8PI	58	41	42	30	0	0	1	1
DIETHYLAMINE	4	11	1	0	0	0	0	0	73	0.699	1.3823	56	-50	0	0	0	0	0	0	0	""	M3	F1-295B	A1-253D	8PI	58	30	73	44	0	0	1	1
1-AMINO-2-METHYLPROPANE	4	11	1	0	0	0	0	0	73	0.735	1.3972	68	-87	0	0	0	0	0	0	0	""	M3	F1-285B	A1-243D	8PI	30	73	43	28	0	0	1	1
2-AMINOBUTANE	4	11	1	0	0	0	0	0	73	0.725	1.3934	63	-105	0	0	0	0	0	0	0	""	M3	F1-284D	A1-243A	8PI	44	58	41	29	0	0	1	1
3-CHLOROPROPYNE	3	3	0	0	1	0	0	0	74	1.030	1.4349	58	999	187	6500	0	0	0	0	3	A_A2/2	A2	F2-934A	A2-951C	8PI	39	74	37	38	0	0	3	0
PROPANOIC_ACID	3	6	0	2	0	0	0	0	74	0.993	1.3865	141	-21	0	0	0	0	0	0	0	""	A1	F1-481D	A1-419C	8PI	28	29	74	45	1	0	1	1
ETHYL_FORMATE	3	6	0	2	0	0	0	0	74	0.917	1.3592	54	-80	0	0	0	0	0	0	0	""	A2	F1-599B	A1-507B	8PI	31	29	28	45	1	0	1	0
METHYL_ACETATE	3	6	0	2	0	0	0	0	74	0.932	1.3610	58	-98	0	0	0	0	0	0	0	""	A2	F1-600A	A1-507D	8PI	43	74	42	59	1	0	1	0
2-BUTANOL	4	10	0	1	0	0	0	0	74	0.806	1.3969	96	999	0	0	0	0	0	0	0	""	A1	F1-118	S-7952	8PI	45	59	31	41	0	0	1	1
1-BUTANOL	4	10	0	1	0	0	0	0	74	0.810	1.3993	118	-89	0	0	0	0	0	0	0	""	A1	F1-110A	S-7200	8PI	56	31	41	43	0	0	1	1
2-METHYL-2-PROPANOL	4	10	0	1	0	0	0	0	74	0.786	1.3878	83	26	0	0	0	0	0	0	0	""	A1	F1-125B	A1-117D	8PI	59	41	31	43	0	0	1	1
2-METHYL-1-PROPANOL	4	10	0	1	0	0	0	0	74	0.802	1.3959	108	999	0	0	0	0	0	0	0	""	A1	F1-114C	A1-106C	8PI	43	31	42	33	0	0	1	1
DIETHYL_ETHER	4	10	0	1	0	0	0	0	74	0.713	1.3526	34	-116	0	0	0	0	0	0	0	""	A1	F1-203A	A1-173A	8PI	31	29	59	45	0	0	1	0
METHYL_PROPYL_ETHER	4	10	0	1	0	0	0	0	74	0.728	1.3571	39	999	0	0	0	0	0	0	0	""	A1	""	S-41760	8PI	45	29	27	41	0	0	1	0
METHYL_ISOPROPYL_ETHER	4	10	0	1	0	0	0	0	74	0.719	1.3560	32	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	59	29	43	31	0	0	1	0
3-CHLORO-1-PROPENE	3	5	0	0	1	0	0	0	76	0.938	1.4157	45	-135	0	0	0	0	0	0	0	""	M3	F1-93C	S-7833	8PI	41	39	76	78	0	0	3	0
1-PROPANETHIOL	3	8	0	0	0	0	0	1	76	0.842	1.4382	68	-113	0	0	0	0	0	0	0	""	A1	F1-255B	A1-217A	8PI	47	76	43	42	0	0	1	0
2-PROPANETHIOL	3	8	0	0	0	0	0	1	76	0.814	1.4255	53	-131	0	0	0	0	0	0	0	""	A1	F1-257D	A1-222B	8PI	43	76	41	61	0	0	1	0
METHYL_ETHYL_SULFIDE	3	8	0	0	0	0	0	1	76	0.842	1.4404	67	-106	0	0	0	0	0	0	0	""	A1	F1-265C	S-18912	8PI	61	76	48	47	0	0	1	0
DIMETHOXYMETHANE	3	8	0	2	0	0	0	0	76	0.860	1.3541	42	-105	0	0	0	0	0	0	0	""	A2	F1-205C	A1-174D	8PI	45	29	75	31	0	0	1	0
2-METHOXYETHANOL	3	8	0	2	0	0	0	0	76	0.965	1.4020	125	-85	0	0	0	0	0	0	0	""	A2	F1-222D	S-32	8PI	45	29	31	47	0	0	1	1
1,2-PROPANEDIOL	3	8	0	2	0	0	0	0	76	1.036	1.4320	187	-60	0	0	0	0	0	0	0	""	A2	F1-128B	A1-120B	8PI	45	43	31	27	0	0	1	1
1,3-PROPANEDIOL	3	8	0	2	0	0	0	0	76	1.053	1.4400	214	-27	0	0	0	0	0	0	0	""	A2	F1-128A	S-6003	8PI	28	58	31	57	0	0	1	1
ACETYL_CHLORIDE	2	3	0	1	1	0	0	0	78	1.104	1.3890	52	-112	0	0	0	0	0	0	0	""	A2	F1-723A	A1-611A	8PI	43	63	42	65	1	0	1	0
DIMETHYL_SULFOXIDE	2	6	0	1	0	0	0	1	78	1.101	1.4787	189	18	0	0	0	0	0	0	0	""	A2	F1-879A	S-535	8PI	63	78	45	61	0	0	1	0
2-CHLOROPROPANE	3	7	0	0	1	0	0	0	78	0.862	1.3777	36	-117	0	0	0	0	0	0	0	""	M3	F1-65C	S-6866	8PI	43	27	63	78	0	0	1	0
1-CHLOROPROPANE	3	7	0	0	1	0	0	0	78	0.891	1.3879	47	-123	0	0	0	0	0	0	0	""	M3	F1-55D	A1-59C	8PI	42	27	29	41	0	0	1	0
BENZENE	6	6	0	0	0	0	0	0	78	0.879	1.5011	80	6	201	8500	204	8800	254	250	3	A_D1/1	A1	F1-931A	S-3429	8PI	78	77	52	51	0	1	2	0
PYRIDINE	5	5	1	0	0	0	0	0	79	0.978	1.5102	115	-42	250	2150	256	2480	262	1900	1	S-9	A2	F2-729A	A2-611A	8PI	79	52	51	50	0	1	2	0
SUCCINONITRILE	4	4	2	0	0	0	0	0	80	0.985	0.0000	267	56	0	0	0	0	0	0	0	""	A2	F1-840D	A1-699A	8PI	53	79	52	40	0	0	1	0
1,4-CYCLOHEXADIENE	6	8	0	0	0	0	0	0	80	0.847	1.4720	82	999	0	0	0	0	0	0	0	""	A2	F1-46D	A1-50A	8PI	79	80	77	51	0	0	3	0
1,3-CYCLOHEXADIENE	6	8	0	0	0	0	0	0	80	0.841	1.4741	80	999	248	5370	256	7940	265	6030	3	L-4	A2	F1-46C	A1-49D	8PI	79	80	77	51	0	0	3	0
2,3-DIMETHYL-1,3-BUTADIENE	6	10	0	0	0	0	0	0	82	0.727	1.4394	69	-76	228	22000	0	0	0	0	2	L-7	A1	F1-32A	A1-35D	8PI	67	39	41	82	0	0	3	0
1,5-HEXADIENE	6	10	0	0	0	0	0	0	82	0.692	1.4042	59	-141	0	0	0	0	0	0	0	""	A1	F1-29A	A1-33C	8PI	41	67	39	54	0	0	3	0
3-METHYLCYCLOPENTENE	6	10	0	0	0	0	0	0	82	0.764	1.4210	65	-127	0	0	0	0	0	0	0	""	A1	""	""	8PI	67	39	82	41	0	0	3	0
4-METHYLCYCLOPENTENE	6	10	0	0	0	0	0	0	82	0.768	1.4209	66	-161	0	0	0	0	0	0	0	""	A1	""	""	8PI	67	82	39	41	0	0	3	0
CYCLOHEXENE	6	10	0	0	0	0	0	0	82	0.811	1.4465	83	-104	0	0	0	0	0	0	0	""	A1	F1-40D	S-3409	8PI	67	54	82	41	0	0	3	0
1-METHYLCYCLOPENTENE	6	10	0	0	0	0	0	0	82	0.780	1.4322	75	-127	0	0	0	0	0	0	0	""	A1	F1-42A	A1-46A	8PI	67	82	39	41	0	0	3	0
3-METHYL-1-PENTYNE	6	10	0	0	0	0	0	0	82	0.704	1.3916	58	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
4-METHYL-1-PENTYNE	6	10	0	0	0	0	0	0	82	0.705	1.3930	61	-105	0	0	0	0	0	0	0	""	A1	""	""	8PI	67	41	43	39	0	0	3	0
2-HEXYNE	6	10	0	0	0	0	0	0	82	0.731	1.4138	85	-90	0	0	0	0	0	0	0	""	A1	S-67013	S-40010	8PI	82	67	53	54	0	0	3	0
1-HEXYNE	6	10	0	0	0	0	0	0	82	0.716	1.3989	71	-132	0	0	0	0	0	0	0	""	A1	F2-931C	A2-949A	8PI	67	41	43	39	0	0	3	0
3-HEXYNE	6	10	0	0	0	0	0	0	82	0.723	1.4113	81	-103	0	0	0	0	0	0	0	""	A1	""	""	8PI	82	67	41	54	0	0	3	0
4-METHYL-2-PENTYNE	6	10	0	0	0	0	0	0	82	0.716	1.4057	73	-110	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3,3-DIMETHYL-1-BUTYNE	6	10	0	0	0	0	0	0	82	0.668	1.3736	38	-78	0	0	0	0	0	0	0	""	A1	S-23290	S-13789	8PI	67	41	39	65	0	0	3	0
CIS-2,TRANS-4-HEXADIENE	6	10	0	0	0	0	0	0	82	0.720	1.4553	82	999	0	0	0	0	0	0	0	""	A2	F1-28D	A1-33B	8PI	67	41	82	39	0	0	3	0
TRANS-2,_TRANS-4-HEXADIENE	6	10	0	0	0	0	0	0	82	0.720	1.4529	82	999	226	24000	0	0	0	0	2	L-5	A2	F1-28C	A1-32D	8PI	67	41	82	39	0	0	3	0
2,4-HEXADIENE	6	10	0	0	0	0	0	0	82	0.720	1.4529	82	999	227	14200	0	0	0	0	1	S28889	A2	F1-28B	A1-32D	""	67	82	41	39	0	0	3	0
1,3-HEXADIENE	6	10	0	0	0	0	0	0	82	0.714	1.4400	75	999	0	0	0	0	0	0	0	""	A2	F1-27D	A1-32B	8PI	67	82	41	39	0	0	3	0
METHYLENECYCLOPENTANE	6	10	0	0	0	0	0	0	82	0.781	1.4354	76	999	0	0	0	0	0	0	0	""	A2	F1-44A	V-132	8PI	67	39	54	82	0	0	3	0
BUTYL_CYANIDE	5	9	1	0	0	0	0	0	83	0.801	1.3971	141	-96	0	0	0	0	0	0	0	""	M3	F1-839C	A1-698D	8PI	41	43	54	27	0	0	1	0
ISOVALERONITRILE	5	9	1	0	0	0	0	0	83	0.793	1.3955	127	999	0	0	0	0	0	0	0	""	B	S-25674	S-12835	8PI	43	41	39	27	0	0	1	0
DICHLOROMETHANE	1	2	0	0	2	0	0	0	84	1.326	1.4242	40	-95	0	0	0	0	0	0	0	""	M3	F1-70D	S-6401	8PI	49	84	86	51	0	0	1	0
METHYL_PROPIOLATE	4	4	0	2	0	0	0	0	84	0.945	1.4080	105	999	0	0	0	0	0	0	0	""	A2	F2-944B	A2-960A	8PI	53	54	40	39	0	0	3	0
CYCLOPENTANONE	5	8	0	1	0	0	0	0	84	0.951	1.4359	130	-51	259	16	282	18	180	0	1	S-67	A2	F1-430D	A1-393B	8PI	55	84	41	56	1	0	1	0
TRANS-2-PENTENAL	5	8	0	1	0	0	0	0	84	0.860	1.4470	81	999	0	0	0	0	0	0	0	""	A2	""	""	""	0	0	0	0	1	0	3	0
METHYLCYCLOPENTANE	6	12	0	0	0	0	0	0	84	0.749	1.4097	72	-142	0	0	0	0	0	0	0	""	A1	F1-34D	A1-38B	8PI	56	41	69	42	0	0	1	0
1,CIS-2,TRANS-3-TRIMETHYLCYCLOPROPANE	6	12	0	0	0	0	0	0	84	0.698	1.3873	60	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
PROPYLCYCLOPROPANE	6	12	0	0	0	0	0	0	84	0.711	1.3930	69	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
CIS-1,3-DIMETHYLCYCLOBUTANE	6	12	0	0	0	0	0	0	84	0.711	1.3933	61	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
ISOPROPYLCYCLOPROPANE	6	12	0	0	0	0	0	0	84	0.699	1.3865	58	-113	0	0	0	0	0	0	0	""	A1	S-16051	S-8166	8PI	56	41	39	43	0	0	1	0
CIS-1,2-DIMETHYLCYCLOBUTANE	6	12	0	0	0	0	0	0	84	0.736	1.4040	68	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
ETHYLCYCLOBUTANE	6	12	0	0	0	0	0	0	84	0.728	1.4020	71	-143	0	0	0	0	0	0	0	""	A1	""	""	8PI	56	41	27	55	0	0	1	0
TRANS-1,3-DIMETHYLCYCLOBUTANE	6	12	0	0	0	0	0	0	84	0.702	1.3896	58	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
TRANS-1,2-DIMETHYLCYCLOBUTANE	6	12	0	0	0	0	0	0	84	0.713	1.3950	60	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,1-DIMETHYLCYCLOBUTANE	6	12	0	0	0	0	0	0	84	0.713	1.3960	56	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-METHYL-1-ETHYLCYCLOPROPANE	6	12	0	0	0	0	0	0	84	0.702	1.3887	57	-130	0	0	0	0	0	0	0	""	A1	""	""	8PI	41	55	69	27	0	0	1	0
CIS-1-METHYL-2-ETHYLCYCLOPROPANE	6	12	0	0	0	0	0	0	84	0.715	1.3953	67	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
TRANS-1-METHYL-2-ETHYLCYCLOPROPANE	6	12	0	0	0	0	0	0	84	0.694	1.3846	59	999	0	0	0	0	0	0	0	""	A1	S-16050	S-8165	""	0	0	0	0	0	0	1	0
1,1,2-TRIMETHYLCYCLOPROPANE	6	12	0	0	0	0	0	0	84	0.695	1.3864	52	-138	0	0	0	0	0	0	0	""	A1	S-16064	S-8183	8PI	41	69	84	39	0	0	1	0
1,CIS-2,CIS-3-TRIMETHYLCYCLOPROPANE	6	12	0	0	0	0	0	0	84	0.718	1.3970	66	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
CYCLOHEXANE	6	12	0	0	0	0	0	0	84	0.779	1.4262	81	7	0	0	0	0	0	0	0	""	A1	F1-33D	S-1196	8PI	56	84	41	55	0	0	1	0
CIS-3-HEXENE	6	12	0	0	0	0	0	0	84	0.680	1.3948	66	-138	0	0	0	0	0	0	0	""	A1	""	""	8PI	55	42	41	27	0	0	3	0
1-HEXENE	6	12	0	0	0	0	0	0	84	0.673	1.3879	63	-140	0	0	0	0	0	0	0	""	A1	F1-13C	S-3427	8PI	41	56	42	27	0	0	3	0
TRANS-2-HEXENE	6	12	0	0	0	0	0	0	84	0.678	1.3936	68	-133	0	0	0	0	0	0	0	""	A1	F1-17D	A1-24C	8PI	55	42	41	84	0	0	3	0
CIS-2-HEXENE	6	12	0	0	0	0	0	0	84	0.687	1.3976	69	-141	0	0	0	0	0	0	0	""	A1	""	""	8PI	55	42	41	27	0	0	3	0
TRANS-3-HEXENE	6	12	0	0	0	0	0	0	84	0.677	1.3943	67	-113	0	0	0	0	0	0	0	""	A1	F1-18A	A1-24D	8PI	55	41	42	27	0	0	3	0
4-METHYL-TRANS-2-PENTENE	6	12	0	0	0	0	0	0	84	0.669	1.3888	59	-141	183	12200	0	0	0	0	3	AA1/11	A1	""	A1-29C	8PI	41	69	39	84	0	0	3	0
2-ETHYL-1-BUTENE	6	12	0	0	0	0	0	0	84	0.690	1.3967	65	-132	0	0	0	0	0	0	0	""	A1	S-36176	S-5315	8PI	69	41	55	84	0	0	3	0
4-METHYL-CIS-2-PENTENE	6	12	0	0	0	0	0	0	84	0.669	1.3879	56	-134	182	13000	0	0	0	0	3	AA1/10	A1	F1-23C	A1-29D	8PI	41	69	84	39	0	0	3	0
2-METHYL-2-PENTENE	6	12	0	0	0	0	0	0	84	0.687	1.4003	67	-135	0	0	0	0	0	0	0	""	A1	F1-23A	A1-30B	8PI	41	69	84	39	0	0	3	0
4-METHYL-1-PENTENE	6	12	0	0	0	0	0	0	84	0.664	1.3827	54	-154	0	0	0	0	0	0	0	""	A1	F1-22D	A1-26D	8PI	43	41	56	27	0	0	3	0
3-METHYL-1-PENTENE	6	12	0	0	0	0	0	0	84	0.667	1.3842	54	-153	0	0	0	0	0	0	0	""	A1	F1-22C	A1-27A	8PI	55	69	41	56	0	0	3	0
3-METHYL-TRANS-2-PENTENE	6	12	0	0	0	0	0	0	84	0.698	1.4045	70	-138	0	0	0	0	0	0	0	""	A1	S-18655	S-5314	8PI	41	69	55	84	0	0	3	0
3-METHYL-CIS-2-PENTENE	6	12	0	0	0	0	0	0	84	0.693	1.4016	68	-135	0	0	0	0	0	0	0	""	A1	S-38906	S-35789	8PI	41	69	55	84	0	0	3	0
2,3-DIMETHYL-2-BUTENE	6	12	0	0	0	0	0	0	84	0.708	1.4124	73	-74	192	12400	0	0	0	0	3	A_A1/3	A1	F1-25A	S-5678	8PI	41	69	84	39	0	0	1	0
2,3-DIMETHYL-1-BUTENE	6	12	0	0	0	0	0	0	84	0.678	1.3902	56	-157	0	0	0	0	0	0	0	""	A1	F1-22A	A1-27D	8PI	41	69	84	39	0	0	3	0
2-METHYL-1-PENTENE	6	12	0	0	0	0	0	0	84	0.680	1.3920	62	-136	0	0	0	0	0	0	0	""	A1	F1-22B	A1-28B	8PI	56	41	55	39	0	0	3	0
3,3-DIMETHYL-1-BUTENE	6	12	0	0	0	0	0	0	84	0.653	1.3762	41	-115	0	0	0	0	0	0	0	""	A1	F1-25B	A1-26B	8PI	69	41	84	39	0	0	3	0
3-METHOXYPROPIONITRILE	4	7	1	1	0	0	0	0	85	0.946	1.4030	165	999	0	0	0	0	0	0	0	""	A2	S-15108	S-10338	8PI	45	29	28	54	0	0	1	0
2-BUTYNE-1,4-DIOL	4	6	0	2	0	0	0	0	86	0.000	0.0000	238	57	0	0	0	0	0	0	0	""	A2	F2-939A	A2-956A	8PI	57	29	39	28	0	0	1	1
METHYL_ACRYLATE	4	6	0	2	0	0	0	0	86	0.956	1.4021	80	-75	0	0	0	0	0	0	0	""	A2	F1-638B	A1-537A	8PI	55	27	85	42	1	0	3	0
VINYL_ACETATE	4	6	0	2	0	0	0	0	86	0.934	1.3954	73	-93	0	0	0	0	0	0	0	""	A2	F1-632D	A1-533C	8PI	43	86	27	42	1	0	3	0
PENTANAL	5	10	0	1	0	0	0	0	86	0.810	1.3941	103	-91	0	0	0	0	0	0	0	""	A1	F1-467B	A1-358D	8PI	44	29	58	41	1	0	1	0
2,2-DIMETHYLPROPANAL	5	10	0	1	0	0	0	0	86	0.791	1.3800	75	6	0	0	0	0	0	0	0	""	A1	F1-465D	""	8PI	57	29	41	86	1	0	1	0
3-METHYLBUTANAL	5	10	0	1	0	0	0	0	86	0.780	1.3900	93	999	0	0	0	0	0	0	0	""	A1	F1-467A	A1-358C	8PI	44	41	43	58	1	0	1	0
2-METHYLBUTANAL	5	10	0	1	0	0	0	0	86	0.804	1.3899	93	999	0	0	0	0	0	0	0	""	A1	F1-466C	A1-358A	8PI	57	29	41	58	1	0	1	0
3-METHYL-2-BUTANONE	5	10	0	1	0	0	0	0	86	0.803	1.3882	94	-92	0	0	0	0	0	0	0	""	A1	F1-406B	A1-369D	8PI	43	41	86	27	1	0	1	0
3-PENTANONE	5	10	0	1	0	0	0	0	86	0.814	1.3923	102	-39	0	0	0	0	0	0	0	""	A1	F1-406C	A1-370B	8PI	57	27	29	86	1	0	1	0
2-PENTANONE	5	10	0	1	0	0	0	0	86	0.806	1.3902	102	-78	0	0	0	0	0	0	0	""	A1	F1-406A	A1-369C	8PI	43	41	27	58	1	0	1	0
CYCLOPENTANOL	5	10	0	1	0	0	0	0	86	0.949	1.4521	139	-19	0	0	0	0	0	0	0	""	A2	F1-157A	A1-144D	8PI	57	44	29	41	0	0	1	1
2-METHYL-3-BUTEN-2-OL	5	10	0	1	0	0	0	0	86	0.824	1.4160	99	999	0	0	0	0	0	0	0	""	A2	F1-140A	A1-131B	8PI	71	43	59	41	0	0	3	1
3-METHYL-3-BUTEN-1-OL	5	10	0	1	0	0	0	0	86	0.853	1.4337	999	999	0	0	0	0	0	0	0	""	A2	F1-139B	A1-130D	8PI	41	56	68	31	0	0	3	1
3-METHYL-2-BUTEN-1-OL	5	10	0	1	0	0	0	0	86	0.848	1.4412	140	999	0	0	0	0	0	0	0	""	A2	F1-139C	A1-130C	8PI	71	43	59	27	0	0	3	1
4-PENTENE-2-OL	5	10	0	1	0	0	0	0	86	0.837	1.4237	116	999	0	0	0	0	0	0	0	""	A2	F1-140C	A1-131D	8PI	45	43	41	27	0	0	3	1
4-PENTEN-1-OL	5	10	0	1	0	0	0	0	86	0.834	1.4289	137	999	0	0	0	0	0	0	0	""	A2	F1-140B	A1-131C	8PI	67	68	41	39	0	0	3	1
HEXANE	6	14	0	0	0	0	0	0	86	0.659	1.3749	69	-95	0	0	0	0	0	0	0	""	A1	F1-1B	S-3431	8PI	57	43	41	29	0	0	1	0
2-METHYLPENTANE	6	14	0	0	0	0	0	0	86	0.653	1.3714	60	-154	0	0	0	0	0	0	0	""	A1	F1-8C	A1-14B	8PI	43	42	41	71	0	0	1	0
3-METHYLPENTANE	6	14	0	0	0	0	0	0	86	0.664	1.3765	63	999	0	0	0	0	0	0	0	""	A1	F1-8D	A1-14C	8PI	57	56	41	29	0	0	1	0
2,2-DIMETHYLBUTANE	6	14	0	0	0	0	0	0	86	0.649	1.3688	50	-100	0	0	0	0	0	0	0	""	A1	F1-9D	A1-15D	8PI	43	57	71	41	0	0	1	0
2,3-DIMETHYLBUTANE	6	14	0	0	0	0	0	0	86	0.662	1.3750	58	-129	0	0	0	0	0	0	0	""	A1	F1-10A	A1-16A	8PI	43	42	41	27	0	0	1	0
BUTYRAMIDE	4	9	1	1	0	0	0	0	87	1.032	0.0000	216	116	0	0	0	0	0	0	0	""	A2	F1-747D	A1-629D	8PI	59	44	43	72	1	0	1	1
N,N-DIMETHYLACETAMIDE	4	9	1	1	0	0	0	0	87	0.937	1.4375	166	-20	0	0	0	0	0	0	0	""	A2	F1-760D	S-8875	8PI	44	43	87	42	1	0	1	0
ISOBUTYRAMIDE	4	9	1	1	0	0	0	0	87	1.013	0.0000	220	129	0	0	0	0	0	0	0	""	A2	F1-748A	A1-610A	8PI	44	43	72	41	1	0	1	1
1-AMINOPENTANE	5	13	1	0	0	0	0	0	87	0.755	1.4118	104	-55	0	0	0	0	0	0	0	""	M3	F1-281B	S-9177	8PI	30	87	41	28	0	0	1	1
TERT-AMYLAMINE	5	13	1	0	0	0	0	0	87	0.746	1.3996	77	999	0	0	0	0	0	0	0	""	A2	F1-286B	A1-246D	8PI	58	72	55	42	0	0	1	1
ISOAMYLAMINE	5	13	1	0	0	0	0	0	87	0.751	1.4089	97	999	0	0	0	0	0	0	0	""	A2	F1-286D	A1-245A	8PI	30	70	41	87	0	0	1	1
2-METHYLBUTYLAMINE	5	13	1	0	0	0	0	0	87	0.738	1.4116	97	999	0	0	0	0	0	0	0	""	A2	F1-287A	A1-244D	8PI	41	39	42	56	0	0	1	1
1-METHYLBUTYLAMINE	5	13	1	0	0	0	0	0	87	0.736	1.4029	92	999	0	0	0	0	0	0	0	""	A2	F1-285A	A1-243C	8PI	44	58	30	41	0	0	1	1
NEOPENTYLAMINE	5	13	1	0	0	0	0	0	87	0.745	1.4030	83	999	0	0	0	0	0	0	0	""	A2	F1-286C	A1-245D	""	0	0	0	0	0	0	1	1
2-METHYLPROPANOIC_ACID	4	8	0	2	0	0	0	0	88	0.948	1.3930	155	-46	0	0	0	0	0	0	0	""	A1	F1-487C	S-54	8PI	43	41	73	27	1	0	1	1
BUTANOIC_ACID	4	8	0	2	0	0	0	0	88	0.958	1.3980	163	-5	0	0	0	0	0	0	0	""	A1	F1-482A	A1-419D	8PI	60	27	73	42	1	0	1	1
METHYL_PROPIONATE	4	8	0	2	0	0	0	0	88	0.915	1.3770	79	-88	0	0	0	0	0	0	0	""	A2	F1-603D	A1-510B	8PI	57	29	59	88	1	0	1	0
ETHYL_ACETATE	4	8	0	2	0	0	0	0	88	0.902	1.3720	77	-84	0	0	0	0	0	0	0	""	A2	F1-600B	S-10291	8PI	43	61	45	70	1	0	1	0
2-METHYL-1-BUTANOL	5	12	0	1	0	0	0	0	88	0.819	1.4107	129	999	0	0	0	0	0	0	0	""	A1	F1-115B	A1-107A	8PI	57	56	41	29	0	0	1	1
2,2-DIMETHYL-1-PROPANOL	5	12	0	1	0	0	0	0	88	0.000	0.0000	113	50	0	0	0	0	0	0	0	""	A1	F1-115A	A1-106D	8PI	57	41	56	29	0	0	1	1
3-METHYL-2-BUTANOL	5	12	0	1	0	0	0	0	88	0.818	1.4097	112	999	0	0	0	0	0	0	0	""	A1	F1-122C	A1-114D	8PI	45	44	73	43	0	0	1	1
2-METHYL-2-BUTANOL	5	12	0	1	0	0	0	0	88	0.810	1.4048	102	-8	0	0	0	0	0	0	0	""	A1	F1-125D	S-7048	8PI	59	73	43	41	0	0	1	1
3-METHYL-1-BUTANOL	5	12	0	1	0	0	0	0	88	0.810	1.4070	131	999	0	0	0	0	0	0	0	""	A1	F1-115C	A1-107B	8PI	55	41	42	70	0	0	1	1
3-PENTANOL	5	12	0	1	0	0	0	0	88	0.821	1.4103	116	999	0	0	0	0	0	0	0	""	A1	F1-119A	A1-110D	8PI	59	31	41	29	0	0	1	1
2-PENTANOL	5	12	0	1	0	0	0	0	88	0.809	1.4064	120	999	0	0	0	0	0	0	0	""	A1	F1-118D	A1-110C	8PI	45	43	55	73	0	0	1	1
1-PENTANOL	5	12	0	1	0	0	0	0	88	0.815	1.4099	138	-78	0	0	0	0	0	0	0	""	A1	F1-110B	A1-102A	8PI	42	55	41	70	0	0	1	1
METHYL_ISOBUTYL_ETHER	5	12	0	1	0	0	0	0	88	0.731	1.3670	58	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	45	41	29	27	0	0	1	0
METHYL_TERT-BUTYL_ETHER	5	12	0	1	0	0	0	0	88	0.741	1.3690	55	-109	0	0	0	0	0	0	0	""	A1	A-124D	A1-174A	8PI	73	57	41	43	0	0	1	0
ETHYL_PROPYL_ETHER	5	12	0	1	0	0	0	0	88	0.732	1.3695	64	-127	0	0	0	0	0	0	0	""	A1	S-56274	S-29051	8PI	31	59	43	88	0	0	1	0
ETHYL_ISOPROPYL_ETHER	5	12	0	1	0	0	0	0	88	0.721	1.3627	53	999	0	0	0	0	0	0	0	""	A1	""	S-16695	8PI	45	43	73	27	0	0	1	0
METHYL_BUTYL_ETHER	5	12	0	1	0	0	0	0	88	0.744	1.3737	70	-115	0	0	0	0	0	0	0	""	A1	F1-203C	S-23269	8PI	45	56	41	29	0	0	1	0
METHYL_SEC-BUTYL_ETHER	5	12	0	1	0	0	0	0	88	0.712	1.3729	59	999	0	0	0	0	0	0	0	""	A1	S-55353	S-28271	8PI	45	29	27	41	0	0	1	0
3-CHLOROPROPIONITRILE	3	4	1	0	1	0	0	0	89	1.144	1.4379	175	-50	0	0	0	0	0	0	0	""	A2	F1-849B	A1-706D	8PI	49	54	51	89	0	0	1	0
1-NITROPROPANE	3	7	1	2	0	0	0	0	89	0.998	1.4015	132	999	0	0	0	0	0	0	0	""	A2	F1-399C	V-42	8PI	43	27	41	39	0	0	1	0
2-NITROPROPANE	3	7	1	2	0	0	0	0	89	0.992	1.3945	120	-93	0	0	0	0	0	0	0	""	A2	F1-400C	A1-352D	8PI	43	41	27	39	0	0	1	0
DIMETHYL_CARBONATE	3	6	0	3	0	0	0	0	90	1.069	1.3682	90	3	0	0	0	0	0	0	0	""	A2	F1-610D	A1-516C	8PI	45	59	31	90	1	0	1	0
3-CHLORO-2-METHYLPROPENE	4	7	0	0	1	0	0	0	90	0.927	1.4290	72	999	0	0	0	0	0	0	0	""	B	F1-96D	A1-89C	8PI	55	39	27	90	0	0	3	0
1-CHLORO-2-METHYLPROPENE	4	7	0	0	1	0	0	0	90	0.920	1.4225	68	999	0	0	0	0	0	0	0	""	A2	F1-97A	A1-89D	REG	55	90	39	75	0	0	3	0
3-CHLORO-1-BUTENE	4	7	0	0	1	0	0	0	90	0.900	1.4155	64	999	0	0	0	0	0	0	0	""	A2	F1-96C	A1-88D	8PI	55	28	27	39	0	0	3	0
2-BUTANETHIOL	4	10	0	0	0	0	0	1	90	0.830	1.4367	85	-140	0	0	0	0	0	0	0	""	A1	F1-258B	S-3437	8PI	57	41	61	29	0	0	1	0
METHYL_PROPYL_SULFIDE	4	10	0	0	0	0	0	1	90	0.842	1.4442	96	-113	0	0	0	0	0	0	0	""	A1	""	""	8PI	61	90	48	41	0	0	1	0
DIETHYL_SULFIDE	4	10	0	0	0	0	0	1	90	0.836	1.4430	92	-104	213	16200	248	620	0	0	3	A_I/7	A1	F1-265B	S-10215	8PI	75	90	47	62	0	0	1	0
METHYL_ISOPROPYL_SULFIDE	4	10	0	0	0	0	0	1	90	0.829	1.4392	85	-102	0	0	0	0	0	0	0	""	A1	""	""	8PI	41	75	90	43	0	0	1	0
1-BUTANETHIOL	4	10	0	0	0	0	0	1	90	0.842	1.4430	98	-116	0	0	0	0	0	0	0	""	A1	F1-255C	S-274	8PI	56	41	90	47	0	0	1	0
2-METHYL-1-PROPANETHIOL	4	10	0	0	0	0	0	1	90	0.834	1.4388	88	-145	0	0	0	0	0	0	0	""	A1	F1-258A	S-3410	8PI	41	43	90	56	0	0	1	0
2-METHYL-2-PROPANETHIOL	4	10	0	0	0	0	0	1	90	0.800	1.4232	64	1	0	0	0	0	0	0	0	""	A1	F1-258C	S-3438	8PI	41	57	29	90	0	0	1	0
ACETALDEHYDE_DIMETHYL_ACETAL	4	10	0	2	0	0	0	0	90	0.852	1.3668	64	999	0	0	0	0	0	0	0	""	A2	F1-214A	A1-183B	8PI	59	29	31	75	0	0	1	0
1,2-BUTANEDIOL	4	10	0	2	0	0	0	0	90	1.006	1.4380	999	999	0	0	0	0	0	0	0	""	A2	F1-130B	A1-120D	8PI	59	31	45	41	0	0	1	1
1,3-BUTANEDIOL	4	10	0	2	0	0	0	0	90	1.005	1.4395	204	999	0	0	0	0	0	0	0	""	A2	F1-130D	S-10176	8PI	43	45	72	28	0	0	1	1
1,4-BUTANEDIOL	4	10	0	2	0	0	0	0	90	1.017	1.4450	230	16	0	0	0	0	0	0	0	""	A2	F1-130A	S-5127	8PI	42	44	31	41	0	0	1	1
2,3-BUTANEDIOL	4	10	0	2	0	0	0	0	90	0.995	1.4348	184	25	0	0	0	0	0	0	0	""	A2	F1-131C	A1-124A	8PI	45	29	43	27	0	0	1	1
1,2-DIMETHYOXYETHANE	4	10	0	2	0	0	0	0	90	0.867	1.3791	85	-58	0	0	0	0	0	0	0	""	A2	F1-206A	S-6235	8PI	45	29	60	90	0	0	1	0
2-ETHOXYETHANOL	4	10	0	2	0	0	0	0	90	0.930	1.4065	135	-90	0	0	0	0	0	0	0	""	A2	F1-223A	S-750	8PI	31	59	29	45	0	0	1	1
TERT-BUTYL_MERCAPTAN	4	10	0	0	0	0	0	1	90	0.800	1.4226	64	999	0	0	0	0	0	0	0	""	A2	F1-258C	A1-224D	8PI	41	57	28	90	0	0	1	0
ISOBUTYL_MERCAPTAN	4	10	0	0	0	0	0	1	90	2.831	1.4396	88	999	0	0	0	0	0	0	0	""	A2	F1-258A	A1-225D	8PI	41	43	90	56	0	0	1	0
2-CHLORO-2-METHYLPROPANE	4	9	0	0	1	0	0	0	92	0.842	1.3857	51	-25	0	0	0	0	0	0	0	""	M3	F1-67B	A1-69A	8PI	56	41	77	29	0	0	1	0
2-CHLOROBUTANE	4	9	0	0	1	0	0	0	92	0.873	1.3971	68	-131	0	0	0	0	0	0	0	""	M3	F1-66B	A1-68B	8PI	56	57	41	63	0	0	1	0
1-CHLOROBUTANE	4	9	0	0	1	0	0	0	92	0.886	1.4021	78	-123	0	0	0	0	0	0	0	""	M3	F1-56C	A1-60B	8PI	56	41	43	27	0	0	1	0
1-CHLORO-2-METHYLPROPANE	4	9	0	0	1	0	0	0	92	0.883	1.3975	69	-131	0	0	0	0	0	0	0	""	A2	F1-68C	A1-69D	8PI	43	42	41	27	0	0	1	0
TOLUENE	7	8	0	0	0	0	0	0	92	0.867	1.4969	111	-95	208	7900	262	260	269	240	3	S-155	A1	F1-931B	A1-733B	8PI	91	92	39	65	0	1	3	0
2,5-NORBORNADIENE	7	8	0	0	0	0	0	0	92	0.854	1.4707	89	999	0	0	0	0	0	0	0	""	A2	F1-53A	A1-57A	8PI	91	92	66	39	0	0	3	0
CYCLOHEPTATRIENE	7	8	0	0	0	0	0	0	92	0.888	1.5211	117	999	261	2660	0	0	0	0	1	S29634	A2	F1-49A	A1-50D	8PI	91	92	39	65	0	0	3	0
ANILINE	6	7	1	0	0	0	0	0	93	1.022	1.5863	184	-6	234	10064	287	1960	0	0	2	S-1129	M1	F1-1189A	A1-987A	8PI	93	66	65	39	0	1	2	1
3-CHLORO-1-PROPANOL	3	7	0	1	1	0	0	0	94	1.131	1.4460	161	999	0	0	0	0	0	0	0	""	A2	F1-174A	A1-164D	8PI	31	58	28	57	0	0	1	1
GLUTARONITRILE	5	6	2	0	0	0	0	0	94	0.995	1.4345	286	-29	0	0	0	0	0	0	0	""	A2	F1-841A	A1-699B	8PI	54	41	28	27	0	0	1	0
PHENOL	6	6	0	1	0	0	0	0	94	1.058	1.5418	182	41	211	6000	265	1450	278	2100	3	S-258	M1	F1-1069A	A1-867A	8PI	94	39	66	65	0	1	2	1
1,3-CYCLOHEPTADIENE	7	10	0	0	0	0	0	0	94	0.868	1.4978	121	999	248	9000	0	0	0	0	3	L-9	A2	F1-48B	A1-50C	8PI	79	94	77	39	0	0	3	0
TRANS-1,2-DICHLOROETHYLENE	2	2	0	0	2	0	0	0	96	1.257	1.4456	48	-50	200	10800	0	0	0	0	3	A_A1/5	A2	F1-97D	A1-90A	8PI	61	96	98	63	0	0	2	0
CIS-1,2-DICHLOROETHYLENE	2	2	0	0	2	0	0	0	96	1.284	1.4481	60	-80	193	11000	0	0	0	0	3	S36814	A2	F1-98A	""	8PI	61	96	98	63	0	0	2	0
4-ETHYLCYCLOPENTENE	7	12	0	0	0	0	0	0	96	0.783	1.4310	98	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
1,2-DIMETHYLCYCLOPENTENE	7	12	0	0	0	0	0	0	96	0.798	1.4448	106	-90	0	0	0	0	0	0	0	""	A1	S-16056	S-8173	""	0	0	0	0	0	0	1	0
1,4-DIMETHYLCYCLOPENTENE	7	12	0	0	0	0	0	0	96	0.771	1.4283	93	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
1,5-DIMETHYLCYCLOPENTENE	7	12	0	0	0	0	0	0	96	0.780	1.4331	102	-118	0	0	0	0	0	0	0	""	A1	""	""	8PI	81	39	96	41	0	0	3	0
1-ETHYLCYCLOPENTENE	7	12	0	0	0	0	0	0	96	0.798	1.4412	106	-118	0	0	0	0	0	0	0	""	A1	S-16069	S-8187	8PI	67	39	27	96	0	0	3	0
1-METHYLCYCLOHEXENE	7	12	0	0	0	0	0	0	96	0.811	1.4505	110	-120	0	0	0	0	0	0	0	""	A1	F1-42C	A1-46B	8PI	81	68	67	96	0	0	3	0
3-METHYLCYCLOHEXENE	7	12	0	0	0	0	0	0	96	0.801	1.4435	102	-124	0	0	0	0	0	0	0	""	A1	F1-42D	A1-46C	8PI	81	68	67	55	0	0	3	0
4-METHYLCYCLOHEXENE	7	12	0	0	0	0	0	0	96	0.799	1.4414	103	-115	0	0	0	0	0	0	0	""	A1	F1-43A	A1-46D	8PI	81	54	55	67	0	0	3	0
3-ETHYLCYCLOPENTENE	7	12	0	0	0	0	0	0	96	0.783	1.4315	98	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	67	39	41	96	0	0	3	0
5-METHYL-2-HEXYNE	7	12	0	0	0	0	0	0	96	0.738	1.4176	102	-93	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	81	96	39	0	0	1	0
3-ETHYL-1-PENTYNE	7	12	0	0	0	0	0	0	96	0.727	1.4035	84	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
3,3-DIMETHYL-1-PENTYNE	7	12	0	0	0	0	0	0	96	0.708	1.3934	70	999	0	0	0	0	0	0	0	""	A1	""	S-23481		0	0	0	0	0	0	3	0
4-METHYL-2-HEXYNE	7	12	0	0	0	0	0	0	96	0.739	1.4170	100	-108	0	0	0	0	0	0	0	""	A1	""	""	8PI	81	67	41	39	0	0	1	0
2-HEPTYNE	7	12	0	0	0	0	0	0	96	0.748	1.4230	112	999	0	0	0	0	0	0	0	""	A1	S-67014	S-40011	8PI	81	41	54	27	0	0	1	0
4,4-DIMETHYL-1-PENTYNE	7	12	0	0	0	0	0	0	96	0.714	1.3983	76	-75	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
3-METHYL-1-HEXYNE	7	12	0	0	0	0	0	0	96	0.719	1.4001	85	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
4-METHYL-1-HEXYNE	7	12	0	0	0	0	0	0	96	0.733	1.4076	91	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
5-METHYL-1-HEXYNE	7	12	0	0	0	0	0	0	96	0.727	1.4049	92	-124	0	0	0	0	0	0	0	""	A1	""	S-23389	8PI	81	41	39	56	0	0	3	0
3-HEPTYNE	7	12	0	0	0	0	0	0	96	0.738	1.4189	107	-131	0	0	0	0	0	0	0	""	A1	S-67015	S-40012	8PI	81	41	67	96	0	0	1	0
4,4-DIMETHYL-2-PENTYNE	7	12	0	0	0	0	0	0	96	0.718	1.4071	83	999	0	0	0	0	0	0	0	""	A1	S-16049	S-8164	""	0	0	0	0	0	0	1	0
2-METHYL-3-HEXYNE	7	12	0	0	0	0	0	0	96	0.725	1.4120	95	-117	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-HEPTYNE	7	12	0	0	0	0	0	0	96	0.733	1.4087	100	-81	0	0	0	0	0	0	0	""	A1	F2-931D	A2-949B	8PI	81	41	29	39	0	0	3	0
3,4-DIMETHYL-1-PENTYNE	7	12	0	0	0	0	0	0	96	0.724	1.4018	80	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
CYCLOHEPTENE	7	12	0	0	0	0	0	0	96	0.824	1.4585	115	999	0	0	0	0	0	0	0	""	A2	F1-41A	A1-45B	8PI	54	67	39	81	0	0	3	0
1,6-HEPTADIENE	7	12	0	0	0	0	0	0	96	0.714	1.4137	90	-129	0	0	0	0	0	0	0	""	A2	F1-29C	""	8PI	54	39	55	27	0	0	3	0
2-METHYL-1,5-HEXADIENE	7	12	0	0	0	0	0	0	96	0.712	1.4175	92	999	0	0	0	0	0	0	0	""	A2	F1-31D	S-21372	8PI	55	81	39	27	0	0	3	0
3-METHYL-1,5-HEXADIENE	7	12	0	0	0	0	0	0	96	0.710	1.4100	80	999	0	0	0	0	0	0	0	""	A2	F1-31B	FA1-31B	8PI	55	81	29	39	0	0	3	0
METHYLENECYCLOHEXANE	7	12	0	0	0	0	0	0	96	0.781	1.4354	103	999	0	0	0	0	0	0	0	""	A2	F1-44A	V-132	8PI	81	67	96	68	0	0	3	0
2,4-DIMETHYL-1,3-PENTADIENE	7	12	0	0	0	0	0	0	96	0.744	1.4412	94	999	231	10000	0	0	0	0	2	L-7	A2	F1-32B	A1-36A	8PI	81	96	39	41	0	0	3	0
PENTYL_CYANIDE	6	11	1	0	0	0	0	0	97	0.805	1.4068	164	-80	0	0	0	0	0	0	0	""	M3	F1-838C	A1-696B	8PI	41	54	55	68	0	0	1	0
1,2-DICHLOROETHANE	2	4	0	0	2	0	0	0	98	1.253	1.4448	83	-36	0	0	0	0	0	0	0	""	M3	F1-72A	S-7304	8PI	62	27	49	64	0	0	1	0
1,1-DICHLOROETHANE	2	4	0	0	2	0	0	0	98	1.176	1.4164	57	-97	0	0	0	0	0	0	0	""	M3	F1-80A	A1-79D	8PI	63	27	65	83	0	0	1	0
ALLYL_ETHER	6	10	0	1	0	0	0	0	98	0.803	1.4158	95	999	0	0	0	0	0	0	0	""	A2	F1-212D	V-134	8PI	41	39	42	56	0	0	3	0
CYCLOHEXANONE	6	10	0	1	0	0	0	0	98	0.947	1.4500	155	-47	276	26	280	27	0	0	1	S-65	A2	F1-432C	A1-394C	8PI	55	42	98	41	1	0	1	0
TRANS-2-HEXENAL	6	10	0	1	0	0	0	0	98	0.846	1.4455	47	999	220	12600	303	591	0	0	1	S28687	A2	F1-472D	A1-362B	8PI	41	69	55	83	1	0	3	0
4-HEXEN-3-ONE	6	10	0	1	0	0	0	0	98	0.858	1.4398	137	999	0	0	0	0	0	0	0	""	A2	""	""	8PI	59	41	98	29	1	0	3	0
5-HEXEN-2-ONE	6	10	0	1	0	0	0	0	98	0.847	1.4197	129	999	0	0	0	0	0	0	0	""	A2	F1-415B	S-6274	8PI	43	55	39	98	1	0	3	0
3-HEXYN-1-OL	6	10	0	1	0	0	0	0	98	0.898	1.4530	64	999	0	0	0	0	0	0	0	""	A2	F2-938B	A2-955B	8PI	68	67	41	53	0	0	1	1
MESITYL_OXIDE	6	10	0	1	0	0	0	0	98	0.858	1.4440	129	-53	237	12600	314	58	0	0	1	S-41	A2	F1-414D	A1-378B	8PI	83	55	98	43	1	0	3	0
3-METHYLCYCLOPENTANONE	6	10	0	1	0	0	0	0	98	0.913	1.4341	145	999	0	0	0	0	0	0	0	""	A2	F1-431C	A1-393C	8PI	42	55	69	98	1	0	1	0
3-METHYL-1-PENTYN-3-OL	6	10	0	1	0	0	0	0	98	0.866	1.4311	122	999	0	0	0	0	0	0	0	""	A2	F2-937B	A2-954C	8PI	69	43	27	83	0	0	3	1
TRANS-1,2-DIMETHYLCYCLOPENTANE	7	14	0	0	0	0	0	0	98	0.751	1.4120	92	-118	0	0	0	0	0	0	0	""	A1	""	""	8PI	56	70	41	55	0	0	1	0
TRANS-1,3-DIMETHYLCYCLOPENTANE	7	14	0	0	0	0	0	0	98	0.749	1.4107	92	-134	0	0	0	0	0	0	0	""	A1	""	""	8PI	56	70	41	55	0	0	1	0
CIS-1,3-DIMETHYLCYCLOPENTANE	7	14	0	0	0	0	0	0	98	0.745	1.4089	91	-134	0	0	0	0	0	0	0	""	A1	S-54929	S-27072	8PI	56	70	41	55	0	0	1	0
CIS-1,2-DIMETHYLCYCLOPENTANE	7	14	0	0	0	0	0	0	98	0.773	1.4222	100	-54	0	0	0	0	0	0	0	""	A1	""	""	8PI	56	70	55	42	0	0	1	0
1,1-DIMETHYLCYCLOPENTANE	7	14	0	0	0	0	0	0	98	0.754	1.4136	88	-70	0	0	0	0	0	0	0	""	A1	S-64975	S-37631	8PI	56	55	69	41	0	0	1	0
ETHYLCYCLOPENTANE	7	14	0	0	0	0	0	0	98	0.766	1.4198	103	-138	0	0	0	0	0	0	0	""	A1	F1-35A	A1-38C	8PI	69	68	41	70	0	0	1	0
METHYLCYCLOHEXANE	7	14	0	0	0	0	0	0	98	0.769	1.4231	101	-127	0	0	0	0	0	0	0	""	A1	F1-35B	A1-38D	8PI	83	55	41	98	0	0	1	0
CYCLOHEPTANE	7	14	0	0	0	0	0	0	98	0.811	1.4449	119	-8	0	0	0	0	0	0	0	""	A1	F1-34A	A1-37B	8PI	41	56	55	42	0	0	1	0
2-METHYL-2-HEXENE	7	14	0	0	0	0	0	0	98	0.708	1.4106	95	-130	0	0	0	0	0	0	0	""	A1	S-16769	S-8004	HB	69	41	56	98	0	0	3	0
3-METHYL-TRANS-3-HEXENE	7	14	0	0	0	0	0	0	98	0.710	1.4109	94	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	69	41	55	39	0	0	3	0
2-METHYL-CIS-3-HEXENE	7	14	0	0	0	0	0	0	98	0.694	1.4010	86	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
2,3,3-TRIMETHYL-1-BUTENE	7	14	0	0	0	0	0	0	98	0.705	1.4028	78	-110	0	0	0	0	0	0	0	""	A1	F1-25C	A1-28A	8PI	83	55	41	39	0	0	3	0
2-METHYL-TRANS-3-HEXENE	7	14	0	0	0	0	0	0	98	0.690	1.4001	86	-142	0	0	0	0	0	0	0	""	A1	""	""	8PI	69	41	55	56	0	0	3	0
CIS-2-HEPTENE	7	14	0	0	0	0	0	0	98	0.707	1.4069	98	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	41	56	55	69	0	0	3	0
3-METHYL-CIS-3-HEXENE	7	14	0	0	0	0	0	0	98	0.713	1.4126	95	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	69	41	39	98	0	0	3	0
CIS-3-HEPTENE	7	14	0	0	0	0	0	0	98	0.703	1.4059	96	999	0	0	0	0	0	0	0	""	A1	F1-18C	""	""	0	0	0	0	0	0	3	0
TRANS-3-HEPTENE	7	14	0	0	0	0	0	0	98	0.698	1.4044	96	-137	0	0	0	0	0	0	0	""	A1	F1-18D	S-8001	8PI	41	56	69	55	0	0	3	0
2-METHYL-1-HEXENE	7	14	0	0	0	0	0	0	98	0.703	1.4035	92	-103	0	0	0	0	0	0	0	""	A1	F1-23D	A1-29A	8PI	56	41	27	39	0	0	3	0
3-METHYL-1-HEXENE	7	14	0	0	0	0	0	0	98	0.691	1.3965	84	999	0	0	0	0	0	0	0	""	A1	F1-24A	A1-27B	8PI	55	41	69	56	0	0	3	0
2-ETHYL-1-PENTENE	7	14	0	0	0	0	0	0	98	0.708	1.4050	94	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
5-METHYL-1-HEXENE	7	14	0	0	0	0	0	0	98	0.692	1.3967	85	999	0	0	0	0	0	0	0	""	A1	S-48375	S-2785	8PI	56	41	55	57	0	0	3	0
3-ETHYL-1-PENTENE	7	14	0	0	0	0	0	0	98	0.696	1.3982	84	-127	0	0	0	0	0	0	0	""	A1	S-23695	S-14301	8PI	41	69	39	55	0	0	3	0
3-METHYL-CIS-2-HEXENE	7	14	0	0	0	0	0	0	98	0.716	1.4126	97	-119	0	0	0	0	0	0	0	""	A1	S-16770	S-8005	8PI	41	69	55	39	0	0	3	0
4,4-DIMETHYL-TRANS-2-PENTENE	7	14	0	0	0	0	0	0	98	0.689	1.3981	77	-115	0	0	0	0	0	0	0	""	A1	S-23690	S-14298	8PI	83	55	41	98	0	0	3	0
2,3-DIMETHYL-1-PENTENE	7	14	0	0	0	0	0	0	98	0.705	1.4033	84	-134	0	0	0	0	0	0	0	""	A1	""	""	8PI	41	69	55	70	0	0	3	0
4-METHYL-CIS-2-HEXENE	7	14	0	0	0	0	0	0	98	0.700	1.4026	86	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	69	41	55	39	0	0	3	0
2,4-DIMETHYL-1-PENTENE	7	14	0	0	0	0	0	0	98	0.694	1.3985	82	-124	0	0	0	0	0	0	0	""	A1	S-9005	S-4315	8PI	56	43	41	39	0	0	3	0
5-METHYL-CIS-2-HEXENE	7	14	0	0	0	0	0	0	98	0.702	1.4040	90	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
3,3-DIMETHYL-1-PENTENE	7	14	0	0	0	0	0	0	98	0.697	1.3984	77	-134	0	0	0	0	0	0	0	""	A1	S-56259	""	8PI	69	41	55	27	0	0	3	0
1-HEPTENE	7	14	0	0	0	0	0	0	98	0.697	1.3998	94	-119	0	0	0	0	0	0	0	""	A1	F1-13D	A1-20C	8PI	56	41	55	42	0	0	3	0
3,4-DIMETHYL-1-PENTENE	7	14	0	0	0	0	0	0	98	0.698	1.3992	81	999	0	0	0	0	0	0	0	""	A1	S-56260	S-29039	8PI	56	55	43	41	0	0	3	0
3-METHYL-2-ETHYL-1-BUTENE	7	14	0	0	0	0	0	0	98	0.709	1.4052	86	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	41	69	55	39	0	0	3	0
4,4-DIMETHYL-1-PENTENE	7	14	0	0	0	0	0	0	98	0.682	1.3917	73	-137	0	0	0	0	0	0	0	""	A1	S-36533	S-5319	8PI	57	41	29	55	0	0	3	0
2-METHYL-2-HEXENE	7	14	0	0	0	0	0	0	98	0.708	1.4106	95	-130	0	0	0	0	0	0	0	""	A1	S-16769	S-8004	8PI	69	41	98	56	0	0	3	0
3-ETHYL-2-PENTENE	7	14	0	0	0	0	0	0	98	0.720	1.4148	96	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	41	69	55	39	0	0	3	0
4-METHYL-TRANS-2-HEXENE	7	14	0	0	0	0	0	0	98	0.697	1.4025	88	-126	0	0	0	0	0	0	0	""	A1	""	""	8PI	69	41	55	39	0	0	3	0
TRANS-2-HEPTENE	7	14	0	0	0	0	0	0	98	0.701	1.4045	98	-109	0	0	0	0	0	0	0	""	A1	F1-18B	A1-25A	8PI	55	56	41	69	0	0	3	0
4-METHYL-1-HEXENE	7	14	0	0	0	0	0	0	98	0.699	1.4000	87	-141	0	0	0	0	0	0	0	""	A1	S-16771	S-19672	8PI	41	57	56	29	0	0	3	0
3-METHYL-TRANS-2-HEXENE	7	14	0	0	0	0	0	0	98	0.714	1.4118	95	-129	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
5-METHYL-TRANS-2-HEXENE	7	14	0	0	0	0	0	0	98	0.693	1.4006	88	-124	0	0	0	0	0	0	0	""	A1	""	""	HB	56	43	55	41	0	0	3	0
2,3-DIMETHYL-2-PENTENE	7	14	0	0	0	0	0	0	98	0.728	1.4211	97	-118	0	0	0	0	0	0	0	""	A1	S-56261	S-29040	8PI	83	55	41	98	0	0	1	0
2,4-DIMETHYL-2-PENTENE	7	14	0	0	0	0	0	0	98	0.695	1.4037	83	-128	0	0	0	0	0	0	0	""	A1	S-9006	S-4316	8PI	83	55	41	98	0	0	3	0
3,4-DIMETHYL-CIS-2-PENTENE	7	14	0	0	0	0	0	0	98	0.714	1.4104	89	-114	0	0	0	0	0	0	0	""	A1	""	S-29041	8PI	83	55	41	98	0	0	3	0
3,4-DIMETHYL-TRANS-2-PENTENE	7	14	0	0	0	0	0	0	98	0.717	1.4128	92	-124	0	0	0	0	0	0	0	""	A1	S-56262	""	8PI	83	55	41	98	0	0	3	0
4,4-DIMETHYL-CIS-2-PENTENE	7	14	0	0	0	0	0	0	98	0.699	1.4026	80	-135	0	0	0	0	0	0	0	""	A1	S-23689	S-14297	8PI	83	55	41	98	0	0	3	0
METHYL_CYANOACETATE	4	5	1	2	0	0	0	0	99	1.123	1.4174	207	-13	0	0	0	0	0	0	0	""	A2	F1-864C	A1-717C	8PI	59	68	40	28	1	0	1	0
3-ETHOXYPROPIONITRILE	5	9	1	1	0	0	0	0	99	0.911	1.4065	172	999	0	0	0	0	0	0	0	""	A2	F1-853C	S-4933	8PI	31	54	29	59	0	0	1	0
CYCLOHEXYLAMINE	6	13	1	0	0	0	0	0	99	0.867	1.4585	134	-17	0	0	0	0	0	0	0	""	A2	F1-314B	S-6937	8PI	56	30	43	99	0	0	1	1
ALLYL_ACETATE	5	8	0	2	0	0	0	0	100	0.928	1.4042	104	999	0	0	0	0	0	0	0	""	A2	F1-633B	A1-534C	8PI	43	58	41	39	1	0	3	0
ISOPROPENYL_ACETATE	5	8	0	2	0	0	0	0	100	0.909	1.4005	94	999	0	0	0	0	0	0	0	""	A2	F1-633A	V-440	8PI	43	58	41	39	1	0	3	0
METHYL_CROTONATE	5	8	0	2	0	0	0	0	100	0.944	1.4233	120	999	205	16500	0	0	0	0	4	L-10	A2	F1-641C	A1-540D	8PI	69	41	39	85	1	0	3	0
METHYL_METHACRYLATE	5	8	0	2	0	0	0	0	100	0.936	1.4140	100	-48	0	0	0	0	0	0	0	""	A2	F1-640C	A1-539A	8PI	41	69	39	100	1	0	3	0
2,4-PENTANEDIONE	5	8	0	2	0	0	0	0	100	0.957	1.4510	140	-23	272	6800	0	0	0	0	1	S-1615	A2	F1-425A	A1-388B	8PI	43	85	100	27	1	0	1	0
2,3-PENTANEDIONE	5	8	0	2	0	0	0	0	100	0.957	1.4039	112	-52	268	401	0	0	0	0	1	s28882	A2	F1-424A	A1-387A	8PI	43	29	57	27	1	0	1	0
ETHYL_ACRYLATE	5	8	0	2	0	0	0	0	100	0.924	1.4049	99	-71	208	3000	0	0	0	0	4	L-13	A2	F1-638C	A1-537B	8PI	55	27	56	45	1	0	3	0
3-METHYLPENTANAL	6	12	0	1	0	0	0	0	100	0.805	1.3980	122	999	0	0	0	0	0	0	0	""	A1	S-7874	S-35764	REG	56	41	43	44	1	0	1	0
2-METHYLPENTANAL	6	12	0	1	0	0	0	0	100	0.809	1.4010	117	999	0	0	0	0	0	0	0	""	A1	F1-467C	S-4387	8PI	43	58	41	71	1	0	1	0
HEXANAL	6	12	0	1	0	0	0	0	100	0.814	1.4040	129	-56	0	0	0	0	0	0	0	""	A1	F1-468A	A1-359C	8PI	44	56	43	41	1	0	1	0
3,3-DIMETHYL-2-BUTANONE	6	12	0	1	0	0	0	0	100	0.806	1.3968	106	-52	288	21	0	0	0	0	3	A_B1/1	A1	F1-405D	A1-370A	8PI	57	41	43	100	1	0	1	0
3-HEXANONE	6	12	0	1	0	0	0	0	100	0.816	1.4003	123	999	0	0	0	0	0	0	0	""	A1	F1-408B	A1-371D	8PI	43	57	29	71	1	0	1	0
2-METHYL-3-PENTANONE	6	12	0	1	0	0	0	0	100	0.811	1.3981	115	999	0	0	0	0	0	0	0	""	A1	F1-407B	S-37674	8PI	57	43	29	100	1	0	1	0
4-METHYL-2-PENTANONE	6	12	0	1	0	0	0	0	100	0.801	1.3957	116	-84	0	0	0	0	0	0	0	""	A1	F1-407A	S-10201	8PI	43	58	41	57	1	0	1	0
2-HEXANONE	6	12	0	1	0	0	0	0	100	0.811	1.4007	128	-56	0	0	0	0	0	0	0	""	A1	F1-408A	A1-371C	8PI	43	58	41	29	1	0	1	0
3-METHYL-2-PENTANONE	6	12	0	1	0	0	0	0	100	0.813	1.4001	117	999	0	0	0	0	0	0	0	""	A1	F1-406D	A1-370C	8PI	43	41	57	72	1	0	1	0
CYCLOHEXANOL	6	12	0	1	0	0	0	0	100	0.963	1.4641	160	21	0	0	0	0	0	0	0	""	A2	F1-157C	A1-146C	8PI	57	67	82	41	0	0	1	1
1-HEXEN-3-OL	6	12	0	1	0	0	0	0	100	0.834	1.4277	999	999	0	0	0	0	0	0	0	""	A2	F1-143A	A1-134B	8PI	57	55	43	72	0	0	3	1
TRANS-2-METHYLCYCLOPENTANOL	6	12	0	1	0	0	0	0	100	0.904	0.0000	151	999	0	0	0	0	0	0	0	""	A2	F1-152B	A1-145C	8PI	57	41	44	82	0	0	1	1
1-METHYCYCLOPENTANOL	6	12	0	1	0	0	0	0	100	0.904	0.0000	136	37	0	0	0	0	0	0	0	""	A2	F1-157B	A1-145A	""	0	0	0	0	0	0	1	1
BUTYL_VINYL_ETHER	6	12	0	1	0	0	0	0	100	0.774	1.4010	94	-92	0	0	0	0	0	0	0	""	A2	F1-213D	A1-182D	8PI	41	56	29	57	0	0	3	0
HEPTANE	7	16	0	0	0	0	0	0	100	0.684	1.3876	98	-91	0	0	0	0	0	0	0	""	A1	F1-1D	S-679	8PI	43	57	41	71	0	0	1	0
2-METHYLHEXANE	7	16	0	0	0	0	0	0	100	0.679	1.3849	90	-118	0	0	0	0	0	0	0	""	A1	F1-9A	A1-15A	8PI	43	42	41	85	0	0	1	0
3-METHYLHEXANE	7	16	0	0	0	0	0	0	100	0.687	1.3886	92	999	0	0	0	0	0	0	0	""	A1	F1-9B	A1-15B	8PI	43	57	71	41	0	0	1	0
3-ETHYLPENTANE	7	16	0	0	0	0	0	0	100	0.698	1.3934	93	-119	0	0	0	0	0	0	0	""	A1	S-23694	S-14300	8PI	43	71	70	29	0	0	1	0
2,2-DIMETHYLPENTANE	7	16	0	0	0	0	0	0	100	0.674	1.3822	79	-124	0	0	0	0	0	0	0	""	A1	F1-10B	A1-16B	8PI	57	43	41	56	0	0	1	0
2,3-DIMETHYLPENTANE	7	16	0	0	0	0	0	0	100	0.695	1.3920	90	999	0	0	0	0	0	0	0	""	A1	F1-10D	A1-16D	8PI	43	56	57	41	0	0	1	0
2,4-DIMETHYLPENTANE	7	16	0	0	0	0	0	0	100	0.673	1.3815	81	-119	0	0	0	0	0	0	0	""	A1	F1-11A	A1-17A	8PI	43	57	41	56	0	0	1	0
3,3-DIMETHYLPENTANE	7	16	0	0	0	0	0	0	100	0.693	1.3909	86	-134	0	0	0	0	0	0	0	""	A1	F1-10C	A1-16C	8PI	43	71	41	70	0	0	1	0
2,2,3-TRIMETHYLBUTANE	7	16	0	0	0	0	0	0	100	0.690	1.3894	81	-25	0	0	0	0	0	0	0	""	A1	F1-11C	A1-18C	8PI	57	43	56	41	0	0	1	0
1-AMINOHEXANE	6	15	1	0	0	0	0	0	101	0.766	1.4190	133	-23	0	0	0	0	0	0	0	""	M3	F1-281C	A1-239D	8PI	30	27	28	41	0	0	1	1
DIPROPYLAMINE	6	15	1	0	0	0	0	0	101	0.738	1.4051	109	-63	0	0	0	0	0	0	0	""	M3	F1-296B	S-17051	8PI	72	30	43	101	0	0	1	1
TRIETHYLAMINE	6	15	1	0	0	0	0	0	101	0.728	1.4010	90	-115	203	3100	0	0	0	0	1	A_I/11	M3	F1-300A	A1-258B	8PI	86	30	58	101	0	0	1	0
ACETIC_ANHYDRIDE	4	6	0	3	0	0	0	0	102	1.082	1.3890	139	-73	0	0	0	0	0	0	0	""	A2	F1-711A	A1-601A	8PI	43	42	28	45	1	0	1	0
METHYL_PYRUVATE	4	6	0	3	0	0	0	0	102	1.130	1.4065	137	999	0	0	0	0	0	0	0	""	A2	F1-684A	A1-576A	8PI	43	102	42	59	1	0	1	0
2,2-DIMETHYLPROPANOIC_ACID	5	10	0	2	0	0	0	0	102	0.000	0.0000	164	36	0	0	0	0	0	0	0	""	A1	F1-487D	S-16038	8PI	57	41	29	39	1	0	1	1
3-METHYLBUTANOIC_ACID	5	10	0	2	0	0	0	0	102	0.926	1.4032	177	-30	0	0	0	0	0	0	0	""	A1	F1-488A	A1-425B	8PI	60	43	41	45	1	0	1	1
PENTANOIC_ACID	5	10	0	2	0	0	0	0	102	0.939	1.4080	186	-34	0	0	0	0	0	0	0	""	A1	F1-482B	A1-420A	8PI	60	43	41	87	1	0	1	1
2-METHYLBUTANOIC_ACID	5	10	0	2	0	0	0	0	102	0.936	1.4051	177	999	0	0	0	0	0	0	0	""	A1	F1-488B	A1-425C	8PI	74	29	57	41	1	0	1	1
TERT-BUTYL_FORMATE	5	10	0	2	0	0	0	0	102	0.872	1.3790	83	999	0	0	0	0	0	0	0	""	A2	""	""	HB	59	57	41	29	1	0	1	0
BUTYL_FORMATE	5	10	0	2	0	0	0	0	102	0.892	1.3889	107	999	0	0	0	0	0	0	0	""	A2	F1-599C	S-12623	8PI	56	41	31	29	1	0	1	0
ETHYL_PROPIONATE	5	10	0	2	0	0	0	0	102	0.891	1.3835	99	-73	0	0	0	0	0	0	0	""	A2	F1-604A	A1-510C	8PI	57	29	75	102	1	0	1	0
ISOPROPYL_ACETATE	5	10	0	2	0	0	0	0	102	0.872	1.3770	85	999	0	0	0	0	0	0	0	""	A2	F1-601B	S-99	8PI	43	61	87	59	1	0	1	0
METHYL_BUTYRATE	5	10	0	2	0	0	0	0	102	0.898	1.3850	103	999	0	0	0	0	0	0	0	""	A2	F1-604C	A1-510D	8PI	74	43	71	59	1	0	1	0
METHYL_ISOBUTYRATE	5	10	0	2	0	0	0	0	102	0.891	1.3821	90	999	0	0	0	0	0	0	0	""	A2	F1-605A	A1-511B	8PI	43	71	41	59	1	0	1	0
PROPYL_ACETATE	5	10	0	2	0	0	0	0	102	0.888	1.3840	102	-95	0	0	0	0	0	0	0	""	A2	F1-601A	A1-508B	8PI	43	61	73	42	1	0	1	0
ISOBUTYL_FORMATE	5	10	0	2	0	0	0	0	102	0.885	1.3854	98	999	0	0	0	0	0	0	0	""	A2	F1-599D	A1-507C	8PI	43	56	41	31	1	0	1	0
2-HEXANOL	6	14	0	1	0	0	0	0	102	0.814	1.4148	140	999	0	0	0	0	0	0	0	""	A1	F1-119B	A1-111A	8PI	45	27	41	43	0	0	1	1
4-METHYL-1-PENTANOL	6	14	0	1	0	0	0	0	102	0.813	1.4154	152	999	0	0	0	0	0	0	0	""	A1	F1-116D	A1-108B	8PI	56	43	41	69	0	0	1	1
2-METHYL-2-PENTANOL	6	14	0	1	0	0	0	0	102	0.813	1.4113	121	-102	0	0	0	0	0	0	0	""	A1	F1-126B	A1-118D	8PI	59	45	87	43	0	0	1	1
2,3-DIMETHYL-2-BUTANOL	6	14	0	1	0	0	0	0	102	0.824	1.4170	119	-10	0	0	0	0	0	0	0	""	A1	F1-126A	A1-118C	8PI	59	43	41	87	0	0	1	1
2-METHYL-3-PENTANOL	6	14	0	1	0	0	0	0	102	0.825	1.4169	127	999	0	0	0	0	0	0	0	""	A1	F1-123C	A1-115C	8PI	59	31	73	28	0	0	1	1
4-METHYL-2-PENTANOL	6	14	0	1	0	0	0	0	102	0.807	1.4110	132	999	0	0	0	0	0	0	0	""	A1	F1-123B	A1-115B	8PI	45	43	41	69	0	0	1	1
2,2-DIMETHYL-1-BUTANOL	6	14	0	1	0	0	0	0	102	0.828	1.4208	137	999	0	0	0	0	0	0	0	""	A1	S-42490	""	8PI	43	71	70	55	0	0	1	1
3-METHYL-2-PENTANOL	6	14	0	1	0	0	0	0	102	0.829	1.4195	134	999	0	0	0	0	0	0	0	""	A1	F1-123A	A1-115D	8PI	45	56	43	44	0	0	1	1
2-ETHYL-1-BUTANOL	6	14	0	1	0	0	0	0	102	0.833	1.4224	147	999	0	0	0	0	0	0	0	""	A1	F1-116A	A1-107D	8PI	43	70	41	55	0	0	1	1
3-METHYL-1-PENTANOL	6	14	0	1	0	0	0	0	102	0.823	1.4194	152	999	0	0	0	0	0	0	0	""	A1	F1-116C	A1-108A	8PI	56	69	55	41	0	0	1	1
2-METHYL-1-PENTANOL	6	14	0	1	0	0	0	0	102	0.824	1.4190	148	999	0	0	0	0	0	0	0	""	A1	F1-116B	S-7451	8PI	43	71	70	41	0	0	1	1
3,3-DIMETHYL-2-BUTANOL	6	14	0	1	0	0	0	0	102	0.820	1.4150	120	5	0	0	0	0	0	0	0	""	A1	F1-122D	A1-115A	8PI	57	45	41	56	0	0	1	1
3-HEXANOL	6	14	0	1	0	0	0	0	102	0.819	1.4159	135	999	0	0	0	0	0	0	0	""	A1	F1-119C	A1-111B	8PI	59	55	31	43	0	0	1	1
2,3-DIMETHYL-1-BUTANOL	6	14	0	1	0	0	0	0	102	0.830	1.4200	149	999	0	0	0	0	0	0	0	""	A1	S-36535	S-23041	""	0	0	0	0	0	0	1	1
3-METHYL-3-PENTANOL	6	14	0	1	0	0	0	0	102	0.827	1.4186	122	-24	0	0	0	0	0	0	0	""	A1	F1-126C	A1-119A	8PI	73	55	45	87	0	0	1	1
1-HEXANOL	6	14	0	1	0	0	0	0	102	0.819	1.4181	157	-45	0	0	0	0	0	0	0	""	A1	F1-110C	A1-102B	8PI	56	43	41	55	0	0	1	1
3,3-DIMETHYL-1-BUTANOL	6	14	0	1	0	0	0	0	102	0.817	1.4143	143	999	0	0	0	0	0	0	0	""	A1	F1-115D	A1-107C	8PI	57	69	41	56	0	0	1	1
ETHYL_TERT-BUTYL_ETHER	6	14	0	1	0	0	0	0	102	0.740	1.3756	73	-94	0	0	0	0	0	0	0	""	A1	F1-204B	S-19011	8PI	59	87	57	41	0	0	1	0
ETHYL_ISOBUTYL_ETHER	6	14	0	1	0	0	0	0	102	0.737	1.3761	81	999	0	0	0	0	0	0	0	""	A1	S-26932	S-15664	8PI	59	31	29	41	0	0	1	0
ETHYL_SEC-BUTYL_ETHER	6	14	0	1	0	0	0	0	102	0.742	1.3778	81	999	0	0	0	0	0	0	0	""	A1	""	S-16702	8PI	45	73	29	59	0	0	1	0
ETHYL_BUTYL_ETHER	6	14	0	1	0	0	0	0	102	0.750	1.3817	92	-103	0	0	0	0	0	0	0	""	A1	F1-203D	S-23054	8PI	59	31	29	41	0	0	1	0
METHYL_1,1-DIMETHYLPROPYL_ETHER	6	14	0	1	0	0	0	0	102	0.770	1.3885	86	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
METHYL_2-METHYLBUTYL_ETHER	6	14	0	1	0	0	0	0	102	0.751	1.3850	90	999	0	0	0	0	0	0	0	""	A1	""	""	REG	45	56	70	41	0	0	1	0
METHYL_PENTYL_ETHER	6	14	0	1	0	0	0	0	102	0.761	1.3873	100	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
DIISOPROPYL_ETHER	6	14	0	1	0	0	0	0	102	0.724	1.3682	69	-86	0	0	0	0	0	0	0	""	A1	F1-204A	S-7258	8PI	45	43	87	59	0	0	1	0
METHYL_3-METHYLBUTYL_ETHER	6	14	0	1	0	0	0	0	102	0.755	1.3850	91	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
PROPYL_ETHER	6	14	0	1	0	0	0	0	102	0.747	1.3808	90	-122	0	0	0	0	0	0	0	""	A1	F1-203B	A1-173B	8PI	43	41	73	27	0	0	1	0
METHYL_1,2-DIMETHYLPROPYL_ETHER	6	14	0	1	0	0	0	0	102	0.759	1.3850	83	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
PROPYL_ISOPROPYL_ETHER	6	14	0	1	0	0	0	0	102	0.737	1.3760	83	999	0	0	0	0	0	0	0	""	A1	S-31195	S-19019	REG	43	45	41	87	0	0	1	0
PHENYLACETYLENE	8	6	0	0	0	0	0	0	102	0.930	1.5470	144	999	234	19900	244	18200	270	463	1	S-1278	A2	F2-946B	A2-961B	8PI	102	76	50	51	1	1	2	0
4-CHLOROBUTYRONITRILE	4	6	1	0	1	0	0	0	103	1.158	1.4413	196	999	0	0	0	0	0	0	0	""	A2	F1-850C	A1-707D	8PI	41	27	54	63	0	0	1	0
BENZONITRILE	7	5	1	0	0	0	0	0	103	1.010	1.5280	188	-13	221	12000	229	10400	276	800	1	S-602	A2	F2-442C	S-138	8PI	103	41	39	76	0	1	2	0
CYCLOPENTYL_CHLORIDE	5	9	0	0	1	0	0	0	104	1.005	1.4512	114	999	0	0	0	0	0	0	0	""	A2	F1-103B	A1-94B	8PI	68	42	41	69	0	0	1	0
2-THIAHEXANE	5	12	0	0	0	0	0	1	104	0.843	1.4477	123	-98	0	0	0	0	0	0	0	""	A1	S-23677	S-14291	8PI	61	56	41	104	0	0	1	0
3-THIAHEXANE	5	12	0	0	0	0	0	1	104	0.837	1.4462	119	-117	0	0	0	0	0	0	0	""	A1	S-56301	S-29071	8PI	73	27	47	62	0	0	1	0
2-METHYL-2-BUTANETHIOL	5	12	0	0	0	0	0	1	104	0.812	1.4379	99	-104	0	0	0	0	0	0	0	""	A1	F1-258D	A1-223D	8PI	43	71	41	55	0	0	1	0
2,2-DIMETHYL-1-PROPANETHIOL	5	12	0	0	0	0	0	1	104	0.830	1.4393	104	-67	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	41	55	29	0	0	1	0
3-METHYL-2-BUTANETHIOL	5	12	0	0	0	0	0	1	104	0.841	1.4446	110	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	61	43	60	55	0	0	1	0
3-METHYL-1-BUTANETHIOL	5	12	0	0	0	0	0	1	104	0.835	1.4415	118	999	0	0	0	0	0	0	0	""	A1	F1-259B	A1-223C	8PI	55	70	41	43	0	0	1	0
2-METHYL-1-BUTANETHIOL	5	12	0	0	0	0	0	1	104	0.842	1.4440	118	999	0	0	0	0	0	0	0	""	A1	F1-259A	A1-223B	8PI	41	70	57	29	0	0	1	0
3-PENTANETHIOL	5	12	0	0	0	0	0	1	104	0.841	1.4447	114	-111	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	41	75	47	0	0	1	0
2-PENTANETHIOL	5	12	0	0	0	0	0	1	104	0.833	1.4412	112	-112	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	61	55	27	0	0	1	0
1-PENTANETHIOL	5	12	0	0	0	0	0	1	104	0.842	1.4469	127	-76	0	0	0	0	0	0	0	""	A1	F1-255D	A1-219D	8PI	42	55	41	70	0	0	1	0
3-METHOXY-1-BUTANOL	5	12	0	2	0	0	0	0	104	0.928	1.4145	999	999	0	0	0	0	0	0	0	""	A2	F1-224A	A1-191C	8PI	59	31	43	89	0	0	1	1
1,4-PENTANEDIOL	5	12	0	2	0	0	0	0	104	0.986	1.4468	999	999	0	0	0	0	0	0	0	""	A2	F1-133A	A1-124C	""	0	0	0	0	0	0	1	1
1,5-PENTANEDIOL	5	12	0	2	0	0	0	0	104	0.994	1.4494	242	999	0	0	0	0	0	0	0	""	A2	F1-132B	A1-124D	8PI	86	85	29	41	0	0	1	1
1,2-PENTANEDIOL	5	12	0	2	0	0	0	0	104	0.971	1.4397	206	999	0	0	0	0	0	0	0	""	A2	F1-133B	""	""	0	0	0	0	0	0	1	1
2,2-DIMETHOXYPROPANE	5	12	0	2	0	0	0	0	104	0.847	1.3780	83	999	0	0	0	0	0	0	0	""	A2	F1-219D	A1-187C	8PI	73	43	43	29	0	0	1	0
2,2-DIMETHYL-1,3-PROPANEDIOL	5	12	0	2	0	0	0	0	104	0.000	0.0000	999	126	0	0	0	0	0	0	0	""	A2	F1-128D	A1-121A	8PI	56	55	73	41	0	0	1	1
STYRENE	8	8	0	0	0	0	0	0	104	0.906	1.5468	145	-31	246	15180	281	945	0	678	2	S-94	A1	F1-945B	S-6408	8PI	104	103	78	51	0	1	2	0
1,3,5,7-CYCLOOCTATETRAENE	8	8	0	0	0	0	0	0	104	0.925	1.5375	143	-27	274	570	0	0	0	0	2	S-3365	A2	F1-49B	A1-51C	8PI	104	78	51	103	0	0	2	0
3-CHLOROPENTANE	5	11	0	0	1	0	0	0	106	0.873	1.4082	98	-105	0	0	0	0	0	0	0	""	M3	S-48361	""	8PI	70	41	71	43	0	0	1	0
1-CHLOROPENTANE	5	11	0	0	1	0	0	0	106	0.882	1.4120	108	-99	0	0	0	0	0	0	0	""	M3	F1-57C	A1-61A	8PI	70	42	55	41	0	0	1	0
2-CHLOROPENTANE	5	11	0	0	1	0	0	0	106	0.870	1.4069	97	-137	0	0	0	0	0	0	0	""	M3	S-48125	""	8PI	70	43	55	41	0	0	1	0
1-CHLORO-2,2-DIMETHYLPROPANE	5	11	0	0	1	0	0	0	106	0.866	1.4044	84	-20	0	0	0	0	0	0	0	""	M3	""	""	8PI	57	55	41	29	0	0	1	0
2-CHLORO-3-METHYLBUTANE	5	11	0	0	1	0	0	0	106	0.862	1.4020	93	999	0	0	0	0	0	0	0	""	M3	""	""	8PI	43	42	41	55	0	0	1	0
2-CHLORO-2-METHYLBUTANE	5	11	0	0	1	0	0	0	106	0.865	1.4055	86	-74	0	0	0	0	0	0	0	""	M3	S-29772	S-10958	8PI	77	55	71	76	0	0	1	0
1-CHLORO-3-METHYLBUTANE	5	11	0	0	1	0	0	0	106	0.870	1.4084	99	999	0	0	0	0	0	0	0	""	B	S-10942	S-122	8PI	43	70	55	42	0	0	1	0
BENZALDEHYDE	7	6	0	1	0	0	0	0	106	1.044	1.5454	182	-26	244	6100	279	600	288	500	1	S-868	A2	F2-104A	A2-103C	8PI	77	106	105	51	1	1	3	0
ETHYLBENZENE	8	10	0	0	0	0	0	0	106	0.867	1.4959	136	-95	208	7520	255	168	270	142	1	S-97	A1	F1-931C	A1-733C	8PI	91	106	51	39	0	1	3	0
O-XYLENE	8	10	0	0	0	0	0	0	106	0.880	1.5055	144	-25	262	254	270	211	0	0	1	S-7	A1	F1-936D	A1-740B	8PI	91	106	105	51	0	1	3	0
P-XYLENE	8	10	0	0	0	0	0	0	106	0.861	1.4958	138	13	212	12321	260	377	275	587	2	S-609	A1	F1-939A	A1-742A	8PI	91	106	105	77	0	1	3	0
M-XYLENE	8	10	0	0	0	0	0	0	106	0.864	1.4972	139	-48	265	329	268	254	272	277	2	S-317	A1	F1-938A	A1-741A	8PI	91	106	105	39	0	1	3	0
1,7-OCTADIYNE	8	10	0	0	0	0	0	0	106	0.800	1.4464	136	999	0	0	0	0	0	0	0	""	A2	F2-933C	A2-951A	8PI	39	91	41	27	0	0	3	0
O-TOLUIDINE	7	9	1	0	0	0	0	0	107	0.998	1.5725	200	-24	233	12245	285	3130	0	0	2	S-442	M1	F1-1192D	A1-992D	8PI	106	107	77	79	0	1	3	1
M-TOLUIDINE	7	9	1	0	0	0	0	0	107	0.989	1.5681	203	-30	236	8900	286	1460	0	0	1	S-443	M1	F1-1197C	A1-998C	REG	106	107	77	79	0	1	3	1
P-TOLUIDINE	7	9	1	0	0	0	0	0	107	0.962	1.5636	201	44	237	9680	293	1926	0	0	2	S1161	M1	F1-1202B	A1-1005B	8PI	106	107	79	53	0	1	3	1
BENZYLAMINE	7	9	1	0	0	0	0	0	107	0.981	1.5424	185	10	248	1486	0	0	0	0	1	S-266	A2	F1-1266B	S-63	8PI	106	107	79	30	0	1	3	1
N-METHYLANILINE	7	9	1	0	0	0	0	0	107	0.989	1.5700	196	-57	245	11130	293	1873	0	0	1	S-1754	A2	F1-1189C	S-3203	8PI	106	107	77	51	0	1	3	1
BROMOETHANE	2	5	0	0	0	1	0	0	108	1.461	1.4239	38	-119	0	0	0	0	0	0	0	""	M3	F1-55B	S-225	8PI	108	110	29	27	0	0	1	0
BROMOETHANE	2	5	0	0	0	1	0	0	108	1.460	1.4235	39	-119	0	0	0	0	0	0	0	""	A2	F1-55B	S-225	""	0	0	0	0	0	0	1	0
P-BENZOQUINONE	6	4	0	2	0	0	0	0	108	0.000	0.0000	999	114	240	21500	278	350	0	0	3	S-248	A2	F1-452B	A1-414C	8PI	108	54	26	82	1	0	2	0
1,4-DICYANOBUTANE	6	8	2	0	0	0	0	0	108	0.951	1.4380	295	2	0	0	0	0	0	0	0	""	A2	F1-841C	A1-699C	8PI	41	68	54	40	0	0	1	0
1,4-PHENYLENEDIAMINE	6	8	2	0	0	0	0	0	108	0.000	0.0000	267	142	243	11340	308	1825	0	0	1	S-1187	A2	F1-1242B	A1-1051B	8PI	108	80	52	28	0	1	2	1
M-PHENYLENEDIAMINE	6	8	2	0	0	0	0	0	108	0.000	0.0000	283	65	294	2300	0	0	0	0	1	S-1813	A2	F1-1239A	A1-1048A	8PI	108	80	81	54	0	1	2	1
O-PHENYLENEDIAMINE	6	8	2	0	0	0	0	0	108	0.000	0.0000	257	101	237	5861	292	2920	0	0	1	S-460	A2	F1-1235C	A1-1045C	8PI	108	80	53	54	0	1	2	1
O-CRESOL	7	8	0	1	0	0	0	0	108	1.027	1.5361	191	31	214	6030	273	1820	0	0	1	S-259	M1	F1-1069B	A1-867B	8PI	108	107	79	77	0	1	3	1
M-CRESOL	7	8	0	1	0	0	0	0	108	0.986	1.5438	202	12	215	6464	273	1571	0	0	1	S-622	M1	F1-1073B	A1-871A	8PI	108	107	79	77	0	1	3	1
P-CRESOL	7	8	0	1	0	0	0	0	108	1.018	1.5312	202	35	214	5700	220	6000	286	2050	3	S-15	M1	F1-1075D	A1-873A	8PI	107	108	77	79	0	1	3	1
BENZYL_ALCOHOL	7	8	0	1	0	0	0	0	108	1.045	1.5404	205	-15	252	233	257	229	263	165	1	S-62	M1	F1-1121D	A1-921A	8PI	79	108	107	77	0	1	3	1
ANISOLE	7	8	0	1	0	0	0	0	108	0.995	1.5160	154	-37	220	8100	265	1500	278	2250	3	S23713	A2	F1-1035A	A1-833A	8PI	108	65	78	39	0	1	3	0
1,3-CYCLOOCTADIENE	8	12	0	0	0	0	0	0	108	0.869	1.4888	143	-53	266	19	276	17	0	0	1	S-6094	B	S-36251	S-9448	8PI	79	67	93	108	0	0	3	0
1,5-CYCLOOCTADIENE	8	12	0	0	0	0	0	0	108	0.882	1.4931	149	-69	0	0	0	0	0	0	1	S-6093	A2	F1-48C	S-9447	8PI	54	67	39	80	0	0	3	0
M-AMINOPHENOL	6	7	1	1	0	0	0	0	109	0.000	0.0000	999	125	287	2087	0	0	0	0	1	S-3509	A2	F1-1200A	A1-1004A	8PI	109	80	81	53	0	1	2	1
P-AMINOPHENOL	6	7	1	1	0	0	0	0	109	0.000	0.0000	999	189	234	7770	301	2290	0	0	1	S-236	A2	F1-1210B	A1-1013A	8PI	109	80	53	28	0	1	2	1
O-AMINOPHENOL	6	7	1	1	0	0	0	0	109	0.000	0.0000	999	176	233	6890	285	3208	0	0	1	S-1894	A2	F1-1195D	A1-997B	8PI	109	80	53	28	0	1	2	1
CYCLOHEXYL_CYANIDE	7	11	1	0	0	0	0	0	109	0.919	1.4505	999	11	0	0	0	0	0	0	0	""	A2	F1-845D	A1-703C	8PI	56	41	54	67	0	0	1	0
2,3-DICHLORO-1-PROPENE	3	4	0	0	2	0	0	0	110	1.204	1.4611	94	999	0	0	0	0	0	0	0	""	A2	F1-99A	A1-90D	8PI	75	39	77	110	0	0	3	0
CATECHOL	6	6	0	2	0	0	0	0	110	0.000	0.0000	245	105	218	5500	278	2570	0	0	1	S15924	A2	F1-1101B	A1-870B	8PI	110	64	63	81	0	1	2	1
HYDROQUINONE	6	6	0	2	0	0	0	0	110	0.000	0.0000	285	175	225	5180	294	2810	0	0	1	S-60	A2	F1-1107D	S-10350	8PI	110	53	81	55	0	1	2	1
RESORCINOL_(1,3-DIHYDROXYBENZENE)	6	6	0	2	0	0	0	0	110	0.000	0.0000	999	110	275	2110	282	1800	0	0	1	S-2572	A2	F1-1104C	A1-898C	8PI	110	81	39	53	0	1	2	1
1-ETHYNYLCYCLOPENTANOL	7	10	0	1	0	0	0	0	110	0.962	1.4751	159	999	0	0	0	0	0	0	0	""	A2	F2-939D	A2-956B	""	0	0	0	0	0	0	3	1
1-PROPYLCYCLOPENTENE	8	14	0	0	0	0	0	0	110	0.802	1.4452	131	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
4,4-DIMETHYLCYCLOHEXENE	8	14	0	0	0	0	0	0	110	0.801	1.4418	117	-74	0	0	0	0	0	0	0	""	A1	""	A1-47B	8PI	95	56	54	41	0	0	3	0
1,2-DIMETHYLCYCLOHEXENE	8	14	0	0	0	0	0	0	110	0.826	1.4620	138	-84	0	0	0	0	0	0	0	""	A1	""	""	8PI	95	67	81	39	0	0	1	0
3-ETHYLCYCLOHEXENE	8	14	0	0	0	0	0	0	110	0.810	1.4500	132	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	81	96	55	65	0	0	3	0
1-ETHYLCYCLOHEXENE	8	14	0	0	0	0	0	0	110	0.822	1.4567	137	-110	0	0	0	0	0	0	0	""	A1	S-16066	S-8185	8PI	81	67	41	110	0	0	3	0
2-OCTYNE	8	14	0	0	0	0	0	0	110	0.759	1.4276	138	999	0	0	0	0	0	0	0	""	A1	S-51450	S-23400	8PI	41	81	39	95	0	0	1	0
1-OCTYNE	8	14	0	0	0	0	0	0	110	0.747	1.4163	126	-79	0	0	0	0	0	0	0	""	A1	F2-932A	A2-949C	8PI	81	41	43	69	0	0	3	0
3-OCTYNE	8	14	0	0	0	0	0	0	110	0.752	1.4250	133	-104	0	0	0	0	0	0	0	""	A1	S-67446	S-40352	8PI	67	41	81	39	0	0	1	0
CYCLOOCTENE	8	14	0	0	0	0	0	0	110	0.846	1.4698	146	-16	0	0	0	0	0	0	0	""	A2	F1-41B	A1-45C	8PI	67	54	41	82	0	0	3	0
1,7-OCTADIENE	8	14	0	0	0	0	0	0	110	0.746	1.4221	121	999	0	0	0	0	0	0	0	""	A2	F1-29D	A1-34A	8PI	41	54	67	82	0	0	3	0
4-OCTYNE	8	14	0	0	0	0	0	0	110	0.751	1.4236	132	-103	0	0	0	0	0	0	0	""	A2	F2-932B	A2-949D	8PI	67	41	81	27	0	0	1	0
2,5-DIMETHYL-2,4-HEXADIENE	8	14	0	0	0	0	0	0	110	0.773	1.4769	133	13	241	13100	0	0	0	0	1	S-1457	A2	F1-32D	V-515	8PI	95	110	67	41	0	0	3	0
2,5-DIMETHYL-1,5-HEXADIENE	8	14	0	0	0	0	0	0	110	0.740	1.4260	999	999	0	0	0	0	0	0	0	""	A2	F1-32C	S-21249	8PI	55	95	68	39	0	0	3	0
HEXYL_CYANIDE	7	13	1	0	0	0	0	0	111	0.810	1.4144	185	-63	0	0	0	0	0	0	0	""	M3	S-31455	S-19185	8PI	41	82	43	83	0	0	1	0
2,2-DICHLOROPROPANE	3	6	0	0	2	0	0	0	112	1.112	1.4148	69	-34	0	0	0	0	0	0	0	""	M3	S-36632	S-23191	8PI	77	41	97	79	0	0	1	0
1,3-DICHLOROPROPANE	3	6	0	0	2	0	0	0	112	1.188	1.4487	120	-100	0	0	0	0	0	0	0	""	M3	F1-73A	A1-74B	8PI	76	41	27	78	0	0	1	0
1,2-DICHLOROPROPANE	3	6	0	0	2	0	0	0	112	1.156	1.4394	96	-100	0	0	0	0	0	0	0	""	M3	F1-80C	A1-80C	8PI	63	62	27	41	0	0	1	0
1,1-DICHLOROPROPANE	3	6	0	0	2	0	0	0	112	1.132	1.4289	88	999	0	0	0	0	0	0	0	""	M3	""	""	8PI	77	41	29	76	0	0	1	0
CHLOROBENZENE	6	5	0	0	1	0	0	0	112	1.106	1.5241	132	-46	215	10950	264	260	271	210	3	S-16	M1	F1-971B	S-714	8PI	112	77	114	51	0	1	2	0
1-ACETOXY-1,3-BUTADIENE	6	8	0	2	0	0	0	0	112	0.945	1.4690	999	999	231	20700	0	0	0	0	4	L-11	A2	F1-636D	A1-534B	8PI	43	70	112	69	1	0	3	0
CYCLOHEPTANONE	7	12	0	1	0	0	0	0	112	0.951	1.4611	179	999	0	0	0	0	0	0	0	""	A2	F1-437B	A1-399C	8PI	55	68	56	41	1	0	1	0
4-METHYLCYCLOHEXANONE	7	12	0	1	0	0	0	0	112	0.914	1.4455	171	999	291	19	0	0	0	0	2	S-19	A2	F1-434A	A1-395D	8PI	55	56	41	112	1	0	1	0
3-METHYCYLCLOHEXANONE	7	12	0	1	0	0	0	0	112	0.914	1.4450	163	999	0	0	0	0	0	0	0	""	A2	F1-433C	A1-395B	8PI	69	56	55	112	1	0	1	0
2-METHYLCYCLOHEXANONE	7	12	0	1	0	0	0	0	112	0.924	1.4478	163	999	0	0	0	0	0	0	0	""	A2	F1-433A	A1-394D	8PI	68	41	55	112	1	0	1	0
HEXAHYDROBENZALDEHYDE	7	12	0	1	0	0	0	0	112	0.926	1.4500	162	999	0	0	0	0	0	0	0	""	A2	F1-476B	A1-365A	8PI	55	83	41	68	1	0	1	0
TRANS-2-HEPTENAL	7	12	0	1	0	0	0	0	112	0.857	1.4473	999	999	0	0	0	0	0	0	0	""	A2	F1-473A	""	""	55	83	27	39	1	0	3	0
TRANS-1-METHYL-2-ETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.769	1.4219	121	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,CIS-2,CIS-3-TRIMETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.779	1.4262	123	-116	0	0	0	0	0	0	0	""	A1	""	""	8PI	70	55	41	56	0	0	1	0
1,CIS-2,TRANS-3-TRIMETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.770	1.4218	118	-112	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,1,3-TRIMETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.748	1.4112	105	-142	0	0	0	0	0	0	0	""	A1	""	""	8PI	55	56	83	97	0	0	1	0
1,TRANS-2,CIS-4-TRIMETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.747	1.4106	109	-131	0	0	0	0	0	0	0	""	A1	""	""	8PI	70	55	41	42	0	0	1	0
1,CIS-2,TRANS-4-TRIMETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.763	1.4186	117	-133	0	0	0	0	0	0	0	""	A1	""	""	8PI	70	55	42	69	0	0	1	0
1,CIS-2,CIS-4-TRIMETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.772	1.4220	117	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,TRANS-2,CIS-3-TRIMETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.754	1.4138	110	-113	0	0	0	0	0	0	0	""	A1	""	""	8PI	70	56	55	41	0	0	1	0
1,1,2-TRIMETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.773	1.4230	114	-22	0	0	0	0	0	0	0	""	A1	""	""	8PI	56	69	55	41	0	0	1	0
CIS-1-METHYL-2-ETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.785	1.4293	128	-106	0	0	0	0	0	0	0	""	A1	""	""	8PI	55	41	83	56	0	0	1	0
PROPYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.776	1.4263	131	-117	0	0	0	0	0	0	0	""	A1	""	""	8PI	41	69	68	56	0	0	1	0
ISOPROPYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.777	1.4258	126	-111	0	0	0	0	0	0	0	""	A1	""	""	8PI	68	69	41	55	0	0	1	0
1-METHYL-1-ETHYLCYCLOPENTANE	8	16	0	0	0	0	0	0	112	0.781	1.4272	122	-144	0	0	0	0	0	0	0	""	A1	""	""	8PI	83	55	41	70	0	0	1	0
CIS-1,2-DIMETHYLCYCLOHEXANE	8	16	0	0	0	0	0	0	112	0.796	1.4360	130	-50	0	0	0	0	0	0	0	""	A1	S-8610	S-3407	8PI	55	97	41	83	0	0	1	0
TRANS-1,2-DIMETHYLCYCLOHEXANE	8	16	0	0	0	0	0	0	112	0.776	1.4270	123	-88	0	0	0	0	0	0	0	""	A1	S-8609	S-11924	8PI	55	97	41	112	0	0	1	0
CIS-1,3-DIMETHYLCYCLOHEXANE	8	16	0	0	0	0	0	0	112	0.766	1.4229	120	-76	0	0	0	0	0	0	0	""	A1	F1-37A	A1-41B	8PI	97	55	41	112	0	0	1	0
TRANS-1,3-DIMETHYLCYCLOHEXANE	8	16	0	0	0	0	0	0	112	0.785	1.4309	124	-90	0	0	0	0	0	0	0	""	A1	S-56233	S-21641	8PI	55	97	41	112	0	0	1	0
CIS-1,4-DIMETHYLCYCLOHEXANE	8	16	0	0	0	0	0	0	112	0.783	1.4297	124	-87	0	0	0	0	0	0	0	""	A1	S-7972	S-3954	8PI	55	97	41	112	0	0	1	0
1,1-DIMETHYLCYCLOHEXANE	8	16	0	0	0	0	0	0	112	0.781	1.4290	120	-33	0	0	0	0	0	0	0	""	A1	F1-36C	A1-40B	8PI	97	55	69	41	0	0	1	0
ETHYLCYCLOHEXANE	8	16	0	0	0	0	0	0	112	0.788	1.4330	132	-111	0	0	0	0	0	0	0	""	A1	F1-35C	A1-39A	8PI	83	55	82	41	0	0	1	0
TRANS-1,4-DIMETHYLCYCLOHEXANE	8	16	0	0	0	0	0	0	112	0.763	1.4209	119	-37	0	0	0	0	0	0	0	""	A1	S-7973	A1-41D	8PI	55	97	41	112	0	0	1	0
CIS-2-OCTENE	8	16	0	0	0	0	0	0	112	0.724	1.4150	126	-100	0	0	0	0	0	0	0	""	A1	S-67069	S-40058	8PI	55	41	29	56	0	0	3	0
3,3-DIMETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.714	1.4070	104	999	0	0	0	0	0	0	0	""	A1	S-56256	S-29037	8PI	41	69	55	53	0	0	3	0
2,4-DIMETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.720	1.4110	111	999	0	0	0	0	0	0	0	""	A1	S-56254	S-29036	REG	41	69	56	57	0	0	3	0
4-ETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.726	1.4120	113	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
3-ETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.715	1.4070	110	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
2,5-DIMETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.717	1.4105	112	999	0	0	0	0	0	0	0	""	A1	S-56255	S-7914	8PI	56	41	69	57	0	0	3	0
2,3-DIMETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.721	1.4113	111	999	0	0	0	0	0	0	0	""	A1	S-48465	S-7913	REG	70	69	55	41	0	0	3	0
2-METHYL-2-HEPTENE	8	16	0	0	0	0	0	0	112	0.724	1.4170	123	999	0	0	0	0	0	0	0	""	A1	S-15998	S-7926	8PI	69	41	56	27	0	0	3	0
6-METHYL-1-HEPTENE	8	16	0	0	0	0	0	0	112	0.712	1.4070	113	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	56	43	55	41	0	0	3	0
5-METHYL-1-HEPTENE	8	16	0	0	0	0	0	0	112	0.716	1.4094	113	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	70	55	43	41	0	0	3	0
4-METHYL-1-HEPTENE	8	16	0	0	0	0	0	0	112	0.717	1.4100	113	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
3-METHYL-1-HEPTENE	8	16	0	0	0	0	0	0	112	0.711	1.4060	111	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	55	56	41	70	0	0	3	0
2-ETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.727	1.4157	120	999	0	0	0	0	0	0	0	""	A1	S-633	S-12188	8PI	70	55	41	42	0	0	3	0
CIS-3-OCTENE	8	16	0	0	0	0	0	0	112	0.721	1.4135	123	999	0	0	0	0	0	0	0	""	A1	S-67071	S-40060	8PI	41	55	56	42	0	0	3	0
TRANS-2-OCTENE	8	16	0	0	0	0	0	0	112	0.720	1.4132	125	-88	0	0	0	0	0	0	0	""	A1	F1-19A	A1-25B	8PI	55	41	29	56	0	0	3	0
1-OCTENE	8	16	0	0	0	0	0	0	112	0.715	1.4087	121	-102	0	0	0	0	0	0	0	""	A1	F1-14A	A1-20D	8PI	43	55	70	56	0	0	3	0
2-METHYL-1-HEPTENE	8	16	0	0	0	0	0	0	112	0.721	1.4123	119	-90	0	0	0	0	0	0	0	""	A1	F1-24C	S-7925	REG	55	41	56	70	0	0	3	0
TRANS-4-OCTENE	8	16	0	0	0	0	0	0	112	0.714	1.4118	122	-94	0	0	0	0	0	0	0	""	A1	F1-19B	A1-25C	8PI	55	41	56	70	0	0	3	0
CIS-4-OCTENE	8	16	0	0	0	0	0	0	112	0.721	1.4148	123	-119	0	0	0	0	0	0	0	""	A1	S-67072	S-40061	8PI	41	55	56	42	0	0	3	0
TRANS-3-OCTENE	8	16	0	0	0	0	0	0	112	0.715	1.4126	123	-110	0	0	0	0	0	0	0	""	A1	S-9001	S-3959	8PI	41	55	56	69	0	0	3	0
CYCLOOCTANE	8	16	0	0	0	0	0	0	112	0.836	1.4587	151	15	0	0	0	0	0	0	0	""	A1	F1-34B	A1-37C	8PI	56	55	41	70	0	0	1	0
2,4-DIMETHYL-2-HEXENE	8	16	0	0	0	0	0	0	112	0.721	1.4118	111	999	0	0	0	0	0	0	0	""	A1	""	""	REG	83	55	41	112	0	0	3	0
2,5-DIMETHYL-2-HEXENE	8	16	0	0	0	0	0	0	112	0.720	1.4140	112	999	0	0	0	0	0	0	0	""	A1	S-36451	S-7917	8PI	69	41	112	55	0	0	3	0
5,5-DIMETHYL-CIS-2-HEXENE	8	16	0	0	0	0	0	0	112	0.717	1.4113	107	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	41	55	29	0	0	3	0
5,5-DIMETHYL-TRANS-2-HEXENE	8	16	0	0	0	0	0	0	112	0.707	1.4055	104	999	0	0	0	0	0	0	0	""	A1	""	""	REG	57	41	55	29	0	0	3	0
3-ETHYL-3-HEXENE	8	16	0	0	0	0	0	0	112	0.729	1.4180	116	999	0	0	0	0	0	0	0	""	A1	S-56310	S-7727	REG	55	83	41	112	0	0	3	0
2,2-DIMETHYL-CIS-3-HEXENE	8	16	0	0	0	0	0	0	112	0.713	1.4099	105	-137	0	0	0	0	0	0	0	""	A1	S-9003	S-3960	8PI	55	83	41	69	0	0	3	0
2,2-DIMETHYL-TRANS-3-HEXENE	8	16	0	0	0	0	0	0	112	0.704	1.4063	101	999	0	0	0	0	0	0	0	""	A1	S-15891	S-7918	8PI	55	83	97	69	0	0	3	0
2,4-DIMETHYL-CIS-3-HEXENE	8	16	0	0	0	0	0	0	112	0.718	1.4140	109	999	0	0	0	0	0	0	0	""	A1	""	""	REG	55	83	41	112	0	0	3	0
2,4-DIMETHYL-TRANS-3-HEXENE	8	16	0	0	0	0	0	0	112	0.715	1.4126	108	999	0	0	0	0	0	0	0	""	A1	""	""	REG	55	83	41	112	0	0	3	0
2-PROPYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.724	1.4136	118	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	56	55	69	84	0	0	3	0
2-ISOPROPYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.725	1.4140	113	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
3-METHYL-2-ETHYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.729	1.4142	113	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
3,5-DIMETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.708	1.4040	104	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
4,4-DIMETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.720	1.4102	107	999	0	0	0	0	0	0	0	""	A1	S-56258	S-7915	""	0	0	0	0	0	0	3	0
3,4,4-TRIMETHYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.719	1.4120	104	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
2-METHYL-3-ETHYL-2-PENTENE	8	16	0	0	0	0	0	0	112	0.739	1.4247	117	999	0	0	0	0	0	0	0	""	A1	""	S-7922	REG	55	83	41	112	0	0	3	0
4-METHYL-3-ETHYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.720	1.4097	108	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
4-METHYL-3-ETHYL-CIS-2-PENTENE	8	16	0	0	0	0	0	0	112	0.739	1.4240	116	999	0	0	0	0	0	0	0	""	A1	""	""	REG	55	83	41	112	0	0	3	0
2,3,4-TRIMETHYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.729	1.4150	108	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
3,3,4-TRIMETHYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.729	1.4144	105	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
2,3-DIMETHYL-2-HEXENE	8	16	0	0	0	0	0	0	112	0.741	1.4268	122	-115	0	0	0	0	0	0	0	""	A1	""	S-7916	8PI	83	55	41	39	0	0	1	0
2,3,3-TRIMETHYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.735	1.4174	108	-69	0	0	0	0	0	0	0	""	A1	""	""	REG	55	83	41	39	0	0	3	0
2,4,4-TRIMETHYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.715	1.4086	101	-93	0	0	0	0	0	0	0	""	A1	F1-25D	A1-28D	8PI	57	41	29	55	0	0	3	0
4-METHYL-3-ETHYL-TRANS-2-PENTENE	8	16	0	0	0	0	0	0	112	0.735	1.4210	114	999	0	0	0	0	0	0	0	""	A1	""	""	REG	55	83	41	112	0	0	3	0
2,3,4-TRIMETHYL-2-PENTENE	8	16	0	0	0	0	0	0	112	0.743	1.4275	116	-113	0	0	0	0	0	0	0	""	A1	""	S-7728	8PI	55	97	41	112	0	0	1	0
2,4,4-TRIMETHYL-2-PENTENE	8	16	0	0	0	0	0	0	112	0.722	1.4160	105	-106	0	0	0	0	0	0	0	""	A1	F1-26A	A1-30D	8PI	97	55	41	112	0	0	3	0
3,4-DIMETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.724	1.4130	112	999	0	0	0	0	0	0	0	""	A1	S-56257	S-29038	8PI	56	41	57	55	0	0	3	0
3,3-DIMETHYL-2-ETHYL-1-BUTENE	8	16	0	0	0	0	0	0	112	0.728	1.4159	110	999	0	0	0	0	0	0	0	""	A1	S-42450	""	""	0	0	0	0	0	0	3	0
3-METHYL-3-ETHYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.731	1.4180	112	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
5,5-DIMETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.709	1.4049	103	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	55	41	43	0	0	3	0
4,5-DIMETHYL-1-HEXENE	8	16	0	0	0	0	0	0	112	0.728	1.4140	109	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	71	41	55	0	0	3	0
4-METHYL-2-ETHYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.720	1.4105	110	999	0	0	0	0	0	0	0	""	A1	""	""	REG	70	55	43	41	0	0	3	0
2-METHYL-3-ETHYL-1-PENTENE	8	16	0	0	0	0	0	0	112	0.730	1.4150	110	999	0	0	0	0	0	0	0	""	A1	""	S-7921	8PI	55	83	41	84	0	0	3	0
3-METHYL-2-ISOPROPYL-1-BUTENE	8	16	0	0	0	0	0	0	112	0.722	1.4085	104	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
ETHYL_CYANOACETATE	5	7	1	2	0	0	0	0	113	1.063	1.4175	210	-22	0	0	0	0	0	0	0	""	A2	F1-865A	S-4600	8PI	29	68	27	40	1	0	1	0
3-ISOPROPOXYPROPIONITRILE	6	11	1	1	0	0	0	0	113	0.897	1.4089	178	999	0	0	0	0	0	0	0	""	B	S-28506	S-659	HB	45	43	54	98	0	0	1	0
ALLYL_SULFIDE	6	10	0	0	0	0	0	1	114	0.887	1.4889	138	999	0	0	0	0	0	0	0	""	A2	F1-269C	A1-231B	8PI	73	45	41	114	0	0	3	0
ACETONYLACETONE	6	10	0	2	0	0	0	0	114	0.973	1.4260	191	-6	220	1342	0	0	0	0	1	S-43	A2	F1-424D	A1-387D	8PI	43	99	71	114	1	0	1	0
ETHYL_CROTONATE	6	10	0	2	0	0	0	0	114	0.918	1.4248	143	999	210	12600	0	0	0	0	4	L-13	A2	F1-641D	A1-541A	8PI	69	41	99	39	1	0	3	0
HEPTANAL	7	14	0	1	0	0	0	0	114	0.817	1.4116	153	-43	0	0	0	0	0	0	0	""	A1	F1-468B	A1-359D	8PI	44	43	41	70	1	0	1	0
3-METHYL-2-HEXANONE	7	14	0	1	0	0	0	0	114	0.822	1.4110	137	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	72	71	41	1	0	1	0
5-METHYL-2-HEXANONE	7	14	0	1	0	0	0	0	114	0.814	1.4060	144	999	0	0	0	0	0	0	0	""	A1	F1-408C	A1-372A	8PI	43	58	27	41	1	0	1	0
5-METHYL-3-HEXANONE	7	14	0	1	0	0	0	0	114	0.812	1.4050	137	999	0	0	0	0	0	0	0	""	A1	S-15939	S-9388	8PI	57	29	85	41	1	0	1	0
4-HEPTANONE	7	14	0	1	0	0	0	0	114	0.816	1.4067	144	-33	0	0	0	0	0	0	0	""	A1	F1-409B	A1-372D	8PI	43	71	27	41	1	0	1	0
3-ETHYL-2-PENTANONE	7	14	0	1	0	0	0	0	114	0.819	1.4070	138	999	0	0	0	0	0	0	0	""	A1	S-25517	S-13997	8PI	43	72	71	41	1	0	1	0
3,3-DIMETHYL-2-PENTANONE	7	14	0	1	0	0	0	0	114	0.824	1.4101	131	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	1	0	1	0
3,4-DIMETHYL-2-PENTANONE	7	14	0	1	0	0	0	0	114	0.819	1.4097	135	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	1	0	1	0
4,4-DIMETHYL-2-PENTANONE	7	14	0	1	0	0	0	0	114	0.804	1.4036	126	999	0	0	0	0	0	0	0	""	A1	F1-407D	A1-371B	8PI	43	57	58	41	1	0	1	0
2,2-DIMETHYL-3-PENTANONE	7	14	0	1	0	0	0	0	114	1.403	1.4050	126	999	0	0	0	0	0	0	0	""	A1	S-60190	S-32910	8PI	43	71	27	41	1	0	1	0
2,4-DIMETHYL-3-PENTANONE	7	14	0	1	0	0	0	0	114	0.803	1.3999	124	-69	0	0	0	0	0	0	0	""	A1	F1-407C	A1-371A	8PI	43	71	27	41	1	0	1	0
2-METHYL-3-HEXANONE	7	14	0	1	0	0	0	0	114	0.817	1.4070	134	999	0	0	0	0	0	0	0	""	A1	S-36802	S-23083	8PI	43	71	27	41	1	0	1	0
4-METHYL-3-HEXANONE	7	14	0	1	0	0	0	0	114	0.816	1.4069	136	999	0	0	0	0	0	0	0	""	A1	S-60276	S-32976	8PI	57	29	41	85	1	0	1	0
2-HEPTANONE	7	14	0	1	0	0	0	0	114	0.815	1.4087	151	-35	0	0	0	0	0	0	0	""	A1	F1-408D	A1-372B	8PI	43	58	27	71	1	0	1	0
3-HEPTANONE	7	14	0	1	0	0	0	0	114	0.819	1.4088	147	-39	0	0	0	0	0	0	0	""	A1	F1-409A	A1-372C	8PI	57	29	85	41	1	0	1	0
4-METHYL-2-HEXANONE	7	14	0	1	0	0	0	0	114	0.813	1.4082	139	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	58	41	59	1	0	1	0
CYCLOHEPTANOL	7	14	0	1	0	0	0	0	114	0.948	1.4760	185	999	0	0	0	0	0	0	0	""	A2	F1-166D	A1-155A	8PI	57	68	81	41	0	0	1	1
TRANS-4-METHYLCYCLOHEXANOL	7	14	0	1	0	0	0	0	114	0.917	1.4554	175	999	0	0	0	0	0	0	0	""	A2	F1-160D	A1-151D	8PI	57	41	58	81	0	0	1	1
1-METHYLCYCLOHEXANOL	7	14	0	1	0	0	0	0	114	0.919	1.4585	168	26	0	0	0	0	0	0	0	""	A2	F1-159B	A1-146B	""	0	0	0	0	0	0	1	1
CIS-2-METHYLCYCLOHEXANOL	7	14	0	1	0	0	0	0	114	0.936	1.4655	165	8	0	0	0	0	0	0	0	""	A2	F1-159B	A1-146D	8PI	57	68	41	81	0	0	1	1
TRANS-2-METHYLCYCLOHEXANOL	7	14	0	1	0	0	0	0	114	0.924	1.4600	167	-21	0	0	0	0	0	0	0	""	A2	F1-159C	A1-150B	8PI	57	68	41	81	0	0	1	1
CIS-4-METHYLCYCLOHEXANOL	7	14	0	1	0	0	0	0	114	0.917	1.4611	173	999	0	0	0	0	0	0	0	""	A2	F1-161A	A1-151C	8PI	57	41	58	81	0	0	1	1
CYCLOHEXYL_CARBINOL_C6H11-CH2OH	7	14	0	1	0	0	0	0	114	0.914	1.4621	181	999	0	0	0	0	0	0	0	""	A2	F1-152D	A1-141C	8PI	55	41	83	67	0	0	1	1
OCTANE	8	18	0	0	0	0	0	0	114	0.703	1.3974	126	-57	0	0	0	0	0	0	0	""	A1	F1-2A	A1-10A	8PI	43	41	57	85	0	0	1	0
2-METHYLHEPTANE	8	18	0	0	0	0	0	0	114	0.698	1.3949	118	-109	0	0	0	0	0	0	0	""	A1	F1-9C	A1-15C	8PI	43	57	42	41	0	0	1	0
3-METHYLHEPTANE	8	18	0	0	0	0	0	0	114	0.706	1.3985	119	-121	0	0	0	0	0	0	0	""	A1	S-46546	S-5320	8PI	43	57	85	41	0	0	1	0
4-METHYLHEPTANE	8	18	0	0	0	0	0	0	114	0.705	1.3979	118	-121	0	0	0	0	0	0	0	""	A1	S-15982	S-5056	8PI	43	71	70	41	0	0	1	0
3-ETHYLHEXANE	8	18	0	0	0	0	0	0	114	0.714	1.4016	119	999	0	0	0	0	0	0	0	""	A1	S-48475	S-5681	8PI	43	85	84	41	0	0	1	0
2,2-DIMETHYLHEXANE	8	18	0	0	0	0	0	0	114	0.695	1.3935	107	-121	0	0	0	0	0	0	0	""	A1	S-56249	S-29031	8PI	57	56	41	29	0	0	1	0
2,3-DIMETHYLHEXANE	8	18	0	0	0	0	0	0	114	0.712	1.4011	116	999	0	0	0	0	0	0	0	""	A1	S-56250	S-29032	8PI	43	70	71	41	0	0	1	0
2,4-DIMETHYLHEXANE	8	18	0	0	0	0	0	0	114	0.700	1.3929	109	999	0	0	0	0	0	0	0	""	A1	S-51586	S-23424	8PI	43	57	85	41	0	0	1	0
2,5-DIMETHYLHEXANE	8	18	0	0	0	0	0	0	114	0.694	1.3925	109	-91	0	0	0	0	0	0	0	""	A1	F1-11B	A1-17C	8PI	43	57	41	42	0	0	1	0
3,3-DIMETHYLHEXANE	8	18	0	0	0	0	0	0	114	0.710	1.4001	112	-126	0	0	0	0	0	0	0	""	A1	S-56251	S-29033	8PI	43	71	57	85	0	0	1	0
3,4-DIMETHYLHEXANE	8	18	0	0	0	0	0	0	114	0.719	1.4041	118	999	0	0	0	0	0	0	0	""	A1	S-46545	""	8PI	56	57	43	41	0	0	1	0
2-METHYL-3-ETHYLPENTANE	8	18	0	0	0	0	0	0	114	0.719	1.4040	116	-115	0	0	0	0	0	0	0	""	A1	S-26152	S-10260	8PI	43	70	41	71	0	0	1	0
3-METHYL-3-ETHYLPENTANE	8	18	0	0	0	0	0	0	114	0.727	1.4078	118	-91	0	0	0	0	0	0	0	""	A1	S-56307	S-29074	8PI	43	85	57	41	0	0	1	0
2,2,3-TRIMETHYLPENTANE	8	18	0	0	0	0	0	0	114	0.716	1.4030	110	-112	0	0	0	0	0	0	0	""	A1	S-26153	S-10262	8PI	57	56	41	43	0	0	1	0
2,2,4-TRIMETHYLPENTANE	8	18	0	0	0	0	0	0	114	0.692	1.3915	99	-107	0	0	0	0	0	0	0	""	A1	F1-11B	A1-18B	8PI	57	56	41	43	0	0	1	0
2,3,3-TRIMETHYLPENTANE	8	18	0	0	0	0	0	0	114	0.726	1.4075	115	-101	0	0	0	0	0	0	0	""	A1	S-26154	S-10263	8PI	43	71	70	57	0	0	1	0
2,3,4-TRIMETHYLPENTANE	8	18	0	0	0	0	0	0	114	0.719	1.4042	113	-109	0	0	0	0	0	0	0	""	A1	F1-12A	S-9278	8PI	43	71	70	41	0	0	1	0
2,2,3,3-TETRAMETHYLBUTANE	8	18	0	0	0	0	0	0	114	0.000	0.0000	106	101	0	0	0	0	0	0	0	""	A1	F1-12C	A1-19B	8PI	57	41	56	43	0	0	1	0
1-AMINOHEPTANE	7	17	1	0	0	0	0	0	115	0.775	1.4251	157	-18	0	0	0	0	0	0	0	""	M3	F1-281D	A1-240A	8PI	30	44	41	27	0	0	1	1
METHYL_HEXYLAMINE	7	17	1	0	0	0	0	0	115	0.760	1.4257	142	-31	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	1
2-AMINOHEPTANE	7	17	1	0	0	0	0	0	115	0.766	1.4175	143	999	0	0	0	0	0	0	0	""	A2	F1-289A	A1-247C	8PI	44	30	41	100	0	0	1	1
METHYL_ACETOACETATE	5	8	0	3	0	0	0	0	116	1.076	1.4185	170	-80	0	0	0	0	0	0	0	""	A2	F1-687A	A1-579A	8PI	43	59	69	74	1	0	1	0
HEXANOIC_ACID	6	12	0	2	0	0	0	0	116	0.927	1.4168	206	-3	0	0	0	0	0	0	0	""	A1	F1-482C	A1-420B	8PI	60	73	41	43	1	0	1	1
ISOAMYL_FORMATE	6	12	0	2	0	0	0	0	116	0.880	1.3976	124	-93	0	0	0	0	0	0	0	""	B	S-29063	S10941	8PI	55	70	41	43	1	0	1	0
SEC-BUTYL_ACETATE	6	12	0	2	0	0	0	0	116	0.872	1.3890	112	-99	0	0	0	0	0	0	0	""	A2	F1-601D	A1-509A	8PI	43	56	87	29	1	0	1	0
BUTYL_ACETATE	6	12	0	2	0	0	0	0	116	0.882	1.3940	125	-78	0	0	0	0	0	0	0	""	A2	F1-601C	S-10348	8PI	43	56	41	27	1	0	1	0
TERT-BUTYL_ACETATE	6	12	0	2	0	0	0	0	116	0.862	1.3853	98	999	0	0	0	0	0	0	0	""	A2	F1-602A	A1-509B	8PI	43	57	41	59	1	0	1	0
ETHYL_ISOBUTYRATE	6	12	0	2	0	0	0	0	116	0.869	1.3869	113	999	0	0	0	0	0	0	0	""	A2	F1-605B	A1-511C	8PI	43	29	27	71	1	0	1	0
ETHYL_BUTYRATE	6	12	0	2	0	0	0	0	116	0.878	1.3920	120	-93	0	0	0	0	0	0	0	""	A2	F1-604D	A1-511A	8PI	71	43	88	29	1	0	1	0
ISOBUTYL_ACETATE	6	12	0	2	0	0	0	0	116	0.874	1.3899	117	999	0	0	0	0	0	0	0	""	A2	S-50	S-8590	8PI	43	56	73	41	1	0	1	0
4-HYDROXY-4-METHYL-2-PENTANONE	6	12	0	2	0	0	0	0	116	0.931	1.4233	166	999	238	22	281	2	0	0	1	S-139	A2	F1-421C	A1-382D	8PI	43	59	58	101	1	0	1	1
METHYL_PIVALATE	6	12	0	2	0	0	0	0	116	0.873	1.3900	101	999	0	0	0	0	0	0	0	""	A2	F1-606A	A1-512B	8PI	57	73	56	41	1	0	1	0
METHYL_VALERATE	6	12	0	2	0	0	0	0	116	0.875	1.3962	128	999	0	0	0	0	0	0	0	""	A2	F1-605C	A1-511D	8PI	85	74	57	43	1	0	1	0
2-HEPTANOL	7	16	0	1	0	0	0	0	116	0.817	1.4210	160	999	0	0	0	0	0	0	0	""	A1	F1-119D	A1-111C	8PI	45	43	41	27	0	0	1	1
1-HEPTANOL	7	16	0	1	0	0	0	0	116	0.823	1.4243	176	-34	0	0	0	0	0	0	0	""	A1	F1-110D	A1-102C	8PI	70	56	55	43	0	0	1	1
3-METHYL-2-HEXANOL	7	16	0	1	0	0	0	0	116	0.820	0.0000	152	999	0	0	0	0	0	0	0	""	R1	S-53703	S-16798	8PI	45	43	41	27	0	0	1	1
3-METHYL-3-HEXANOL	7	16	0	1	0	0	0	0	116	0.830	1.4226	142	999	0	0	0	0	0	0	0	""	R1	S-9028	S-3875	8PI	73	45	43	87	0	0	1	1
4-METHYL-2-HEXANOL	7	16	0	1	0	0	0	0	116	0.820	1.4240	151	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
5-METHYL-2-HEXANOL	7	16	0	1	0	0	0	0	116	0.810	1.4190	151	999	0	0	0	0	0	0	0	""	R1	F1-124D	A1-117A	8PI	45	43	41	27	0	0	1	1
2,3-DIMETHYL-3-PENTANOL	7	16	0	1	0	0	0	0	116	0.832	1.4290	139	999	0	0	0	0	0	0	0	""	R1	F1-127A	A1-119C	8PI	73	43	87	45	0	0	1	1
3-ETHYL-3-PENTANOL	7	16	0	1	0	0	0	0	116	0.844	1.4301	143	999	0	0	0	0	0	0	0	""	R1	S-29809	S-17139	8PI	45	87	41	69	0	0	1	1
2-METHYL-3-HEXANOL	7	16	0	1	0	0	0	0	116	0.820	1.4215	146	999	0	0	0	0	0	0	0	""	R1	F1-124C	A1-116D	8PI	55	73	43	27	0	0	1	1
2,2-DIMETHYL-3-PENTANOL	7	16	0	1	0	0	0	0	116	0.826	1.4230	136	5	0	0	0	0	0	0	0	""	R1	F1-124A	A1-116A	8PI	59	57	41	29	0	0	1	1
4,4-DIMETHYL-2-PENTANOL	7	16	0	1	0	0	0	0	116	0.811	1.4187	138	-60	0	0	0	0	0	0	0	""	R1	F1-123D	A1-116B	8PI	57	45	56	41	0	0	1	1
3,4-DIMETHYL-2-PENTANOL	7	16	0	1	0	0	0	0	116	0.837	0.0000	153	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
3-HEPTANOL	7	16	0	1	0	0	0	0	116	0.821	1.4220	156	-70	0	0	0	0	0	0	0	""	R1	F1-120A	A1-111D	8PI	59	69	87	41	0	0	1	1
5-METHYL-3-HEXANOL	7	16	0	1	0	0	0	0	116	0.830	1.4171	148	999	0	0	0	0	0	0	0	""	R1	S-9009	S-4503	8PI	59	69	43	41	0	0	1	1
3-METHYL-1-HEXANOL	7	16	0	1	0	0	0	0	116	0.828	1.4245	172	999	0	0	0	0	0	0	0	""	R1	""	""	8PI	43	55	56	70	0	0	1	1
2-ETHYL-1-PENTANOL	7	16	0	1	0	0	0	0	116	0.830	1.4270	166	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
5-METHYL-1-HEXANOL	7	16	0	1	0	0	0	0	116	0.816	1.4260	172	999	0	0	0	0	0	0	0	""	R1	S-36578	S-23100	8PI	56	55	43	70	0	0	1	1
2,2-DIMETHYL-1-PENTANOL	7	16	0	1	0	0	0	0	116	0.000	1.4251	153	999	0	0	0	0	0	0	0	""	R1	S-28872	S-11717	8PI	43	56	41	85	0	0	1	1
3,3-DIMETHYL-2-PENTANOL	7	16	0	1	0	0	0	0	116	0.830	1.4300	147	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,3-DIMETHYL-1-PENTANOL	7	16	0	1	0	0	0	0	116	0.840	1.4314	163	999	0	0	0	0	0	0	0	""	R1	S-9105	S-3921	8PI	43	56	41	57	0	0	1	1
2,4-DIMETHYL-2-PENTANOL	7	16	0	1	0	0	0	0	116	0.812	1.4170	133	999	0	0	0	0	0	0	0	""	R1	S-3673	S-329	8PI	59	41	43	57	0	0	1	1
2,3-DIMETHYL-2-PENTANOL	7	16	0	1	0	0	0	0	116	0.832	1.4268	140	999	0	0	0	0	0	0	0	""	R1	""	""	8PI	59	43	41	57	0	0	1	1
4-METHYL-1-HEXANOL	7	16	0	1	0	0	0	0	116	0.824	1.4250	173	999	0	0	0	0	0	0	0	""	R1	""	""	8PI	70	69	41	29	0	0	1	1
2-METHYL-2-HEXANOL	7	16	0	1	0	0	0	0	116	0.814	1.4190	142	999	0	0	0	0	0	0	0	""	R1	F1-127B	A1-119D	8PI	59	43	41	101	0	0	1	1
2,4-DIMETHYL-3-PENTANOL	7	16	0	1	0	0	0	0	116	0.830	1.4250	139	-8	0	0	0	0	0	0	0	""	R1	F1-124B	A1-116C	8PI	73	55	43	41	0	0	1	1
4-HEPTANOL	7	16	0	1	0	0	0	0	116	0.819	1.4200	155	-42	0	0	0	0	0	0	0	""	R1	S-29810	S-17140	8PI	55	73	43	31	0	0	1	1
2,4-DIMETHYL-1-PENTANOL	7	16	0	1	0	0	0	0	116	0.819	1.4270	159	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
3,3-DIMETHYL-1-PENTANOL	7	16	0	1	0	0	0	0	116	0.832	1.4275	165	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
3,4-DIMETHYL-1-PENTANOL	7	16	0	1	0	0	0	0	116	0.831	1.4290	165	999	0	0	0	0	0	0	0	""	R1	""	""	8PI	43	55	70	56	0	0	1	1
4,4-DIMETHYL-1-PENTANOL	7	16	0	1	0	0	0	0	116	0.815	1.4200	160	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
3-ETHYL-2-PENTANOL	7	16	0	1	0	0	0	0	116	0.838	1.4284	152	999	0	0	0	0	0	0	0	""	R1	A-77G	""	REG	45	70	43	55	0	0	1	1
2-METHYL-2-ETHYL-1-BUTANOL	7	16	0	1	0	0	0	0	116	0.828	1.4310	156	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
3-METHYL-2-ETHYL-1-BUTANOL	7	16	0	1	0	0	0	0	116	0.837	1.4306	999	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,2,3-TRIMETHYL-1-BUTANOL	7	16	0	1	0	0	0	0	116	0.847	1.4346	157	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,3,3-TRIMETHYL-1-BUTANOL	7	16	0	1	0	0	0	0	116	0.830	1.4294	160	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,3,3-TRIMETHYL-2-BUTANOL	7	16	0	1	0	0	0	0	116	0.840	1.4300	131	17	0	0	0	0	0	0	0	""	R1	""	""	REG	59	83	101	51	0	0	1	1
TERT-BUTYL_ISOPROPYL_ETHER	7	16	0	1	0	0	0	0	116	0.740	1.3799	88	999	0	0	0	0	0	0	0	""	B	S-31223	V-183	8PI	59	57	41	101	0	0	1	0
5-CHLOROVALERONITRILE	5	8	1	0	1	0	0	0	117	1.045	1.4462	999	999	0	0	0	0	0	0	0	""	A2	F1-851A	A1-708B	""	54	41	27	82	0	0	1	0
BENZYL_CYANIDE	8	7	1	0	0	0	0	0	117	0.972	1.5230	234	-24	251	168	257	194	263	149	1	S-598	A2	F2-423A	S-135	8PI	117	90	116	89	0	1	3	0
M-TOLUNITRILE	8	7	1	0	0	0	0	0	117	0.976	1.5256	101	-23	227	11000	275	1130	283	1130	1	S-819	A2	F2-445C	A2-419D	8PI	117	116	90	89	0	1	3	0
P-TOLUNITRILE	8	7	1	0	0	0	0	0	117	0.981	0.0000	106	28	232	14700	266	789	272	570	1	S-820	A2	F2-448D	A2-422D	8PI	117	116	90	89	0	1	3	0
O-TOLUNITRILE	8	7	1	0	0	0	0	0	117	0.989	1.5279	205	13	227	11000	275	1370	283	1400	1	S-829	A2	F2-442D	S-174	8PI	117	116	90	89	0	1	3	0
TRICHLOROMETHANE	1	1	0	0	3	0	0	0	118	1.483	1.4459	62	-63	0	0	0	0	0	0	0	""	M3	F1-83A	S-10513	8PI	83	85	47	35	0	0	1	0
3-BROMOPROPYNE	3	3	0	0	0	1	0	0	118	1.335	1.4905	90	999	193	36000	227	5600	0	0	3	A_A2/1	A2	F2-934B	A2-951D	8PI	39	118	120	38	0	0	3	0
DIMETHYL_OXALATE	4	6	0	4	0	0	0	0	118	1.148	0.0000	164	52	0	0	0	0	0	0	0	""	A2	F1-613B	A1-518C	8PI	59	45	29	31	1	0	1	0
SUCCINIC_ACID	4	6	0	4	0	0	0	0	118	0.000	0.0000	999	188	0	0	0	0	0	0	0	""	A2	F1-492A	A1-428C	8PI	55	100	74	45	1	0	1	1
DIETHYL_CARBONATE	5	10	0	3	0	0	0	0	118	0.975	1.3845	127	-43	0	0	0	0	0	0	0	""	A2	F1-611A	S-290	8PI	45	29	31	91	1	0	1	0
2-METHOXYETHYL_ACETATE	5	10	0	3	0	0	0	0	118	1.009	1.4020	145	-65	0	0	0	0	0	0	1	""	A2	F1-666C	A1-561C	8PI	43	45	58	29	1	0	1	0
CYCLOHEXYL_CHLORIDE	6	11	0	0	1	0	0	0	118	1.000	1.4620	142	-44	0	0	0	0	0	0	0	""	A2	F1-103D	A1-94D	8PI	67	82	41	55	0	0	1	0
2-THIAHEPTANE	6	14	0	0	0	0	0	1	118	0.843	1.4506	145	-94	0	0	0	0	0	0	0	""	A1	S-51201	S-23545	8PI	61	70	42	118	0	0	1	0
4-THIAHEPTANE	6	14	0	0	0	0	0	1	118	0.838	1.4487	143	-103	0	0	0	0	0	0	0	""	A1	S-27913	S-17281	8PI	43	89	41	47	0	0	1	0
1-HEXANETHIOL	6	14	0	0	0	0	0	1	118	0.824	1.4497	152	-80	0	0	0	0	0	0	0	""	A1	F1-256A	A1-220A	8PI	56	43	44	55	0	0	1	0
3-THIAHEPTANE	6	14	0	0	0	0	0	1	118	0.838	1.4491	144	-95	0	0	0	0	0	0	0	""	A1	S-54952	S-27091	8PI	75	118	56	29	0	0	1	0
ACETAL	6	14	0	2	0	0	0	0	118	0.831	1.3825	102	999	0	0	0	0	0	0	0	""	A2	F1-214B	A1-183C	8PI	45	73	29	47	0	0	1	0
2-ETHYL-2-METHYL-1,3-PROPANEDIOL	6	14	0	2	0	0	0	0	118	0.000	0.0000	226	44	0	0	0	0	0	0	0	""	A2	F1-129B	A1-121C	""	0	0	0	0	0	0	1	1
1,6-HEXANEDIOL	6	14	0	2	0	0	0	0	118	0.000	0.0000	250	45	0	0	0	0	0	0	0	""	A2	F1-134B	S-12390	8PI	41	42	31	67	0	0	1	1
2,5-HEXANEDIOL	6	14	0	2	0	0	0	0	118	0.961	1.4465	218	999	0	0	0	0	0	0	0	""	A2	F1-134D	A1-126C	8PI	45	56	41	43	0	0	1	1
ISOPROPYL_SULFIDE	6	14	0	0	0	0	0	1	118	0.814	1.4379	120	999	0	0	0	0	0	0	0	""	A2	F1-267D	""	8PI	43	61	41	103	0	0	1	0
PINACOL	6	14	0	2	0	0	0	0	118	0.000	0.0000	172	43	0	0	0	0	0	0	0	""	A2	F1-132A	A1-124B	8PI	59	43	85	57	0	0	1	1
3-AMINOBENZONITRILE	7	6	2	0	0	0	0	0	118	0.000	0.0000	999	52	217	28500	247	7470	317	2660	1	S24078	A2	F2-447C	A2-421C	8PI	118	91	119	64	0	1	2	1
4-AMINOBENZONITRILE	7	6	2	0	0	0	0	0	118	0.000	0.0000	999	84	213	12100	274	22000	0	0	1	S16313	A2	F2-450D	A2-425C	8PI	118	91	28	64	0	1	2	1
2-AMINOBENZONITRILE	7	6	2	0	0	0	0	0	118	0.000	0.0000	268	48	0	0	0	0	0	0	0	""	A2	F2-444D	A2-418D	8PI	118	91	64	39	0	1	2	1
2-PHENYL-1-PROPENE	9	10	0	0	0	0	0	0	118	0.909	1.5386	166	-23	204	22000	215	9400	243	10800	3	S-3630	A1	F1-945C	A1-748D	8PI	118	117	103	78	0	1	3	0
CIS-1-PHENYL-1-PROPENE	9	10	0	0	0	0	0	0	118	0.909	1.5430	167	-62	0	0	0	0	0	0	0	""	A1	""	""	8PI	117	118	115	91	0	1	3	0
P-METHYLSTYRENE	9	10	0	0	0	0	0	0	118	0.922	1.5420	173	-34	210	19500	217	11200	251	15200	1	S-8803	A1	F1-947B	S-35669	8PI	118	117	115	91	0	1	3	0
M-METHYLSTYRENE	9	10	0	0	0	0	0	0	118	0.912	1.5411	172	-86	250	8850	285	500	296	350	2	S-4418	A1	S-47942	S-35641	8PI	118	117	115	91	0	1	3	0
O-METHYLSTYRENE	9	10	0	0	0	0	0	0	118	0.912	1.5437	170	-69	0	0	0	0	0	0	0	""	A1	F1-947A	S-40035	8PI	117	118	115	91	0	1	3	0
TRANS-1-PHENYL-1-PROPENE	9	10	0	0	0	0	0	0	118	0.907	1.5506	178	-29	207	1180	246	1160	282	759	1	S23835	A1	F1-945D	A1-751D	8PI	117	118	115	91	0	1	3	0
ALLYLBENZENE	9	10	0	0	0	0	0	0	118	0.892	1.5122	157	999	253	263	259	283	268	205	1	S-3630	A2	F1-946B	A1-750A	8PI	117	118	91	115	0	1	3	0
3-CYANOPHENOL	7	5	1	1	0	0	0	0	119	0.000	0.0000	999	82	231	7710	294	3100	0	0	1	S-6381	A2	F2-447A	A2-421A	8PI	119	64	91	63	0	1	2	1
2-CYANOPHENOL	7	5	1	1	0	0	0	0	119	0.000	0.0000	999	94	230	7680	235	6590	296	4190	1	S15695	A2	F2-444B	A2-418C	8PI	119	91	64	63	0	1	2	1
4-CYANOPHENOL	7	5	1	1	0	0	0	0	119	0.000	0.0000	999	112	247	4400	284	0	0	0	1	S-6618	A2	F2-450C	A2-424C	8PI	119	64	91	63	0	1	2	1
TRANS-1-BROMO-1-PROPENE	3	5	0	0	0	1	0	0	120	1.416	1.4560	63	-77	0	0	0	0	0	0	0	""	M3	""	""	8PI	41	39	120	122	0	0	3	0
CIS-1-BROMO-1-PROPENE	3	5	0	0	0	1	0	0	120	1.429	1.4560	58	-113	0	0	0	0	0	0	0	""	M3	""	""	8PI	41	39	120	122	0	0	3	0
ALLYL_BROMIDE	3	5	0	0	0	1	0	0	120	1.398	1.4690	71	-50	189	8100	0	0	0	0	3	A_A1/2	A2	F1-93D	A1-87B	8PI	41	39	120	122	0	0	3	0
2-BROMOPROPENE	3	5	0	0	0	1	0	0	120	1.362	1.4425	48	999	0	0	0	0	0	0	0	""	A2	F1-96B	A1-88C	8PI	41	39	120	122	0	0	3	0
TRIMETHYL_ORTHOACETATE	5	12	0	3	0	0	0	0	120	0.944	1.3873	109	999	0	0	0	0	0	0	0	""	A2	F1-217B	A1-185D	8PI	89	31	32	74	0	0	1	0
1-CHLOROHEXANE	6	13	0	0	1	0	0	0	120	0.879	1.4196	135	-94	0	0	0	0	0	0	0	""	M3	F1-58B	A1-61D	8PI	91	55	43	41	0	0	1	0
2-CHLORO-2,3-DIMETHYLBUTANE	6	13	0	0	1	0	0	0	120	0.878	1.4191	112	-10	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
2-CHLORO-3,3-DIMETHYLBUTANE	6	13	0	0	1	0	0	0	120	0.877	1.4182	111	-1	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
3-CHLOROMETHYLPENTANE	6	13	0	0	1	0	0	0	120	0.891	1.4226	127	999	0	0	0	0	0	0	0	""	B	HB	S-19901	HB	71	55	70	41	0	0	1	0
ACETOPHENONE	8	8	0	1	0	0	0	0	120	1.028	1.5308	202	20	242	12600	279	1050	318	60	4	S-953	M1	F2-8B	A2-7D	8PI	105	77	120	51	1	1	3	0
PHENYLACETALDEHYDE	8	8	0	1	0	0	0	0	120	1.027	1.5293	195	-10	0	0	0	0	0	0	0	""	A2	F2-101A	A2-101A	8PI	91	120	92	65	1	1	3	0
O-TOLUALDEHYDE	8	8	0	1	0	0	0	0	120	1.039	1.5472	200	999	249	4550	280	872	0	0	1	S13722	A2	F2-104B	A2-103D	8PI	91	120	119	77	1	1	3	0
M-TOLUALDEHYDE	8	8	0	1	0	0	0	0	120	1.019	1.5411	199	999	249	10100	289	1330	0	0	1	S28854	A2	F2-107A	A2-106A	8PI	91	119	120	92	1	1	3	0
P-TOLUALDEHYDE	8	8	0	1	0	0	0	0	120	1.019	1.5447	205	999	252	17800	278	1550	289	1050	2	S15952	A2	F2-109B	A2-108A	8PI	91	119	120	92	1	1	3	0
PROPYLBENZENE	9	12	0	0	0	0	0	0	120	0.862	1.4920	159	-100	248	1940	253	2090	261	2180	1	S21908	A1	F1-931D	A1-733D	8PI	91	120	92	65	0	1	3	0
1,2,4-TRIMETHYLBENZENE	9	12	0	0	0	0	0	0	120	0.876	1.5048	169	-44	214	8800	267	450	275	475	3	S-316	A1	F1-942A	A1-744D	8PI	105	120	119	39	0	1	3	0
1,2,3-TRIMETHYLBENZENE	9	12	0	0	0	0	0	0	120	0.894	1.5139	176	-25	214	9200	260	180	265	205	3	S16670	A1	F1-941D	S-8846	8PI	105	120	119	77	0	1	3	0
1,3,5-TRIMETHYLBENZENE	9	12	0	0	0	0	0	0	120	0.865	1.4994	165	-45	213	8200	265	219	268	193	4	S-1256	A1	F1-942C	A1-745B	8PI	105	120	119	39	0	1	3	0
ISOPROPYLBENZENE	9	12	0	0	0	0	0	0	120	0.862	1.4915	152	-96	253	228	258	239	260	239	2	S-95	A1	F1-932A	S-10183	8PI	105	120	79	77	0	1	3	0
1-METHYL-4-ETHYLBENZENE	9	12	0	0	0	0	0	0	120	0.861	1.4950	162	-62	0	0	0	0	0	0	0	""	A1	F1-939B	A1-742B	8PI	105	120	77	39	0	1	3	0
1-METHYL-3-ETHYLBENZENE	9	12	0	0	0	0	0	0	120	0.865	1.4967	161	-96	210	6600	264	253	272	215	1	S28846	A1	F1-938B	A1-741B	8PI	105	120	39	91	0	1	3	0
1-METHYL-2-ETHYLBENZENE	9	12	0	0	0	0	0	0	120	0.881	1.5046	165	-81	210	6660	264	253	272	215	1	S-9655	A1	F1-937A	A1-740D	8PI	105	120	77	91	0	1	3	0
1,2,3-TRIMETHLYBENZENE	9	12	0	0	0	0	0	0	120	0.894	1.5149	176	-25	0	0	0	0	0	0	0	S16670	A2	F1-941D	A1-744C	8PI	105	120	119	77	0	1	3	0
BENZAMIDE	7	7	1	1	0	0	0	0	121	0.000	0.0000	999	129	225	11000	268	691	0	0	1	S-744	A2	F2-365C	A2-343D	8PI	105	77	121	51	1	1	2	1
4-ETHYLANILINE	8	11	1	0	0	0	0	0	121	0.968	1.5554	218	-5	236	10300	289	1540	0	0	1	S11849	M1	F1-1202D	A1-1005D	8PI	106	121	77	107	0	1	3	1
4-AMINO-1,3-DIMETHYLBENZENE	8	11	1	0	0	0	0	0	121	0.972	1.5569	214	16	234	7800	287	1850	0	0	1	S-1288	M1	F1-1216B	A1-1023B	8PI	121	120	106	77	0	1	3	1
2,5-DIMETHYLANILINE	8	11	1	0	0	0	0	0	121	0.973	1.5592	218	12	0	0	0	0	0	0	0	""	A2	F1-1216A	A1-1023A	8PI	121	120	106	77	0	1	3	1
N,N-DIMETHYLANILINE	8	11	1	0	0	0	0	0	121	0.956	1.5581	194	3	251	11600	298	2290	0	0	1	S-3	A2	F1-1191B	A1-990D	8PI	120	121	77	105	0	1	3	0
3,5-DIMETHYLANILINE	8	11	1	0	0	0	0	0	121	0.972	1.5578	105	999	0	0	0	0	0	0	0	""	A2	F1-1228D	A1-1038D	REG	121	106	120	77	0	1	3	1
3,4-DIMETHYLANILINE	8	11	1	0	0	0	0	0	121	0.000	0.0000	226	51	0	0	0	0	0	0	0	""	A2	F1-1215C	A1-1022C	8PI	121	120	106	77	0	1	3	1
2,6-DIMETHYLANILINE	8	11	1	0	0	0	0	0	121	0.984	1.5601	216	12	233	7490	283	2020	0	0	1	S15776	A2	F1-1212D	A1-1018C	8PI	121	106	120	77	0	1	3	1
1-PHENYLETHYL_AMINE	8	11	1	0	0	0	0	0	121	0.940	1.5253	185	999	205	8430	246	285	251	280	1	S-1640	A2	F1-1267B	A1-1072D	8PI	106	79	44	77	0	1	3	1
PHENETHYLAMINE	8	11	1	0	0	0	0	0	121	0.965	1.5335	200	999	248	152	253	200	261	220	2	S-113	A2	F1-1269D	A1-1075C	8PI	30	91	65	39	0	1	3	1
2,3-DIMETHYLANILINE	8	11	1	0	0	0	0	0	121	0.993	1.5685	222	2	0	0	0	0	0	0	0	""	A2	F1-1212A	A1-1017D	8PI	121	106	120	77	0	1	3	1
N-ETHYLANILINE	8	11	1	0	0	0	0	0	121	0.963	1.5538	205	-63	246	11000	295	2057	0	0	1	S-2378	A2	F1-1190A	A1-988B	8PI	106	121	77	51	0	1	3	1
3-ETHYLANILINE	8	11	1	0	0	0	0	0	121	0.975	1.5556	212	-8	206	20600	234	12800	284	2840	1	S24084	A2	F1-1197D	A1-999A	8PI	106	121	77	79	0	1	3	1
2-ETHYLANILINE	8	11	1	0	0	0	0	0	121	0.983	1.5590	210	-44	235	8480	285	2570	0	0	2	S-3239	A2	F1-1193B	A1-993C	8PI	106	121	77	79	0	1	3	1
1-BROMOPROPANE	3	7	0	0	0	1	0	0	122	1.354	1.4343	71	-110	0	0	0	0	0	0	0	""	M3	F1-56A	A1-59D	8PI	43	27	41	122	0	0	1	0
2-BROMOPROPANE	3	7	0	0	0	1	0	0	122	1.314	1.4251	59	-89	0	0	0	0	0	0	0	""	M3	F1-65D	V-391	8PI	43	27	41	122	0	0	1	0
BENZOIC_ACID	7	6	0	2	0	0	0	0	122	0.000	0.0000	249	123	226	9800	266	715	279	690	4	S-252	A2	F2-186A	S-57	8PI	105	77	122	51	1	1	2	1
4-HYDROXYBENZALDEHYDE	7	6	0	2	0	0	0	0	122	0.000	0.0000	999	999	218	17100	251	8550	315	2640	1	S-1266	A2	F2-112A	A2-110C	8PI	121	122	65	93	1	1	3	1
3-HYDROXYBENZALDEHYDE	7	6	0	2	0	0	0	0	122	0.000	0.0000	999	105	253	9280	315	2700	0	0	1	S-562	A2	F2-108C	A2-107B	8PI	122	121	93	65	1	1	3	1
SALICYALDEHYDE	7	6	0	2	0	0	0	0	122	1.146	1.5719	197	2	255	10600	326	3600	0	0	4	S-2646	A2	F2-106A	A2-105B	8PI	122	121	65	93	1	1	3	1
1,5-DICYANOPENTANE	7	10	2	0	0	0	0	0	122	0.951	1.4410	999	999	0	0	0	0	0	0	0	""	A2	F1-841D	A1-700A	8PI	55	82	41	54	0	0	1	0
2,3-DIMETHYLPHENOL	8	10	0	1	0	0	0	0	122	0.000	0.0000	218	75	217	7076	273	1610	280	1540	1	S15752	M1	F1-1080D	A1-876A	8PI	107	122	121	77	0	1	3	1
2-PHENYL_ETHANOL	8	10	0	1	0	0	0	0	122	1.020	1.5325	218	999	252	168	258	212	264	160	2	S-466	M1	F1-1152C	A1-956B	8PI	91	92	122	65	0	1	3	1
3,4-DIMETHYLPHENOL	8	10	0	1	0	0	0	0	122	0.983	0.0000	225	63	217	6230	279	1890	0	0	1	S-1162	M1	F1-1086A	A1-879D	8PI	107	122	121	39	0	1	3	1
2,6-DIMETHYLPHENOL	8	10	0	1	0	0	0	0	122	0.000	0.0000	212	49	215	7400	272	1480	278	1430	1	S21874	M1	F1-1081D	A1-876C	8PI	122	107	121	77	0	1	3	1
1-PHENYL_ETHYL_ALCOHOL	8	10	0	1	0	0	0	0	122	1.014	1.5275	203	999	246	149	257	174	263	123	2	S-582	M1	F1-1122A	A1-921D	8PI	107	79	77	43	0	1	3	1
4-ETHYLPHENOL	8	10	0	1	0	0	0	0	122	0.000	1.5260	219	47	223	7090	278	1950	0	0	1	S15819	M1	F1-1076A	A1-873B	8PI	107	122	77	39	0	1	3	1
3-ETHYLPHENOL	8	10	0	1	0	0	0	0	122	1.001	1.5330	214	-4	216	6690	274	1900	279	1680	1	S17860	M1	F1-1073C	A1-871B	8PI	107	122	77	108	0	1	3	1
2,5-DIMETHYLPHENOL	8	10	0	1	0	0	0	0	122	0.965	0.0000	210	74	217	6700	276	2050	0	0	1	D9/T2C	M1	F1-1087C	A1-881D	8PI	107	122	121	77	0	1	3	1
2,4-DIMETHYLPHENOL	8	10	0	1	0	0	0	0	122	0.000	0.0000	210	27	292	5100	0	0	0	0	1	S-178	M1	F1-1087B	A1-881C	8PI	122	107	121	77	0	1	3	1
3,5-DIMETHYLPHENOL	8	10	0	1	0	0	0	0	122	0.968	0.0000	220	999	220	6300	276	1464	282	1464	1	S-349	M1	F1-1084A	A1-878C	8PI	122	107	121	39	0	1	3	1
2-ETHYLPHENOL	8	10	0	1	0	0	0	0	122	1.037	1.5372	196	-18	215	6770	274	1940	0	0	1	S21888	M1	F1-1069C	A1-867C	8PI	107	122	77	79	0	1	3	1
2-METHYLBENZYL_ALCOHOL	8	10	0	1	0	0	0	0	122	0.000	0.0000	999	39	210	9410	261	376	271	287	1	S26477	A2	F1-1126C	A1-931A	8PI	104	91	79	107	0	1	3	1
M-METHYLANISOLE	8	10	0	1	0	0	0	0	122	0.969	1.5130	176	999	217	6590	272	1510	279	1430	1	S-860	A2	F1-1040C	A1-836D	8PI	122	91	77	92	0	1	3	0
O-METHYLANISOLE	8	10	0	1	0	0	0	0	122	0.985	1.5161	172	999	216	6270	271	1750	278	1620	1	S11389	A2	F1-1037B	A1-835C	8PI	122	107	91	77	0	1	3	0
4-METHYLBENZYL_ALCOHOL	8	10	0	1	0	0	0	0	122	0.000	0.0000	217	61	217	9090	265	771	273	621	1	S28777	A2	F1-1132D	A1-936C	8PI	107	122	79	77	0	1	3	1
3-METHYLBENZYL_ALCOHOL	8	10	0	1	0	0	0	0	122	1.015	1.5334	217	999	240	373	251	379	272	272	1	S-278	A2	F1-1129D	A1-934A	""	0	0	0	0	0	1	3	1
P-METHYLANISOLE	8	10	0	1	0	0	0	0	122	0.969	1.5112	174	999	278	1852	284	1543	0	0	1	W-2176	A2	F1-1042C	A1-838C	8PI	122	121	77	107	0	1	3	0
PHENETOLE	8	10	0	1	0	0	0	0	122	0.966	1.5076	170	-30	220	6400	271	1440	278	1190	1	S-77	A2	F1-1035B	A1-833B	8PI	94	122	39	66	0	1	3	0
BENZYL_METHYL_ETHER	8	10	0	1	0	0	0	0	122	0.966	1.5016	170	-52	252	221	258	219	267	106	1	S23112	B	S-27881	S-17256	8PI	91	122	121	77	0	1	3	0
NITROBENZENE	6	5	1	2	0	0	0	0	123	1.196	1.5513	211	6	213	8100	251	9000	322	150	3	S-8	A2	F1-1328D	A1-1131B	8PI	77	51	123	50	0	1	2	0
O-ANISIDINE	7	9	1	1	0	0	0	0	123	1.092	1.5730	225	6	238	8000	288	3200	0	0	2	S-1130	A2	F1-1195C	A1-997C	8PI	108	123	80	28	0	1	3	1
M-ANISIDINE	7	9	1	1	0	0	0	0	123	1.096	1.5794	251	0	234	8000	285	226	0	0	2	S-4566	A2	F1-1199C	A1-1004C	8PI	123	94	93	80	0	1	3	1
P-ANISIDINE	7	9	1	1	0	0	0	0	123	0.000	0.0000	242	59	235	9600	300	2200	0	0	1	S-392	A2	F1-1208B	A1-1013B	8PI	108	123	80	53	0	1	3	1
TRANS-1,4-DICHLORO-2-BUTENE	4	6	0	0	2	0	0	0	124	1.183	1.4900	999	2	0	0	0	0	0	0	0	""	A2	F1-100D	A1-92A	8PI	75	53	89	77	0	0	3	0
3,4-DICHLORO-1-BUTENE	4	6	0	0	2	0	0	0	124	1.150	1.4658	123	-61	0	0	0	0	0	0	0	""	A2	F1-99B	A1-89B	8PI	75	89	77	39	0	0	3	0
1,3-DICHLORO-2-BUTENE	4	6	0	0	2	0	0	0	124	1.161	1.4692	128	999	0	0	0	0	0	0	0	""	A2	F1-99D	A1-91B	HB	53	43	89	27	0	0	3	0
CIS-1,4-DICHLORO-2-BUTENE	4	6	0	0	2	0	0	0	124	1.188	1.4884	152	-48	0	0	0	0	0	0	0	""	A2	F1-100C	A1-91D	8PI	75	53	89	77	0	0	3	0
2-CYANOETHYL_ETHER	6	8	2	1	0	0	0	0	124	1.043	1.4405	999	999	0	0	0	0	0	0	0	""	A2	F1-853D	A1-710A	8PI	54	84	31	41	0	0	1	0
BENZYL_MERCAPTAN	7	8	0	0	0	0	0	1	124	1.058	1.5751	195	999	262	272	269	181	0	0	2	S-1822	A2	F1-1173C	A1-984C	8PI	91	124	65	77	0	1	3	0
2-HYDROXYBENZYL_ALCOHOL	7	8	0	2	0	0	0	0	124	0.000	0.0000	999	85	215	6460	274	2160	0	0	1	S-1263	A2	F1-1128B	A1-933A	8PI	78	106	124	77	0	1	3	1
3-HYDROXYBENZYL_ALCOHOL	7	8	0	2	0	0	0	0	124	0.000	0.0000	999	72	215	9660	275	2900	280	2626	1	S-6083	A2	F1-1131B	A1-936A	8PI	124	95	77	39	0	1	3	1
4-HYDROXYBENZYL_ALCOHOL	7	8	0	2	0	0	0	0	124	0.000	0.0000	999	112	226	9150	277	1680	0	0	1	S-6088	A2	F1-1136A	A1-939D	8PI	124	95	77	107	0	1	3	1
2-METHYLRESORCINOL	7	8	0	2	0	0	0	0	124	0.000	0.0000	264	118	274	1130	279	1100	0	0	1	S-7885	A2	F1-1104D	A1-899A	8PI	78	77	124	51	0	1	3	1
2-METHOXYPHENOL	7	8	0	2	0	0	0	0	124	1.129	1.5429	205	28	218	6050	276	2560	0	0	1	S-36	A2	F1-1072C	A1-870C	8PI	109	124	81	27	0	1	3	1
3-METHOXYPHENOL	7	8	0	2	0	0	0	0	124	1.131	1.5510	999	999	275	1880	280	1655	0	0	1	S-1548	A2	F1-1075C	A1-898D	8PI	124	94	81	39	0	1	3	1
4-METHOXYPHENOL	7	8	0	2	0	0	0	0	124	0.000	0.0000	243	56	225	7400	291	3160	0	0	1	S-423	A2	F1-1079A	A1-902D	8PI	124	94	81	39	0	1	3	1
1-ACETYL-1-CYCLOHEXENE	8	12	0	1	0	0	0	0	124	0.966	1.4900	202	999	0	0	0	0	0	0	0	""	A2	F1-444B	A1-406C	8PI	81	43	109	124	1	0	3	0
1-ETHYNYL-1-CYCLOHEXANOL	8	12	0	1	0	0	0	0	124	0.000	0.0000	180	33	0	0	0	0	0	0	0	""	A2	F2-940A	A2-956C	8PI	81	68	95	53	0	0	3	1
1-BUTYLCYCLOPENTENE	9	16	0	0	0	0	0	0	124	0.807	1.4486	156	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
2-NONYNE	9	16	0	0	0	0	0	0	124	0.769	1.4327	162	999	0	0	0	0	0	0	0	""	A1	S-67437	S-40344	8PI	95	41	43	67	0	0	1	0
1-NONYNE	9	16	0	0	0	0	0	0	124	0.758	1.4219	151	-50	0	0	0	0	0	0	0	""	A1	F2-932C	S-8184	8PI	43	41	27	81	0	0	3	0
3-NONYNE	9	16	0	0	0	0	0	0	124	0.760	1.4288	157	999	0	0	0	0	0	0	0	""	A1	S-51446	S-23396	8PI	67	95	68	81	0	0	1	0
1,8-NONADIENE	9	16	0	0	0	0	0	0	124	0.740	1.4272	142	999	0	0	0	0	0	0	0	""	A2	F1-30A	""	""	0	0	0	0	0	0	3	0
HEPTYL_CYANIDE	8	15	1	0	0	0	0	0	125	0.814	1.4203	205	-46	0	0	0	0	0	0	0	""	M3	F1-838D	A1-696D	8PI	82	41	96	54	0	0	1	0
1,4-DICHLOROBUTANE	4	8	0	0	2	0	0	0	126	1.141	1.4542	154	-37	0	0	0	0	0	0	0	""	M3	F1-74C	S-6674	8PI	55	41	90	62	0	0	1	0
1,1-DICHLOROBUTANE	4	8	0	0	2	0	0	0	126	1.086	1.4355	114	999	0	0	0	0	0	0	0	""	M3	""	""	8PI	55	43	27	41	0	0	1	0
1,3-DICHLOROBUTANE	4	8	0	0	2	0	0	0	126	1.115	1.4431	134	999	0	0	0	0	0	0	0	""	A2	F1-82C	A1-81A	8PI	55	27	90	63	0	0	1	0
2,3-DICHLOROBUTANE	4	8	0	0	2	0	0	0	126	1.107	1.4420	118	-80	0	0	0	0	0	0	0	""	A2	F1-80B	A1-80B	8PI	63	62	27	55	0	0	1	0
1,2,3-TRIHYDROXYBENZENE	6	6	0	3	0	0	0	0	126	0.000	0.0000	309	134	267	718	0	0	0	0	1	S-2278	A2	F1-1103D	A1-905D	8PI	126	108	80	52	0	1	2	1
O-CHLOROTOLUENE	7	7	0	0	1	0	0	0	126	1.082	1.5268	159	-35	213	8100	260	215	274	275	3	S-37	M1	F1-978D	A1-780C	8PI	91	126	128	89	0	1	3	0
BENZYL_CHLORIDE	7	7	0	0	1	0	0	0	126	1.100	1.5380	179	-43	216	6970	253	190	259	231	1	S-5	A2	F1-972D	S-3	8PI	91	126	65	92	0	1	3	0
M-CHLOROTOLUENE	7	7	0	0	1	0	0	0	126	1.072	1.5218	161	-48	212	5560	260	150	265	200	1	S-1116	A2	F1-984D	A1-787C	8PI	91	126	128	63	0	1	3	0
P-CHLOROTOLUENE	7	7	0	0	1	0	0	0	126	1.070	1.5200	162	7	220	11000	262	388	268	527	1	S-212	A2	F1-990D	A1-795A	8PI	91	126	125	128	0	1	3	0
2-ACETYLCYCLOPENTANONE	7	10	0	2	0	0	0	0	126	1.043	1.4905	999	999	0	0	0	0	0	0	0	""	A2	F1-428C	A1-390A	""	0	0	0	0	1	0	1	0
CYCLOOCTANONE	8	14	0	1	0	0	0	0	126	0.958	0.0000	196	40	222	79	290	12	0	0	2	S-5408	A2	F1-437C	A1-399D	8PI	98	41	42	55	1	0	1	0
TRANS-2-OCTENAL	8	14	0	1	0	0	0	0	126	0.846	1.4500	999	999	0	0	0	0	0	0	0	""	A2	""	""	8PI	55	29	70	83	1	0	3	0
CIS-1,2-DIETHYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.796	1.4355	154	-118	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,1-DIETHYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.803	1.4388	151	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
BUTYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.785	1.4316	157	-108	0	0	0	0	0	0	0	""	A1	S-16775	S-8007	8PI	41	69	68	55	0	0	1	0
TRANS-1-METHYL-2-PROPYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.778	1.4274	146	-123	0	0	0	0	0	0	0	""	A1	""	""	REG	55	56	41	83	0	0	1	0
CIS-1-METHYL-2-PROPYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.792	1.4343	153	-104	0	0	0	0	0	0	0	""	A1	""	""	REG	55	56	41	83	0	0	1	0
CIS-1-METHYL-2-ISOPROPYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.792	1.4340	148	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-METHYL-1-ISOPROPYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.799	1.4360	148	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
TRANS-1-METHYL-2-ISOPROPYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.780	1.4290	141	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
TRANS-1,2-DIETHYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.783	1.4295	148	-95	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-METHYL-1-PROPYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.799	1.4370	146	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
ISOBUTYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.781	1.4298	148	-115	0	0	0	0	0	0	0	""	A1	""	""	8PI	41	69	56	83	0	0	1	0
SEC-BUTYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.795	1.4357	154	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
TERT-BUTYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.791	1.4338	145	-96	0	0	0	0	0	0	0	""	A1	""	""	REG	56	57	41	69	0	0	1	0
1,1-DIMETHYL-2-ETHYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.788	1.4320	138	999	0	0	0	0	0	0	0	""	A1	""	""	REG	56	69	55	41	0	0	1	0
CYCLONONANE	9	18	0	0	0	0	0	0	126	0.850	1.4666	178	11	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
PROPYLCYCLOHEXANE	9	18	0	0	0	0	0	0	126	0.794	1.4371	157	-95	0	0	0	0	0	0	0	""	A1	S-36846	S-23131	8PI	83	55	82	41	0	0	1	0
1,1,2,2-TETRAMETHYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.794	1.4340	133	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,TRANS-2-DIMETHYL-1-ETHYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.796	1.4350	144	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,CIS-2-DIMETHYL-1-ETHYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.799	1.4370	144	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,1-DIMETHYL-3-ETHYLCYCLOPENTANE	9	18	0	0	0	0	0	0	126	0.770	1.4210	134	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-NONENE	9	18	0	0	0	0	0	0	126	0.729	1.4157	147	-81	0	0	0	0	0	0	0	""	A1	F1-14B	A1-21A	8PI	43	41	56	55	0	0	3	0
2-METHYL-1-OCTENE	9	18	0	0	0	0	0	0	126	0.734	1.4186	145	-78	0	0	0	0	0	0	0	""	A1	S-16071	S-7730	8PI	56	41	55	43	0	0	3	0
ISOPROPYLCYCLOHEXANE	9	18	0	0	0	0	0	0	126	0.802	1.4399	155	999	0	0	0	0	0	0	0	""	A2	F1-35D	A1-39C	8PI	83	55	82	41	0	0	1	0
TRANS-2-NONENE	9	18	0	0	0	0	0	0	126	0.734	1.4196	145	999	0	0	0	0	0	0	0	""	A2	F1-19C	S-16801	REG	55	126	70	56	0	0	3	0
TRANS-3-NONENE	9	18	0	0	0	0	0	0	126	0.734	1.4188	999	999	0	0	0	0	0	0	0	""	A2	F1-19D	S-3957	REG	41	55	56	69	0	0	3	0
M-CHLOROANILINE	6	6	1	0	1	0	0	0	127	1.216	1.5941	230	-10	242	8680	294	1960	0	0	1	S-376	M1	F1-1198D	A1-1001D	8PI	127	129	65	51	0	1	2	1
O-CHLOROANILINE	6	6	1	0	1	0	0	0	127	1.213	1.5889	209	-2	236	10605	290	3000	0	0	2	S-254	M1	F1-1194D	A1-995A	8PI	127	65	129	92	0	1	2	1
P-CHLOROANILINE	6	6	1	0	1	0	0	0	127	0.000	0.0000	232	70	243	99999	296	16250	0	0	1	S-393	A2	F1-1207A	A1-1010A	8PI	127	65	129	92	0	1	2	1
BROMOCHLOROMETHANE	1	2	0	0	1	1	0	0	128	1.991	1.4830	68	-88	0	0	0	0	0	0	0	""	A2	F1-71B	A1-73B	8PI	49	130	128	51	0	0	1	0
O-CHLOROPHENOL	6	5	0	1	1	0	0	0	128	1.241	1.5579	176	8	215	6800	276	2350	282	2050	1	S-772	A2	F1-1072A	S-1209	8PI	128	64	130	63	0	1	2	1
P-CHLOROPHENOL	6	5	0	1	1	0	0	0	128	1.306	0.0000	220	44	228	9200	284	1792	0	0	1	S-409	A2	F1-1078B	S-17044	8PI	128	130	65	100	0	1	2	1
M-CHLOROPHENOL	6	5	0	1	1	0	0	0	128	0.000	1.5632	214	34	220	7130	276	2060	283	1780	1	S-1282	A2	F1-1075A	A1-872C	8PI	128	130	65	64	0	1	2	1
ALLYL_BUTYRATE	7	12	0	2	0	0	0	0	128	0.902	1.4142	999	999	0	0	0	0	0	0	0	""	A2	F1-534D	A1-534D	8PI	43	71	41	27	1	0	3	0
1,3-DICYANOBENZENE	8	4	2	0	0	0	0	0	128	0.000	0.0000	999	161	220	11400	225	12000	235	6800	1	S-8891	A2	F2-448C	S-9389	8PI	128	101	129	50	0	1	2	0
1,2-DICYANOBENZENE	8	4	2	0	0	0	0	0	128	0.000	0.0000	999	140	232	9800	236	10100	290	2050	1	S-2385	A2	F2-445B	A2-419C	8PI	128	101	129	50	0	1	2	0
1,4-DICYANOBENZENE	8	4	2	0	0	0	0	0	128	0.000	0.0000	999	226	236	21500	245	24500	290	1600	1	S23086	A2	F2-453B	S-13437	8PI	128	101	50	75	0	1	2	0
OCTANAL	8	16	0	1	0	0	0	0	128	0.820	1.4178	173	-27	0	0	0	0	0	0	0	""	A1	F1-468C	A1-360A	8PI	43	41	29	44	1	0	1	0
2-OCTANONE	8	16	0	1	0	0	0	0	128	0.819	1.4153	173	-21	0	0	0	0	0	0	0	""	A1	F1-410B	A1-373D	8PI	43	58	41	71	1	0	1	0
CYCLOOCTANOL	8	16	0	1	0	0	0	0	128	0.974	1.4850	999	15	0	0	0	0	0	0	0	""	A2	F1-167B	A1-155B	8PI	57	68	41	82	0	0	1	1
3-OCTANONE	8	16	0	1	0	0	0	0	128	0.822	1.4150	168	999	0	0	0	0	0	0	0	""	A2	F1-410C	A1-374A	8PI	43	29	57	72	0	0	1	1
NONANE	9	20	0	0	0	0	0	0	128	0.718	1.4054	151	-54	0	0	0	0	0	0	0	""	A1	F1-2B	A1-10B	8PI	43	57	41	29	0	0	1	0
2-METHYLOCTANE	9	20	0	0	0	0	0	0	128	0.713	1.4031	143	-80	0	0	0	0	0	0	0	""	A1	S-16778	S-8010	8PI	43	57	41	71	0	0	1	0
3-METHYLOCTANE	9	20	0	0	0	0	0	0	128	0.721	1.4063	144	-108	0	0	0	0	0	0	0	""	A1	S-67436	S-40343	8PI	57	43	41	56	0	0	1	0
4-METHYLOCTANE	9	20	0	0	0	0	0	0	128	0.720	1.4062	142	-113	0	0	0	0	0	0	0	""	A1	S-15983	S-5048	8PI	43	85	71	57	0	0	1	0
3-ETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.727	1.4093	143	999	0	0	0	0	0	0	0	""	A1	S-48468	S-5448	8PI	57	43	41	29	0	0	1	0
4-ETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.728	1.4096	141	999	0	0	0	0	0	0	0	""	A1	S-56308	S-29075	8PI	43	57	41	85	0	0	1	0
2,2-DIMETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.711	1.4016	133	-113	0	0	0	0	0	0	0	""	A1	S-33642	S-23323	8PI	57	56	41	29	0	0	1	0
2,3-DIMETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.726	1.4085	141	999	0	0	0	0	0	0	0	""	A1	S-56236	S-29020	8PI	43	84	41	85	0	0	1	0
2,4-DIMETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.715	1.4034	133	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	85	41	57	0	0	1	0
2,5-DIMETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.717	1.4038	136	999	0	0	0	0	0	0	0	""	A1	S-56237	S-29021	8PI	57	43	41	29	0	0	1	0
2,6-DIMETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.709	1.4007	135	-103	0	0	0	0	0	0	0	""	A1	S-33643	S-5425	8PI	43	57	41	42	0	0	1	0
3,3-DIMETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.726	1.4088	137	999	0	0	0	0	0	0	0	""	A1	S-36981	S-5680	8PI	43	57	71	41	0	0	1	0
3,4-DIMETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.731	1.4111	141	999	0	0	0	0	0	0	0	""	A1	S-67010	S-40007	8PI	43	57	41	70	0	0	1	0
2,2,4-TRIMETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.716	1.4033	127	-120	0	0	0	0	0	0	0	""	A1	S-36982	S-8935	8PI	57	56	41	29	0	0	1	0
2,2,5-TRIMETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.707	1.3997	124	-106	0	0	0	0	0	0	0	""	A1	S-8085	S-3413	8PI	57	56	41	43	0	0	1	0
4,4-DIMETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.726	1.4076	135	999	0	0	0	0	0	0	0	""	A1	S-56239	S-29023	8PI	43	85	41	57	0	0	1	0
2,3,3-TRIMETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.738	1.4141	138	-117	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	85	57	41	0	0	1	0
2-METHYL-4-ETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.724	1.4068	134	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	27	0	0	1	0
2,3,4-TRIMETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.739	1.4144	139	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	41	71	57	0	0	1	0
3-METHYL-4-ETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.740	1.4149	140	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	70	29	0	0	1	0
3,5-DIMETHYLHEPTANE	9	20	0	0	0	0	0	0	128	0.723	1.4067	136	999	0	0	0	0	0	0	0	""	A1	S-56238	S-29022	8PI	57	29	43	41	0	0	1	0
2-METHYL-3-ETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.734	1.4120	138	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	57	84	41	0	0	1	0
3-METHYL-3-ETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.741	1.4140	141	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	85	0	0	1	0
2,2,3-TRIMETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.730	1.4105	134	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	56	41	43	0	0	1	0
2,3,5-TRIMETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.722	1.4061	131	-128	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	85	41	57	0	0	1	0
2,4,4-TRIMETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.724	1.4075	131	-113	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	41	0	0	1	0
3,3,4-TRIMETHYLHEXANE	9	20	0	0	0	0	0	0	128	0.745	1.4178	141	-101	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	71	57	70	0	0	1	0
3,3-DIETHYLPENTANE	9	20	0	0	0	0	0	0	128	0.754	1.4205	146	-33	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	99	0	0	1	0
2,2-DIMETHYL-3-ETHYLPENTANE	9	20	0	0	0	0	0	0	128	0.735	1.4123	134	-99	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	56	41	43	0	0	1	0
2,3-DIMETHYL-3-ETHYLPENTANE	9	20	0	0	0	0	0	0	128	0.755	1.4221	145	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	85	0	0	1	0
2,4-DIMETHYL-3-ETHYLPENTANE	9	20	0	0	0	0	0	0	128	0.738	1.4137	137	-122	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	85	41	57	0	0	1	0
2,2,3,3-TETRAMETHYLPENTANE	9	20	0	0	0	0	0	0	128	0.757	1.4236	140	-10	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	70	0	0	1	0
2,2,3,4-TETRAMETHYLPENTANE	9	20	0	0	0	0	0	0	128	0.739	1.4147	133	-121	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	56	41	0	0	1	0
2,2,4,4-TETRAMETHYLPENTANE	9	20	0	0	0	0	0	0	128	0.719	1.4069	122	-67	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	56	41	29	0	0	1	0
2,3,3,4-TETRAMETHYLPENTANE	9	20	0	0	0	0	0	0	128	0.755	1.4222	142	-102	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	85	57	41	0	0	1	0
NAPHTHALENE	10	8	0	0	0	0	0	0	128	0.000	0.0000	218	83	220	10600	266	4990	275	5530	1	S-265	A2	F1-956A	A1-759D	8PI	128	127	129	64	0	1	2	0
1-AMINOOCTANE	8	19	1	0	0	0	0	0	129	0.783	1.4294	180	0	0	0	0	0	0	0	0	""	M3	F1-282A	A1-240B	8PI	30	27	41	28	0	0	1	1
DIBUTYLAMINE	8	19	1	0	0	0	0	0	129	0.762	1.4199	160	-62	0	0	0	0	0	0	0	""	M3	F1-297B	S-8772	8PI	86	30	44	29	0	0	1	1
ETHYL_ACETOACETATE	6	10	0	3	0	0	0	0	130	1.021	1.4190	181	-43	243	1163	0	0	0	0	2	S-40	A2	F1-687B	S-10321	8PI	43	88	85	60	1	0	1	0
HEPTANOIC_ACID	7	14	0	2	0	0	0	0	130	0.918	1.4230	223	-6	0	0	0	0	0	0	0	""	A1	F1-482D	S-49	8PI	60	73	43	87	1	0	1	1
AMYL_ACETATE	7	14	0	2	0	0	0	0	130	0.876	1.4019	142	-100	0	0	0	0	0	0	0	""	A2	F1-602BC	A1-509C	8PI	43	70	61	42	1	0	1	0
ISOAMYL_ACETATE	7	14	0	2	0	0	0	0	130	0.876	1.4000	142	-78	0	0	0	0	0	0	0	""	A2	F1-602D	A1-509D	8PI	43	70	55	42	1	0	1	0
METHYL_CAPROATE	7	14	0	2	0	0	0	0	130	0.885	1.4045	151	-71	0	0	0	0	0	0	0	""	A2	F1-606C	S-10160`	8PI	74	43	87	59	1	0	1	0
ETHYL_ISOVALERATE	7	14	0	2	0	0	0	0	130	0.868	1.3964	132	-99	0	0	0	0	0	0	0	""	A2	F1-605D	A1-512A	8PI	29	57	88	85	1	0	1	0
ETHYL_PIVALATE	7	14	0	2	0	0	0	0	130	0.856	1.3900	118	999	0	0	0	0	0	0	0	""	A2	F1-606B	A1-512C	REG	57	41	29	39	1	0	1	0
2-OCTANOL	8	18	0	1	0	0	0	0	130	0.821	1.4260	180	-32	0	0	0	0	0	0	0	""	A1	F1-120B	A1-112C	8PI	45	55	43	41	0	0	1	1
1-OCTANOL	8	18	0	1	0	0	0	0	130	0.826	1.4295	195	-15	0	0	0	0	0	0	0	""	A1	F1-111A	A1-102D	8PI	56	55	41	70	0	0	1	1
3-OCTANOL	8	18	0	1	0	0	0	0	130	0.822	1.4252	175	-45	0	0	0	0	0	0	0	""	R1	F1-121A	S-9513	8PI	59	55	83	41	0	0	1	1
4-OCTANOL	8	18	0	1	0	0	0	0	130	0.819	1.4250	176	-41	0	0	0	0	0	0	0	""	R1	S-36793	S-6809	8PI	69	55	73	41	0	0	1	1
2-METHYL-1-HEPTANOL	8	18	0	1	0	0	0	0	130	0.802	1.4240	175	-112	0	0	0	0	0	0	0	""	R1	""	""	8PI	57	70	56	43	0	0	1	1
3-METHYL-1-HEPTANOL	8	18	0	1	0	0	0	0	130	0.788	1.4250	186	-90	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
4-METHYL-1-HEPTANOL	8	18	0	1	0	0	0	0	130	0.810	1.4280	183	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
5-METHYL-1-HEPTANOL	8	18	0	1	0	0	0	0	130	0.819	1.4292	186	-104	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
6-METHYL-1-HEPTANOL	8	18	0	1	0	0	0	0	130	0.821	1.4270	188	-106	0	0	0	0	0	0	0	""	R1	S-57957	S-30795	8PI	41	55	43	69	0	0	1	1
2-METHYL-2-HEPTANOL	8	18	0	1	0	0	0	0	130	0.811	1.4221	158	-50	0	0	0	0	0	0	0	""	R1	S-43903	S-23062	8PI	59	43	41	115	0	0	1	1
3-METHYL-2-HEPTANOL	8	18	0	1	0	0	0	0	130	0.822	1.4220	166	-114	0	0	0	0	0	0	0	""	R1	S-8505	S-2844	8PI	45	43	41	27	0	0	1	1
4-METHYL-2-HEPTANOL	8	18	0	1	0	0	0	0	130	0.800	1.4245	171	-102	0	0	0	0	0	0	0	""	R1	""	""	8PI	45	43	41	70	0	0	1	1
5-METHYL-2-HEPTANOL	8	18	0	1	0	0	0	0	130	0.814	1.4240	172	-120	0	0	0	0	0	0	0	""	R1	""	""	8PI	45	43	55	41	0	0	1	1
4-METHYL-4-HEPTANOL	8	18	0	1	0	0	0	0	130	0.824	1.4268	161	-82	0	0	0	0	0	0	0	""	R1	S-9008	S-3962	8PI	87	45	43	27	0	0	1	1
2-ETHYL-1-HEXANOL	8	18	0	1	0	0	0	0	130	0.833	1.4316	184	-70	0	0	0	0	0	0	0	""	R1	F1-117B	A1-108D	8PI	57	41	43	55	0	0	1	1
2-METHYL-3-HEPTANOL	8	18	0	1	0	0	0	0	130	0.824	1.4266	167	-85	0	0	0	0	0	0	0	""	R1	S-4648	S-875	8PI	69	41	73	87	0	0	1	1
2,2-DIMETHYL-1-HEXANOL	8	18	0	1	0	0	0	0	130	0.827	1.4300	172	999	0	0	0	0	0	0	0	""	R1	""	""	8PI	57	43	41	99	0	0	1	1
4-METHYL-3-HEPTANOL	8	18	0	1	0	0	0	0	130	0.798	1.4200	155	-123	0	0	0	0	0	0	0	""	R1	F1-125A	S-17389	8PI	59	27	31	41	0	0	1	1
3,3-DIMETHYL-1-HEXANOL	8	18	0	1	0	0	0	0	130	0.839	1.4328	999	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2-METHYL-4-HEPTANOL	8	18	0	1	0	0	0	0	130	0.814	1.4216	166	-81	0	0	0	0	0	0	0	""	R1	""	S-37987	8PI	55	43	69	73	0	0	1	1
6-METHYL-2-HEPTANOL	8	18	0	1	0	0	0	0	130	0.807	1.4240	172	-105	0	0	0	0	0	0	0	""	R1	S-8511	S-2845	8PI	45	43	55	41	0	0	1	1
3-METHYL-3-HEPTANOL	8	18	0	1	0	0	0	0	130	0.829	1.4283	161	-83	0	0	0	0	0	0	0	""	R1	S-4649	S-876	8PI	73	43	55	101	0	0	1	1
5-METHYL-3-HEPTANOL	8	18	0	1	0	0	0	0	130	0.818	1.4180	154	-91	0	0	0	0	0	0	0	""	R1	S-10663	S-2784	8PI	59	57	83	29	0	0	1	1
3-METHYL-4-HEPTANOL	8	18	0	1	0	0	0	0	130	0.837	1.4230	165	999	0	0	0	0	0	0	0	""	R1	S-9123	S-3927	8PI	55	73	43	45	0	0	1	1
3,5-DIMETHYL-1-HEXANOL	8	18	0	1	0	0	0	0	130	0.828	1.4250	182	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
4,4-DIMETHYL-1-HEXANOL	8	18	0	1	0	0	0	0	130	0.000	1.4351	999	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,3-DIMETHYL-2-HEXANOL	8	18	0	1	0	0	0	0	130	0.836	1.4330	160	999	0	0	0	0	0	0	0	""	R1	S-9815	S-4564	REG	59	43	41	39	0	0	1	1
2,4-DIMETHYL-2-HEXANOL	8	18	0	1	0	0	0	0	130	0.810	1.4240	151	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,5-DIMETHYL-2-HEXANOL	8	18	0	1	0	0	0	0	130	0.816	1.4212	152	999	0	0	0	0	0	0	0	""	R1	S-7852	S-3780	8PI	59	43	41	55	0	0	1	1
3,3-DIMETHYL-2-HEXANOL	8	18	0	1	0	0	0	0	130	0.846	1.4350	999	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,2,4-TRIMETHYL-1-PENTANOL	8	18	0	1	0	0	0	0	130	0.838	1.4300	168	-70	0	0	0	0	0	0	0	""	R1	S-10032	S-4385	8PI	43	55	41	57	0	0	1	1
2,3,4-TRIMETHYL-1-PENTANOL	8	18	0	1	0	0	0	0	130	0.850	1.4392	183	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
5,5-DIMETHYL-2-HEXANOL	8	18	0	1	0	0	0	0	130	0.000	1.4229	166	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,4,4-TRIMETHYL-1-PENTANOL	8	18	0	1	0	0	0	0	130	0.833	1.4280	171	999	0	0	0	0	0	0	0	""	R1	F1-117A	A1-108C	8PI	57	41	56	55	0	0	1	1
4-ETHYL-3-HEXANOL	8	18	0	1	0	0	0	0	130	0.820	1.4332	164	999	0	0	0	0	0	0	0	""	R1	S-33406	S-21192	""	0	0	0	0	0	0	1	1
2-METHYL-3-ETHYL-2-PENTANOL	8	18	0	1	0	0	0	0	130	0.838	1.4325	158	999	0	0	0	0	0	0	0	""	R1	S-41905	""	""	0	0	0	0	0	0	1	1
2,3-DIMETHYL-3-HEXANOL	8	18	0	1	0	0	0	0	130	0.837	1.4306	158	999	0	0	0	0	0	0	0	""	R1	""	""	8PI	87	45	43	41	0	0	1	1
3-METHYL-3-ETHYL-2-PENTANOL	8	18	0	1	0	0	0	0	130	0.858	1.4488	999	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,5-DIMETHYL-3-HEXANOL	8	18	0	1	0	0	0	0	130	0.819	1.4240	159	999	0	0	0	0	0	0	0	""	R1	S-7975	S-17517	8PI	69	43	41	57	0	0	1	1
4-METHYL-3-ETHYL-2-PENTANOL	8	18	0	1	0	0	0	0	130	0.000	1.4331	164	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
3,5-DIMETHYL-3-HEXANOL	8	18	0	1	0	0	0	0	130	0.827	1.4265	152	999	0	0	0	0	0	0	0	""	R1	S-44859	S-23092	8PI	73	43	55	41	0	0	1	1
2,3,3-TRIMETHYL-2-PENTANOL	8	18	0	1	0	0	0	0	130	0.819	1.4380	160	-1	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
5,5-DIMETHYL-3-HEXANOL	8	18	0	1	0	0	0	0	130	0.000	1.4258	153	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,3,4-TRIMETHYL-2-PENTANOL	8	18	0	1	0	0	0	0	130	0.808	1.4370	158	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
4-METHYL-2-ETHYL-1-PENTANOL	8	18	0	1	0	0	0	0	130	0.827	1.4270	177	999	0	0	0	0	0	0	0	""	R1	S-21350	S-9452	8PI	57	43	41	56	0	0	1	1
2,4,4-TRIMETHYL-2-PENTANOL	8	18	0	1	0	0	0	0	130	0.823	1.4280	146	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
3,4-DIMETHYL-2-HEXANOL	8	18	0	1	0	0	0	0	130	0.000	1.4362	171	999	0	0	0	0	0	0	0	""	R1	S-44857	S-23091	8PI	45	43	41	57	0	0	1	1
3,3,4-TRIMETHYL-2-PENTANOL	8	18	0	1	0	0	0	0	130	0.856	1.4381	164	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,2-DIMETHYL-3-HEXANOL	8	18	0	1	0	0	0	0	130	0.834	1.4262	156	999	0	0	0	0	0	0	0	""	R1	S-10650	S-2766	8PI	55	41	57	43	0	0	1	1
3,4,4-TRIMETHYL-2-PENTANOL	8	18	0	1	0	0	0	0	130	0.841	1.4355	158	27	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
3,4-DIMETHYL-3-HEXANOL	8	18	0	1	0	0	0	0	130	0.838	1.4350	152	999	0	0	0	0	0	0	0	""	R1	S-10651	S-2767	""	0	0	0	0	0	0	1	1
2,2,3-TRIMETHYL-3-PENTANOL	8	18	0	1	0	0	0	0	130	0.846	1.4355	152	-6	0	0	0	0	0	0	0	""	R1	S-44862	""	""	0	0	0	0	0	0	1	1
2-METHYL-2-ETHYL-1-PENTANOL	8	18	0	1	0	0	0	0	130	0.000	1.4358	174	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
3-ETHYL-3-HEXANOL	8	18	0	1	0	0	0	0	130	0.838	1.4300	159	999	0	0	0	0	0	0	0	""	R1	""	""	8PI	101	87	59	45	0	0	1	1
2,4-DIMETHYL-3-HEXANOL	8	18	0	1	0	0	0	0	130	0.000	1.4310	160	999	0	0	0	0	0	0	0	""	R1	S-4594	S-31886	8PI	73	45	43	87	0	0	1	1
4,4-DIMETHYL-3-HEXANOL	8	18	0	1	0	0	0	0	130	0.834	1.4345	159	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,2,3-TRIMETHYL-1-PENTANOL	8	18	0	1	0	0	0	0	130	0.000	1.4398	174	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,2,4-TRIMETHYL-3-PENTANOL	8	18	0	1	0	0	0	0	130	0.832	1.4286	151	-11	0	0	0	0	0	0	0	""	R1	S-28593	S-25518	""	0	0	0	0	0	0	1	1
2,3,4-TRIMETHYL-3-PENTANOL	8	18	0	1	0	0	0	0	130	0.849	1.4350	157	999	0	0	0	0	0	0	0	""	R1	S-8028	S-8244	8PI	43	41	69	45	0	0	1	1
3-METHYL-2-ISOPROPYL-1-BUTANOL	8	18	0	1	0	0	0	0	130	0.843	1.4345	173	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,2-DIETHYL-1-BUTANOL	8	18	0	1	0	0	0	0	130	0.000	1.4430	999	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
3,3-DIMETHYL-2-ETHYL-1-BUTANOL	8	18	0	1	0	0	0	0	130	0.843	1.4370	999	999	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
BUTYL_ETHER	8	18	0	1	0	0	0	0	130	0.764	1.3988	143	-98	0	0	0	0	0	0	0	""	A2	F1-204C	S-6656	8PI	57	29	41	87	0	0	1	0
3-OCTANOL	8	18	0	1	0	0	0	0	130	0.819	1.4262	176	999	0	0	0	0	0	0	0	""	A2	F1-121A	A1-112B	8PI	59	55	83	41	0	0	1	1
4-CYANOBENZALDEHYDE	8	5	1	1	0	0	0	0	131	0.000	0.0000	999	102	231	12000	235	11900	247	5460	1	S-6467	A2	F2-451D	A2-427B	HB	130	102	131	75	1	1	3	0
3-CYANOBENZALDEHYDE	8	5	1	1	0	0	0	0	131	0.000	0.0000	210	77	271	799	279	829	293	340	1	S16793	A2	F2-448A	A2-422A	""	0	0	0	0	1	1	3	0
3-PHENYLPROPIONITRILE	9	9	1	0	0	0	0	0	131	1.001	1.5210	999	-2	247	118	252	159	258	196	1	S-8797	A2	F2-424C	A2-395C	8PI	91	131	65	51	0	1	3	0
P-METHYLBENZYL_CYANIDE	9	9	1	0	0	0	0	0	131	0.992	1.5190	243	18	0	0	0	0	0	0	0	""	A2	F2-433C	A2-408C	""	0	0	0	0	0	1	3	0
M-METHYLBENZYL_CYANIDE	9	9	1	0	0	0	0	0	131	1.002	1.5200	240	999	0	0	0	0	0	0	0	""	A2	F2-431C	A2-406D	8PI	91	39	51	104	0	1	3	0
O-METHYLBENZYL_CYANIDE	9	9	1	0	0	0	0	0	131	1.056	1.5275	212	999	208	9010	262	274	269	232	1	S-7993	A2	F2-429A	A2-404D	""	0	0	0	0	0	1	3	0
1,1,2-TRICHLOROETHANE	2	3	0	0	3	0	0	0	132	1.440	1.4714	114	-37	0	0	0	0	0	0	0	""	M3	F1-85A	A1-83A	8PI	83	97	61	85	0	0	1	0
1,1,1-TRICHLOROETHANE	2	3	0	0	3	0	0	0	132	1.339	1.4379	74	-30	0	0	0	0	0	0	0	""	M3	F1-84D	S-9179	8PI	97	99	61	117	0	0	1	0
DIMETHYL_MALONATE	5	8	0	4	0	0	0	0	132	1.156	1.4130	181	-62	0	0	0	0	0	0	0	""	A2	F1-614A	S-315	8PI	59	101	42	74	1	0	1	0
ACETYLACETALDEHYDE_DIMETHYL_ACETAL	6	12	0	3	0	0	0	0	132	0.993	1.4150	999	999	0	0	0	0	0	0	0	""	A2	F1-423B	A1-384B	8PI	43	75	47	101	1	0	1	0
2-ETHOXYETHYL_ACETATE	6	12	0	3	0	0	0	0	132	0.975	1.4040	156	-61	0	0	0	0	0	0	0	""	A2	F1-666D	A1-561D	8PI	43	31	59	72	1	0	1	0
1-HEPTANETHIOL	7	16	0	0	0	0	0	1	132	0.843	1.4522	176	-43	0	0	0	0	0	0	0	""	A1	F1-256B	S-297	8PI	56	70	41	55	0	0	1	0
2-METHYL-2-PROPYL-1,3-PROPANEDIOL	7	16	0	2	0	0	0	0	132	0.000	0.0000	230	55	0	0	0	0	0	0	0	""	A2	F1-129C	A1-122B	8PI	84	55	56	83	0	0	1	1
4-AMINOBENZYL_CYANIDE	8	8	2	0	0	0	0	0	132	0.000	0.0000	312	45	0	0	0	0	0	0	0	""	A2	F2-435B	A2-410C	8PI	106	133	107	132	0	1	3	1
TRANS-CINNAMALDEHYDE	9	8	0	1	0	0	0	0	132	1.048	1.6221	248	999	218	12400	255	11600	284	25000	1	S-424	A2	F2-102A	S-101	8PI	131	132	103	77	1	1	3	0
1,2,3,4-TETRAHYDRONAPHTHALENE(TETRALIN)	10	12	0	0	0	0	0	0	132	0.973	1.5411	207	-35	0	0	0	0	0	0	0	""	A2	F1-937D	A1-738D	8PI	104	132	91	117	0	1	3	0
3-BROMOPROPIONITRILE	3	4	1	0	0	1	0	0	133	1.615	1.4800	999	999	0	0	0	0	0	0	0	""	A2	F1-850A	A1-707C	8PI	133	135	54	93	0	0	1	0
MANDELONITRILE	8	7	1	1	0	0	0	0	133	1.117	1.5315	999	999	0	0	0	0	0	0	0	""	A2	F2-426B	A2-401C	REG	105	106	133	77	0	1	3	1
4-HYDROXYBENZYL_CYANIDE	8	7	1	1	0	0	0	0	133	0.000	0.0000	999	71	0	0	0	0	0	0	0	""	A2	F2-434D	A2-410A	8PI	133	78	132	77	0	1	3	1
4-METHOXYBENZONITRILE	8	7	1	1	0	0	0	0	133	0.000	0.0000	256	59	225	9520	275	1485	282	1290	1	S-4049	A2	F2-450B	A2-424D	8PI	133	90	103	63	0	1	3	0
3-METHOXYBENZONITRILE	8	7	1	1	0	0	0	0	133	1.089	1.5402	999	999	230	0	291	0	0	0	4	L-12	A2	F2-447B	A2-421B	""	0	0	0	0	0	1	3	0
2-METHOXYBENZONITRILE	8	7	1	1	0	0	0	0	133	1.093	1.5465	999	999	0	0	0	0	0	0	0	""	A2	F2-444C	""	""	0	0	0	0	0	1	3	0
TRANS-1-BROMO-1-BUTENE	4	7	0	0	0	1	0	0	134	1.320	1.4560	95	-100	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	3	0
CIS-1-BROMO-1-BUTENE	4	7	0	0	0	1	0	0	134	1.319	1.4560	86	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	3	0
2-BROMO-CIS-2-BUTENE	4	7	0	0	0	1	0	0	134	1.324	1.4580	86	-111	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	3	0
2-BROMO-TRANS-2-BUTENE	4	7	0	0	0	1	0	0	134	1.329	1.4570	95	-115	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	3	0
2-BROMO-1-BUTENE	4	7	0	0	0	1	0	0	134	1.314	1.4537	81	-133	0	0	0	0	0	0	0	""	M3	S-47650	S-11678	""	0	0	0	0	0	0	3	0
2-METHOXYETHYL_ETHER	6	14	0	3	0	0	0	0	134	0.937	1.4087	162	-64	0	0	0	0	0	0	1	""	A2	F1-206C	A1-175B	8PI	59	29	45	58	0	0	1	0
1-CHLOROHEPTANE	7	15	0	0	1	0	0	0	134	0.876	1.4256	159	-70	0	0	0	0	0	0	0	""	M3	F1-59A	A1-62C	8PI	91	41	43	55	0	0	1	0
TEREPHTHALDICARBOXALDEHYDE	8	6	0	2	0	0	0	0	134	0.000	0.0000	248	116	254	17800	0	0	0	0	1	S-5240	A2	F2-113A	A2-111C	8PI	134	133	105	77	1	1	3	0
PROPIOPHENONE	9	10	0	1	0	0	0	0	134	1.010	1.5268	217	19	240	14700	278	1190	0	0	1	S-109	M1	F2-8C	A2-8A	8PI	105	77	51	134	1	1	3	0
2-ALLYLPHENOL	9	10	0	1	0	0	0	0	134	1.028	1.5455	220	999	274	2270	0	0	0	0	1	S20863	A2	F1-1070D	A1-869A	8PI	134	133	119	91	0	1	3	1
ALLYL_PHENYL_ETHER	9	10	0	1	0	0	0	0	134	0.978	1.5200	192	999	221	8400	271	1964	277	1775	2	S-522	A2	F1-1052B	A1-848C	8PI	41	134	94	39	0	1	3	0
CINNAMYL_ALCOHOL	9	10	0	1	0	0	0	0	134	1.044	0.0000	250	34	251	12060	283	1715	291	1340	1	S-74	A2	F1-1124A	A1-930D	8PI	92	134	91	105	0	1	3	1
3-PHENYLPROPANAL	9	10	0	1	0	0	0	0	134	1.019	1.5255	999	999	208	9260	258	276	261	274	1	S-5535	A2	F2-101B	S-17199	8PI	91	92	78	134	1	1	3	0
M-METHYLACETOPHENONE	9	10	0	1	0	0	0	0	134	0.986	1.5290	220	-9	245	11600	287	1280	0	0	1	S22147	A2	F2-15C	A2-24D	8PI	119	91	134	65	1	1	3	0
O-METHYLACETOPHENONE	9	10	0	1	0	0	0	0	134	1.026	1.5302	214	999	242	9410	286	1450	0	0	1	S22162	A2	F2-12D	A2-24C	8PI	119	91	134	65	1	1	3	0
P-METHYLACETOPHENONE	9	10	0	1	0	0	0	0	134	1.005	1.5328	226	24	252	12300	0	0	0	0	1	S-270	A2	F2-25B	S-10188	8PI	119	91	134	65	1	1	3	0
2-PHENYLPROPIONALDEHYDE	9	10	0	1	0	0	0	0	134	1.011	1.5176	999	999	241	424	245	419	256	303	1	S-5037	A2	F2-101C	A2-101B	8PI	105	77	91	43	1	1	3	0
1-METHYL-2-ISOPROPYLBENZENE	10	14	0	0	0	0	0	0	134	0.877	1.5006	178	-72	0	0	0	0	0	0	0	""	A1	""	""	8PI	119	134	91	39	0	1	3	0
1,3-DIMETHYL-2-ETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.890	1.5107	190	-16	0	0	0	0	0	0	0	""	A1	S-16067	""	8PI	119	134	91	120	0	1	3	0
1,2-DIMETHYL-4-ETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.875	1.5031	190	-67	0	0	0	0	0	0	0	""	A1	S-8186	J100-165	8PI	119	134	91	120	0	1	3	0
SEC-BUTYLBENZENE	10	14	0	0	0	0	0	0	134	0.862	1.4902	173	-75	253	200	261	246	267	200	1	S-1739	A1	F1-932C	A1-736D	8PI	105	134	91	77	0	1	3	0
TERT-BUTYLBENZENE	10	14	0	0	0	0	0	0	134	0.867	1.4927	169	-58	252	161	257	203	263	146	2	S-228	A1	F1-933A	A1-737B	8PI	119	91	134	41	0	1	3	0
1,2,4,5-TETRAMETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.840	0.0000	197	80	217	9500	269	640	278	685	3	S-355	A2	F1-944A	A1-746D	8PI	119	134	133	91	0	1	3	0
1-METHYL-2-PROPYLBENZENE	10	14	0	0	0	0	0	0	134	0.874	1.4998	185	-60	0	0	0	0	0	0	0	""	A1	""	""	8PI	105	134	77	106	0	1	3	0
1,2,3,4-TETRAMETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.905	1.5203	205	-6	269	696	273	636	278	723	1	S-6956	A1	F1-944B	A1-747C	8PI	119	134	91	39	0	1	3	0
1-METHYL-3-PROPYLBENZENE	10	14	0	0	0	0	0	0	134	0.861	1.4936	182	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	105	134	106	77	0	1	3	0
1,3-DIMETHYL-5-ETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.865	1.4981	184	-84	0	0	0	0	0	0	0	""	A1	""	""	8PI	119	134	120	91	0	1	3	0
1-METHYL-4-PROPYLBENZENE	10	14	0	0	0	0	0	0	134	0.858	1.4919	183	-64	0	0	0	0	0	0	0	""	A1	""	""	8PI	105	134	106	77	0	1	3	0
1,2-DIMETHYL-3-ETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.892	1.5117	194	-50	0	0	0	0	0	0	0	""	A1	""	""	8PI	119	134	91	120	0	1	3	0
ISOBUTYLBENZENE	10	14	0	0	0	0	0	0	134	0.853	1.4865	173	-51	259	221	264	170	268	174	1	S-9995	A1	F1-932D	S-9158	8PI	91	92	134	43	0	1	3	0
1,2,3,5-TETRAMETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.890	1.5130	198	-24	269	448	273	389	277	376	1	S18523	A1	F1-943D	S-11621	8PI	119	134	91	39	0	1	3	0
1,4-DIMETHYL-2-ETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.878	1.5043	187	-54	0	0	0	0	0	0	0	""	A1	S-16055	S-8172	8PI	119	134	91	105	0	1	3	0
1,3-DIMETHYL-4-ETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.876	1.5038	188	-63	0	0	0	0	0	0	0	""	A1	S-56305	S-29073	8PI	119	134	91	120	0	1	3	0
P-DIETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.862	1.4948	184	-43	213	7940	218	7980	273	513	1	S-8529	A1	F1-939C	A1-742C	8PI	119	105	134	91	0	1	3	0
BUTYLBENZENE	10	14	0	0	0	0	0	0	134	0.860	1.4898	183	-88	254	200	261	246	268	200	2	S-1739	A1	F1-932B	A1-734A	8PI	91	92	134	65	0	1	3	0
1-METHYL-3-ISOPROPYLBENZENE	10	14	0	0	0	0	0	0	134	0.861	1.4930	175	-64	0	0	0	0	0	0	0	""	A1	""	""	8PI	119	134	91	39	0	1	3	0
1-METHYL-4-ISOPROPYLBENZENE	10	14	0	0	0	0	0	0	134	0.857	1.4909	177	-68	276	1550	279	1675	285	1500	2	S-324	A1	F1-939D	A1-742D	8PI	119	134	91	120	0	1	3	0
O-DIETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.880	1.5035	183	-31	211	8680	263	296	271	255	1	S-8528	A1	F1-937B	A1-740C	8PI	105	119	134	91	0	1	3	0
M-DIETHYLBENZENE	10	14	0	0	0	0	0	0	134	0.864	1.4955	181	-84	264	265	268	196	272	225	2	S-6025	A1	F1-938C	A1-741C	8PI	119	105	134	91	0	1	3	0
ACETANILIDE	8	9	1	1	0	0	0	0	135	0.000	0.0000	304	114	241	15660	0	0	0	0	1	S-63	A2	F2-356B	A2-334A	8PI	93	135	43	65	1	1	3	1
O-AMINOACETOPHENONE	8	9	1	1	0	0	0	0	135	1.112	0.0000	999	20	226	25600	256	6270	0	0	1	S-584	B	F2-47C	A2-49B	8PI	120	135	92	65	1	1	3	1
M-AMINOACETOPHENONE	8	9	1	1	0	0	0	0	135	0.000	0.0000	290	97	232	24300	256	7300	337	2100	1	S-518	A2	F2-47D	A2-49C	8PI	120	92	135	65	1	1	3	1
P-AMINOACETOPHENONE	8	9	1	1	0	0	0	0	135	0.000	0.0000	293	106	233	6570	316	20500	0	0	1	S-1387	A2	F2-48A	A2-49D	8PI	120	135	92	65	1	1	3	1
P-TOLUAMIDE	8	9	1	1	0	0	0	0	135	0.000	0.0000	999	163	234	14450	0	0	0	0	1	S-568	A2	F2-370C	S-693	8PI	105	135	77	51	1	1	3	1
O-TOLUAMIDE	8	9	1	1	0	0	0	0	135	0.000	0.0000	999	142	269	600	0	0	0	0	1	S-566	A2	S-8236	S-3163	8PI	91	135	119	65	1	1	3	1
M-TOLUAMIDE	8	9	1	1	0	0	0	0	135	0.000	0.0000	999	96	229	10500	276	950	0	0	1	S-567	A2	S-28255	S-692	""	0	0	0	0	1	1	3	1
3-PHENYL-1-PROPYLAMINE	9	13	1	0	0	0	0	0	135	0.951	1.5260	221	999	254	329	259	366	268	284	1	S28897	A2	F1-1270C	A1-1082B	8PI	30	118	91	117	0	1	3	1
2,4,6-TRIMETHYLANILINE	9	13	1	0	0	0	0	0	135	0.963	1.5510	233	999	234	7770	288	2050	0	0	1	S-1549	A2	F1-1232A	A1-1040C	REG	120	135	134	91	0	1	3	1
1-BROMOBUTANE	4	9	0	0	0	1	0	0	136	1.276	1.4401	102	-112	0	0	0	0	0	0	0	""	M3	F1-56D	S-6380	8PI	57	41	29	27	0	0	1	0
1-BROMO-2-METHYLPROPANE	4	9	0	0	0	1	0	0	136	1.265	1.4350	92	-117	0	0	0	0	0	0	0	""	M3	F1-68D	A1-70A	8PI	57	41	43	29	0	0	1	0
2-BROMO-2-METHYLPROPANE	4	9	0	0	0	1	0	0	136	1.221	1.4278	73	-16	0	0	0	0	0	0	0	""	M3	F1-67C	A1-69B	8PI	57	41	29	39	0	0	1	0
2-BROMOBUTANE	4	9	0	0	0	1	0	0	136	1.259	1.4367	91	-112	0	0	0	0	0	0	0	""	M3	F1-66C	A1-68C	8PI	57	41	29	27	0	0	1	0
PENTAERYTHRITOL	5	12	0	4	0	0	0	0	136	0.000	0.0000	999	258	0	0	0	0	0	0	0	""	A2	F1-184B	A1-172A	8PI	57	42	70	31	0	0	1	1
METHYL_BENZOATE	8	8	0	2	0	0	0	0	136	1.089	1.5168	199	-12	228	11000	272	830	280	686	1	S-319	M1	F2-291B	A2-281A	8PI	105	77	136	51	1	1	3	0
P-ANISALDEHYDE	8	8	0	2	0	0	0	0	136	1.119	1.5713	248	-1	220	11853	273	12080	0	0	1	S-536	A2	F2-111B	A2-109C	8PI	135	136	77	92	1	1	3	0
M-ANISALDEHYDE	8	8	0	2	0	0	0	0	136	1.112	1.5523	999	999	219	21600	252	5250	310	2570	1	S16956	A2	F2-108B	A2-107A	8PI	136	135	107	77	1	1	3	0
O-ANISALDEHYDE	8	8	0	2	0	0	0	0	136	1.127	0.0000	238	38	247	10900	308	4600	0	0	2	S-3456	A2	F2-105C	A2-104D	8PI	136	77	135	119	1	1	3	0
4-HYDROXYACETOPHENONE	8	8	0	2	0	0	0	0	136	1.109	0.0000	999	108	219	11020	275	15500	0	0	1	S-1066	A2	F2-44B	A2-34C	8PI	121	136	93	65	1	1	3	1
2-HYDROXYACETOPHENONE	8	8	0	2	0	0	0	0	136	1.131	1.5584	999	6	239	9000	272	1060	279	1010	1	S21957	A2	F2-40A	S-532	8PI	121	136	65	93	1	1	3	1
3-HYDROXYACETOPHENONE	8	8	0	2	0	0	0	0	136	1.100	0.0000	296	89	217	19500	249	8080	309	2290	1	S-4491	A2	F2-44A	A2-34B	8PI	121	136	93	65	1	1	3	1
PHENYL_ACETATE	8	8	0	2	0	0	0	0	136	1.073	1.5030	196	999	264	363	270	376	276	300	2	S-1400	A2	F2-312B	A2-301C	8PI	94	43	66	136	1	1	3	0
PHENYLACETIC_ACID	8	8	0	2	0	0	0	0	136	1.081	0.0000	265	79	247	110	258	174	264	136	1	S-474	A2	F2-137A	A2-135A	8PI	91	136	96	65	1	1	3	1
P-TOLUIC_ACID	8	8	0	2	0	0	0	0	136	0.000	0.0000	275	182	236	13500	280	614	0	0	1	S-565	A2	F2-193B	A2=190C	8PI	91	119	136	65	1	1	3	1
M-TOLUIC_ACID	8	8	0	2	0	0	0	0	136	1.054	0.0000	263	110	230	10200	278	1190	0	0	1	S-52	A2	F2-190B	A2-187C	8PI	91	136	119	65	1	1	3	1
O-TOLUIC_ACID	8	8	0	2	0	0	0	0	136	1.062	0.0000	259	105	229	8460	278	1250	0	0	1	S-51	A2	F2-186C	A2-183B	8PI	91	118	136	119	1	1	3	1
BENZYL_FORMATE	8	8	0	2	0	0	0	0	136	1.080	1.5143	202	999	251	185	257	223	263	174	1	S-436	B	S-15143	S-6694	8PI	91	90	136	108	1	1	3	1
1,6-DICYANOHEXANE	8	12	2	0	0	0	0	0	136	0.954	1.4436	999	-3	0	0	0	0	0	0	0	""	A2	F1-842A	A1-700B	8PI	41	96	55	39	0	0	1	0
4-PROPYLPHENOL	9	12	0	1	0	0	0	0	136	0.980	1.5245	232	22	0	0	0	0	0	0	0	""	M1	F1-1076B	A1-873C	8PI	107	136	77	108	0	1	3	1
3-PROPYLPHENOL	9	12	0	1	0	0	0	0	136	0.000	0.0000	228	26	216	6420	274	1836	279	1640	1	S-5045	M1	S-38959	""	8PI	107	108	136	77	0	1	3	1
2-PROPYLPHENOL	9	12	0	1	0	0	0	0	136	0.989	1.5279	224	999	214	5960	272	2180	0	0	1	S23635	M1	F1-1069D	A1-867D	8PI	107	136	77	79	0	1	3	1
2,5-DIMETHYLANISOLE	9	12	0	1	0	0	0	0	136	0.965	1.5149	190	999	219	6900	275	1880	280	1850	1	S-9641	A2	F1-1047D	A1-843C	""	0	0	0	0	0	1	3	0
2,4-DIMETHYLANISOLE	9	12	0	1	0	0	0	0	136	0.973	1.5149	190	999	218	6770	223	6710	278	1900	1	S-9640	A2	F1-1047C	A1-843B	""	0	0	0	0	0	1	3	0
2,3-DIMETHYLANISOLE	9	12	0	1	0	0	0	0	136	0.984	1.5200	195	29	270	1390	274	1380	279	1450	1	S20919	A2	F1-1045D	A1-841B	""	0	0	0	0	0	1	3	0
4-ISOPROPYLPHENOL	9	12	0	1	0	0	0	0	136	0.000	0.0000	213	61	222	7280	278	1813	287	2150	2	S-326	A2	F1-1076C	A1-873D	8PI	121	136	77	103	0	1	3	1
3-ISOPROPYLPHENOL	9	12	0	1	0	0	0	0	136	0.000	0.0000	228	999	0	0	0	0	0	0	0	""	A2	F1-1073D	""	8PI	121	136	77	91	0	1	3	1
2-ISOPROPYLPHENOL	9	12	0	1	0	0	0	0	136	1.012	1.5259	213	16	215	6270	273	2200	0	0	1	S20891	A2	F1-1070A	A1-868A	8PI	121	136	103	77	0	1	3	1
1-PHENYL-1-PROPANOL	9	12	0	1	0	0	0	0	136	0.994	1.5190	999	999	0	0	0	0	0	0	0	""	A2	F1-1123B	A1-923B	8PI	107	79	77	136	0	1	3	1
3-PHENYL-1-PROPANOL	9	12	0	1	0	0	0	0	136	1.008	1.5257	235	-18	259	200	261	206	268	166	1	S-470	A2	F1-1154A	A1-957A	8PI	91	117	118	92	0	1	3	1
1-PHENYL-2-PROPANOL	9	12	0	1	0	0	0	0	136	0.973	1.5217	221	999	0	0	0	0	0	0	0	""	A2	F1-1152D	A1-923C	8PI	92	91	45	103	0	1	3	1
2-PHENYL-1-PROPANOL	9	12	0	1	0	0	0	0	136	0.975	1.5262	111	999	0	0	0	0	0	0	0	""	A2	F1-1153A	A1-923D	8PI	105	106	136	91	0	1	3	1
2-PHENYL-2-PROPANOL	9	12	0	1	0	0	0	0	136	0.973	1.5196	202	34	210	6730	252	162	258	179	1	S-4556	A2	F1-1122D	A1-928A	8PI	43	121	51	77	0	1	3	1
3,5-DIMETHYLANISOLE	9	12	0	1	0	0	0	0	136	0.963	1.5127	193	999	220	7400	274	1500	281	1750	2	S-6157	A2	F1-1049B	A1-844D	""	0	0	0	0	0	1	3	0
3,4-DIMETHYLANISOLE	9	12	0	1	0	0	0	0	136	0.974	1.5176	200	999	218	6810	277	1750	283	1590	1	S-9642	A2	F1-1047A	A1-843A	""	0	0	0	0	0	1	3	0
2,6-DIMETHYLANISOLE	9	12	0	1	0	0	0	0	136	0.962	1.5038	182	999	264	323	268	320	273	273	1	S-6024	A2	F1-1045B	A1-841A	""	0	0	0	0	0	1	3	0
4-ISOPROPYLPHENOL	9	12	0	1	0	0	0	0	136	0.000	0.0000	212	60	0	0	0	0	0	0	0	""	A2	F1-1076C	A1-873D	8PI	121	136	103	177	0	1	3	1
2-ISOPROPYLPHENOL	9	12	0	1	0	0	0	0	136	1.012	1.5259	212	16	0	0	0	0	0	0	0	""	A2	F1-1070A	A1-868A	8PI	121	136	103	77	0	1	3	1
3-ISOPROPYLPHENOL	9	12	0	1	0	0	0	0	136	0.000	0.0000	228	999	0	0	0	0	0	0	0	""	A2	F1-1073D	""	8PI	121	136	77	91	0	1	3	1
BENZYL_ETHYL_ETHER	9	12	0	1	0	0	0	0	136	0.948	1.4958	189	999	0	0	0	0	0	0	0	""	B	S-43616	S-23129	8PI	91	92	79	107	0	1	3	0
PHENYL_PROPYL_ETHER	9	12	0	1	0	0	0	0	136	0.950	1.5013	189	-28	220	25840	271	5712	278	4900	1	S22032	B	S-12890	S-18859	8PI	94	136	77	95	0	1	3	0
LIMONENE	10	16	0	0	0	0	0	0	136	0.840	1.4715	176	999	0	0	0	0	0	0	0	""	A2	F1-43B	A1-53A	8PI	68	93	67	136	0	0	3	0
B-PINENE	10	16	0	0	0	0	0	0	136	0.859	1.4782	167	-61	0	0	0	0	0	0	0	""	A2	F1-50D	A1-54A	8PI	93	41	69	79	0	0	3	0
A-PINENE	10	16	0	0	0	0	0	0	136	0.857	1.4652	156	-62	0	0	0	0	0	0	0	""	A2	F1-50B	A1-54B	8PI	93	92	91	77	0	0	3	0
ADAMANTANE	10	16	0	0	0	0	0	0	136	0.000	0.0000	999	268	0	0	0	0	0	0	0	""	A2	F1-40A	A1-44B	8PI	136	93	79	39	0	0	1	0
P-CHLOROBENZONITRILE	7	4	1	0	1	0	0	0	137	0.000	0.0000	223	92	235	19000	269	598	280	411	1	S-826	A2	F2-449C	A2-423C	8PI	137	139	102	75	0	1	2	0
O-CHLOROBENZONITRILE	7	4	1	0	1	0	0	0	137	0.000	0.0000	999	45	229	10100	278	1460	287	1460	1	S15891	A2	F2-443D	S-8601	REG	137	139	102	75	0	1	2	0
M-CHLOROBENZONITRILE	7	4	1	0	1	0	0	0	137	0.000	0.0000	999	41	227	10200	278	1090	286	1040	1	S23009	A2	F2-446A	A2-420B	REG	137	139	102	75	0	1	2	0
P-AMINOBENZOIC_ACID	7	7	1	2	0	0	0	0	137	1.374	0.0000	999	189	211	8560	289	18200	0	0	1	S15745	A2	F2-198C	A2-195B	8PI	137	120	92	65	1	1	2	1
M-AMINOBENZOIC_ACID	7	7	1	2	0	0	0	0	137	0.000	0.0000	999	173	219	25800	316	1930	0	0	1	S-1802	A2	F2-192C	A2-189D	8PI	137	92	120	65	1	1	2	1
O-AMINOBENZOIC_ACID	7	7	1	2	0	0	0	0	137	0.000	0.0000	999	146	217	28400	247	6620	335	4390	1	S-729	A2	F2-189A	A2-186B	8PI	119	93	137	92	1	1	2	1
P-NITROTOLUENE	7	7	1	2	0	0	0	0	137	1.392	0.0000	238	54	215	9440	274	11700	0	0	1	S-1293	A2	F1-1338B	A1-1140A	8PI	91	137	65	77	0	1	3	0
O-NITROTOLUENE	7	7	1	2	0	0	0	0	137	1.163	1.5450	225	-4	253	7700	0	0	0	0	1	S-1292	A2	F1-1329A	A1-1131C	8PI	65	120	91	39	0	1	3	0
M-NITROTOLUENE	7	7	1	2	0	0	0	0	137	1.157	1.5459	231	16	264	7700	0	0	0	0	1	S-73	A2	F1-1334A	A1-1136A	8PI	91	137	65	39	0	1	3	0
3-ETHOXYANILINE	8	11	1	1	0	0	0	0	137	1.032	1.5655	248	999	235	6550	286	2200	0	0	1	S23147	A2	F1-1199D	A1-1005A	8PI	109	137	80	81	0	1	3	1
P-ETHOXYANILINE	8	11	1	1	0	0	0	0	137	1.065	1.5609	250	4	238	9000	304	2418	0	0	2	S-1286	A2	F1-1208D	A1-1014A	8PI	108	109	137	80	0	1	3	1
P-NITROANILINE	6	6	2	2	0	0	0	0	138	0.000	0.0000	999	150	229	6700	297	1900	373	15400	4	S-2243	A2	F1-1343C	S-9378	8PI	138	65	92	108	0	1	2	1
M-NITROANILINE	6	6	2	2	0	0	0	0	138	0.000	0.0000	999	114	233	12000	371	1090	0	0	1	S-80	A2	F1-1337A	A1-1139A	8PI	138	65	39	92	0	1	2	1
O-NITROANILINE	6	6	2	2	0	0	0	0	138	0.000	0.0000	284	73	232	10810	277	4830	0	0	1	S-385	A2	F2-917A	A1-1134D	8PI	138	65	39	52	0	1	2	1
3-HYDROXYBENZOIC_ACID	7	6	0	3	0	0	0	0	138	0.000	0.0000	999	203	234	6230	297	2350	0	0	1	S-967	A2	F2-192B	A2-189C	8PI	138	121	93	65	1	1	2	1
4-HYDROXYBENZOIC_ACID	7	6	0	3	0	0	0	0	138	0.000	0.0000	999	217	254	15100	0	0	0	0	1	S-3277	A2	F2-198AB	S-3160	8PI	121	138	93	65	1	1	2	1
SALICYLIC_ACID	7	6	0	3	0	0	0	0	138	0.000	0.0000	999	160	235	7590	302	4070	0	0	1	S-671	A2	F2-188C	A2-185A	8PI	120	92	138	64	1	1	2	1
P-CHLOROSTYRENE	8	7	0	0	1	0	0	0	138	1.155	1.5662	192	999	253	19600	287	1150	297	775	4	D10/48	A2	F1-1019B	A1-816D	8PI	138	103	140	51	0	1	2	0
M-CHLOROSTYRENE	8	7	0	0	1	0	0	0	138	1.090	1.5613	999	999	0	0	0	0	0	0	0	""	A2	F1-1018C	A1-816A	REG	103	138	77	140	0	1	2	0
O-CHLOROSTYRENE	8	7	0	0	1	0	0	0	138	1.080	1.5648	999	999	244	11100	281	984	290	900	2	S-3862	A2	F1-1017D	A1-815B	""	0	0	0	0	0	1	2	0
BENZYL_METHYL_SULFIDE	8	10	0	0	0	0	0	1	138	1.015	1.5620	197	999	0	0	0	0	0	0	1	S28606	A2	F1-1184A	A1-984D	8PI	91	138	45	65	0	1	3	0
P-DIMETHOXYBENZENE	8	10	0	2	0	0	0	0	138	1.053	0.0000	213	60	226	8870	289	3010	0	0	1	S17874	A2	F1-1042D	A1-838D	8PI	123	138	95	41	0	1	3	0
M-DIMETHOXYBENZENE	8	10	0	2	0	0	0	0	138	1.055	1.5240	999	999	273	2320	279	2090	0	0	1	S-2999	A2	F1-1040D	A1-837B	8PI	138	95	109	78	0	1	3	0
4-METHOXYBENZYL_ALCOHOL	8	10	0	2	0	0	0	0	138	1.108	1.5442	259	26	226	10400	274	1490	280	1270	1	S-1750	A2	F1-1135B	A1-939A	8PI	138	109	137	77	0	1	3	1
2-METHOXYBENZYL_ALCOHOL	8	10	0	2	0	0	0	0	138	1.039	1.5475	250	999	216	7220	273	1776	280	1604	1	S-6607	A2	F1-1128C	S-14958	REG	77	138	105	107	0	1	3	1
3-METHOXYBENZYL_ALCOHOL	8	10	0	2	0	0	0	0	138	1.112	1.5440	999	999	216	11100	273	984	290	900	1	S-6607	A2	F1-1131C	A1-936B	""	0	0	0	0	0	1	3	1
2-PHENOXYETHANOL	8	10	0	2	0	0	0	0	138	1.102	1.5370	237	13	220	7740	270	1690	277	1420	1	S-99	A2	F1-1157A	A1-956C	8PI	94	138	77	66	0	1	3	1
O-DIMETHOXYBENZENE	8	10	0	2	0	0	0	0	138	1.084	1.5337	207	15	225	11700	274	3920	0	0	1	S-476	A2	F1-1037C	A1-836B	8PI	138	95	123	77	0	1	3	0
1-PENTYLCYCLOPENTENE	10	18	0	0	0	0	0	0	138	0.812	1.4516	179	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	67	82	66	41	0	0	3	0
1-DECYNE	10	18	0	0	0	0	0	0	138	0.767	1.4272	174	-44	0	0	0	0	0	0	0	""	A1	F2-932D	A2-950A	8PI	41	27	81	55	0	0	3	0
2-DECYNE	10	18	0	0	0	0	0	0	138	0.776	1.4364	185	999	0	0	0	0	0	0	0	""	A1	S-54947	S-27087	8PI	95	68	81	67	0	0	1	0
3-DECYNE	10	18	0	0	0	0	0	0	138	0.766	1.4315	179	999	0	0	0	0	0	0	0	""	A1	S-54948	S-27088	8PI	67	109	68	95	0	0	1	0
CIS-CYCLODECENE	10	18	0	0	0	0	0	0	138	0.877	1.4855	196	999	0	0	0	0	0	0	0	""	A2	F1-41C	A1-	8PI	54	41	55	67	0	0	3	0
P-NITROPHENOL	6	5	1	3	0	0	0	0	139	0.000	0.0000	279	115	200	9300	227	6600	317	9500	5	S-1684	A2	F1-1341B	A1-1144A	8PI	65	139	109	39	0	1	2	1
M-NITROPHENOL	6	5	1	3	0	0	0	0	139	0.000	0.0000	999	98	229	7600	272	6000	333	1950	5	S-569	A2	F1-1336B	A1-1138D	8PI	65	139	93	39	0	1	2	1
O-NITROPHENOL	6	5	1	3	0	0	0	0	139	0.000	0.0000	217	45	209	11600	278	6400	351	3050	5	S15826	B	F1-1331C	A1-1134B	8PI	139	65	64	63	0	1	2	1
OCTYL_CYANIDE	9	17	1	0	0	0	0	0	139	0.818	1.4255	224	-34	0	0	0	0	0	0	0	""	M3	F1-839D	A1-697B	8PI	41	96	82	69	0	0	1	0
1,1-DICHLOROPENTANE	5	10	0	0	2	0	0	0	140	1.053	1.4340	140	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
1,5-DICHLOROPENTANE	5	10	0	0	2	0	0	0	140	1.101	1.4564	180	-73	0	0	0	0	0	0	0	""	M3	F1-75C	A1-76C	8PI	55	41	68	27	0	0	1	0
BENZOYL_CHLORIDE	7	5	0	1	1	0	0	0	140	1.211	1.5530	198	-1	241	15200	281	1383	0	0	2	S-2	A2	F2-340B	S-3147	8PI	105	77	51	50	1	1	2	0
M-CHLOROBENZALDEHYDE	7	5	0	1	1	0	0	0	140	1.241	1.5645	214	18	243	7160	289	854	0	0	1	S15920	A2	F2-107D	A2-106C	8PI	139	140	111	141	1	1	3	0
P-CHLOROBENZALDEHYDE	7	5	0	1	1	0	0	0	140	0.000	0.0000	214	46	213	12000	253	14400	277	1150	2	S27290	A2	F2-110C	A2-109A	8PI	139	140	111	141	1	1	3	0
O-CHLOROBENZALDEHYDE	7	5	0	1	1	0	0	0	140	1.248	1.5658	212	11	246	11200	294	1764	0	0	1	S-208	A2	F2-105A	A2-104B	8PI	138	139	111	140	1	1	3	0
M-CHLOROANISOLE	7	7	0	1	1	0	0	0	142	1.164	1.5362	193	999	220	6810	274	1980	282	1830	1	S19211	A2	F1-1041C	A1-837D	8PI	142	112	99	144	0	1	3	0
O-CHLOROANISOLE	7	7	0	1	1	0	0	0	142	1.123	1.5445	196	999	218	8100	275	2590	283	2735	2	S-2281	A2	F1-1039D	A1-835D	8PI	142	99	127	144	0	1	3	0
1-CHLORO-2-ETHYLBENZENE	8	9	0	0	1	0	0	0	140	1.057	1.5218	178	-83	212	9040	265	267	272	222	1	S-32	M1	S-26	S-1111	8PI	125	105	140	51	0	1	3	0
1-CHLORO-3-ETHYLBENZENE	8	9	0	0	1	0	0	0	140	1.053	1.5195	184	-55	0	0	0	0	0	0	0	""	M1	""	""	8PI	125	105	140	51	0	1	3	0
1-CHLORO-4-ETHYLBENZENE	8	9	0	0	1	0	0	0	140	1.046	1.5175	184	-63	0	0	0	0	0	0	0	""	M1	""	""	8PI	125	105	140	51	0	1	3	0
(2-CHLOROETHYL)BENZENE	8	9	0	0	1	0	0	0	140	1.069	1.5300	999	999	250	167	256	201	263	155	1	S22696	A2	F1-973D	A1-775D	8PI	91	140	51	92	0	1	3	0
2-METHYL_BENZYL_CHLORIDE	8	9	0	0	1	0	0	0	140	1.063	1.5408	199	999	0	0	0	0	0	0	0	""	A2	F1-980A	A1-782C	8PI	105	140	51	77	0	1	3	0
4-CHLORO-1,2-DIMETHYLBENZENE	8	9	0	0	1	0	0	0	140	1.047	1.5283	222	999	215	8150	269	270	278	226	1	S17654	A2	F1-1006A	A1-804D	8PI	105	140	51	77	0	1	3	0
4-METHYL_BENZYL_CHLORIDE	8	9	0	0	1	0	0	0	140	0.000	1.5330	200	4	224	9640	258	334	265	342	1	S-279	A2	F1-992B	A1-796D	8PI	105	140	51	77	0	1	3	0
3-METHYL_BENZYL_CHLORIDE	8	9	0	0	1	0	0	0	140	1.064	1.5350	196	999	268	398	0	0	0	0	1	S23836	A2	F1-985C	A1-788B	8PI	105	140	77	51	0	1	3	0
2-CHLORO-P-XYLENE	8	9	0	0	1	0	0	0	140	1.050	1.5236	184	999	215	5960	269	388	278	452	1	S-3625	B	S-15756	S-6402	8PI	105	140	51	77	0	1	3	0
BUTYLCYCLOHEXANE	10	20	0	0	0	0	0	0	140	0.799	1.4408	181	-75	0	0	0	0	0	0	0	""	A1	S-36845	S-21835	8PI	83	82	55	140	0	0	1	0
PENTYLCYCLOPENTANE	10	20	0	0	0	0	0	0	140	0.791	1.4358	181	-83	0	0	0	0	0	0	0	""	A1	S-22011	S-7897	8PI	69	41	68	55	0	0	1	0
CYCLODECANE	10	20	0	0	0	0	0	0	140	0.858	1.4716	202	10	0	0	0	0	0	0	0	""	A1	F1-34C	A1-37D	REG	55	70	83	140	0	0	1	0
1-DECENE	10	20	0	0	0	0	0	0	140	0.741	1.4215	171	-66	0	0	0	0	0	0	0	""	A1	F1-14C	A1-21B	8PI	41	56	55	43	0	0	3	0
2-METHYL-1-NONENE	10	20	0	0	0	0	0	0	140	0.745	1.4241	168	-64	0	0	0	0	0	0	0	""	A1	S-67032	S-40026	""	0	0	0	0	0	0	3	0
IODOMETHANE	1	3	0	0	0	0	1	0	142	2.279	1.5308	42	-66	0	0	0	0	0	0	0	""	M3	F1-55A	S-7872	8PI	142	127	141	139	0	0	1	0
1-BROMO-2-CHLOROETHANE	2	4	0	0	1	1	0	0	142	1.723	1.4884	107	-17	0	0	0	0	0	0	0	""	A2	F1-72B	V-5	8PI	63	27	65	144	0	0	1	0
P-CHLOROANISOLE	7	7	0	1	1	0	0	0	142	1.164	1.5358	200	-18	227	11200	280	1660	288	1360	1	S-741	A2	F1-1043C	A1-839B	8PI	142	99	127	144	0	1	3	0
2-CHLOROBENZYL_ALCOHOL	7	7	0	1	1	0	0	0	142	0.000	0.0000	227	70	212	8030	263	249	270	182	1	S16306	A2	F1-1127C	A1-932B	8PI	77	107	79	142	0	1	3	1
4-CHLOROBENZYL_ALCOHOL	7	7	0	1	1	0	0	0	142	0.000	0.0000	234	71	219	8230	262	298	275	235	1	S26071	A2	F1-1134D	A1-938C	REG	77	79	107	142	0	1	3	1
3-CHLOROBENZYL_ALCOHOL	7	7	0	1	1	0	0	0	142	1.211	1.5551	237	999	257	722	265	733	272	635	1	S22997	A2	F1-1130C	A1-934D	""	0	0	0	0	0	1	3	1
2-CHLORO-5-METHYLPHENOL	7	7	0	1	1	0	0	0	142	1.215	0.0000	196	47	227	8280	281	1940	0	0	1	S-1303	A2	F1-1089A	A1-884D	8PI	107	142	77	144	0	1	3	1
4-CHLORO-2-METHYLPHENOL	7	7	0	1	1	0	0	0	142	0.000	0.0000	224	47	229	7420	283	2140	0	0	1	S21985	A2	F1-1088C	A1-883D	8PI	142	107	77	141	0	1	3	1
4-CHLORO-3-METHYLPHENOL	7	7	0	1	1	0	0	0	142	0.000	0.0000	235	67	228	8280	282	1940	0	0	1	S-1303	A2	F1-1086D	A1-881A	8PI	107	142	77	51	0	1	3	1
CYCLOHEXYL_ACETATE	8	14	0	2	0	0	0	0	142	0.966	1.4395	172	999	0	0	0	0	0	0	0	""	A2	F1-628B	A1-531A	8PI	43	82	67	54	1	0	1	0
NONANAL	9	18	0	1	0	0	0	0	142	0.823	1.4229	194	-18	0	0	0	0	0	0	0	""	A1	F1-468D	A1-360B	8PI	57	41	44	56	1	0	1	0
2-NONANONE	9	18	0	1	0	0	0	0	142	0.821	1.4207	194	-8	0	0	0	0	0	0	0	""	A1	F1-410D	A1-374C	8PI	43	58	71	41	1	0	1	0
5-NONANONE	9	18	0	1	0	0	0	0	142	0.826	1.4190	187	-50	0	0	0	0	0	0	0	""	A2	F1-411B	A1-374D	8PI	57	85	58	41	1	0	1	0
3-NONANONE	9	18	0	1	0	0	0	0	142	0.821	1.4204	188	999	0	0	0	0	0	0	0	""	A2	F1-411A	S-40057	8PI	43	29	57	72	1	0	1	0
2,6-DIMETHYL-4-HEPTANONE	9	18	0	1	0	0	0	0	142	0.847	1.4128	169	999	287	23	0	0	0	0	2	S-39	A2	F1-409D	A1-373B	8PI	57	85	41	43	1	0	1	0
3,5-DIMETHYL-4-HEPTANONE	9	18	0	1	0	0	0	0	142	0.826	1.4164	162	999	0	0	0	0	0	0	0	""	A2	F1-410A	A1-373C	""	0	0	0	0	1	0	1	0
DECANE	10	22	0	0	0	0	0	0	142	0.730	1.4119	174	-30	0	0	0	0	0	0	0	""	A1	F1-2C	A1-10C	8PI	43	57	41	71	0	0	1	0
2-METHYLNONANE	10	22	0	0	0	0	0	0	142	0.726	1.4100	167	-75	0	0	0	0	0	0	0	""	A1	S-67435	S-40342	8PI	43	57	41	29	0	0	1	0
3-METHYLNONANE	10	22	0	0	0	0	0	0	142	0.733	1.4125	168	-85	0	0	0	0	0	0	0	""	A1	S-16777	S-8009	8PI	57	43	71	41	0	0	1	0
4-METHYLNONANE	10	22	0	0	0	0	0	0	142	0.732	1.4118	166	-99	0	0	0	0	0	0	0	""	A1	S-15986	S-35782	8PI	41	57	41	29	0	0	1	0
5-METHYLNONANE	10	22	0	0	0	0	0	0	142	0.733	1.4122	165	-88	0	0	0	0	0	0	0	""	A1	S-7871	S-35763	8PI	43	85	57	84	0	0	1	0
3-ETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.740	1.4156	167	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	57	71	41	0	0	1	0
4-ETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.738	1.4151	164	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	71	0	0	1	0
2,2-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.725	1.4082	157	999	0	0	0	0	0	0	0	""	A1	S-56240	S-29024	""	0	0	0	0	0	0	1	0
2,3-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.738	1.4149	164	999	0	0	0	0	0	0	0	""	A1	S-56241	S-29025	8PI	57	43	41	98	0	0	1	0
2,4-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.726	1.4091	156	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
4,4-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.735	1.4144	158	999	0	0	0	0	0	0	0	""	A1	S-56245	S-29029	""	0	0	0	0	0	0	1	0
4,5-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.747	1.4190	162	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	70	57	71	0	0	1	0
2,6-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.728	1.4106	159	999	0	0	0	0	0	0	0	""	A1	S-64974	S-37630	8PI	57	43	41	71	0	0	1	0
4-ISOPROPYLHEPTANE	10	22	0	0	0	0	0	0	142	0.739	1.4155	159	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	98	0	0	1	0
3,3-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.739	1.4165	161	999	0	0	0	0	0	0	0	""	A1	S-56242	S-29026	8PI	43	71	57	41	0	0	1	0
2-METHYL-3-ETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.744	1.4174	161	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	98	0	0	1	0
3,5-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.737	1.4139	159	999	0	0	0	0	0	0	0	""	A1	S-56243	S-29027	8PI	57	43	41	71	0	0	1	0
2,5-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.730	1.4112	159	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	70	0	0	1	0
2,7-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.724	1.4086	160	-54	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	57	41	71	0	0	1	0
3,4-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.745	1.4182	163	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	57	56	41	0	0	1	0
3,6-DIMETHYLOCTANE	10	22	0	0	0	0	0	0	142	0.736	1.4139	161	999	0	0	0	0	0	0	0	""	A1	S-56244	S-29028	8PI	57	71	43	41	0	0	1	0
2-METHYL-4-ETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.736	1.4137	156	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2-METHYL-5-ETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.736	1.4134	160	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	57	71	41	0	0	1	0
3-METHYL-3-ETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.750	1.4208	164	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-METHYL-4-ETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.750	1.4206	162	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-METHYL-5-ETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.741	1.4164	158	999	0	0	0	0	0	0	0	""	A1	""	""	REG	57	71	43	41	0	0	1	0
4-METHYL-3-ETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.751	1.4207	163	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3,4,4-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.757	1.4235	161	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3,4,5-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.756	1.4229	163	999	0	0	0	0	0	0	0	""	A1	""	""	REG	43	85	84	57	0	0	1	0
2,2,3-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.742	1.4168	158	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2-METHYL-3-ISOPROPYLHEXANE	10	22	0	0	0	0	0	0	142	0.747	1.4195	167	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2,5-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.728	1.4101	151	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3,3-DIETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.761	1.4258	166	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3,3-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.749	1.4202	160	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3,4-DIETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.751	1.4190	164	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3,5-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.745	1.4169	161	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	71	0	0	1	0
2,2-DIMETHYL-3-ETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.749	1.4197	156	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,4,4-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.735	1.4143	151	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2-DIMETHYL-4-ETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.734	1.4131	147	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	85	0	0	1	0
2,4,6-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.723	1.4071	148	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
4-PROPYLHEPTANE	10	22	0	0	0	0	0	0	142	0.736	1.4135	158	999	0	0	0	0	0	0	0	""	A1	""	""	REG	57	43	41	98	0	0	1	0
3,3,4-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.757	1.4236	162	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	71	70	57	0	0	1	0
2,3-DIMETHYL-3-ETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.764	1.4270	164	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
4-METHYL-4-ETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.751	1.4210	161	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3-DIMETHYL-4-ETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.755	1.4226	161	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2,6-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.724	1.4078	149	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,4-DIMETHYL-3-ETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.755	1.4225	160	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3,6-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.735	1.4131	156	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	56	0	0	1	0
2,4-DIMETHYL-4-ETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.756	1.4235	161	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,5,5-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.740	1.4149	153	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	71	57	41	0	0	1	0
2,2,4-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.728	1.4092	148	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	56	43	41	0	0	1	0
2,3,4-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.749	1.4195	160	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	70	0	0	1	0
2,4,5-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.741	1.4160	157	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3,3,5-TRIMETHYLHEPTANE	10	22	0	0	0	0	0	0	142	0.743	1.4170	156	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	70	0	0	1	0
2,5-DIMETHYL-3-ETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.741	1.4157	154	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3,3-DIMETHYL-4-ETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.764	1.4269	163	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3,4-DIMETHYL-3-ETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.763	1.4267	162	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2,3,3-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.764	1.4282	160	-54	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	41	85	0	0	1	0
2,2,3,4-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.755	1.4216	159	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2,3-TRIMETHYL-3-ETHYLPENTANE	10	22	0	0	0	0	0	0	142	0.782	1.4420	170	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2,4-TRIMETHYL-3-ETHYLPENTANE	10	22	0	0	0	0	0	0	142	0.757	1.4223	155	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2,4,4-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.746	1.4208	154	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3,4-TRIMETHYL-3-ETHYLPENTANE	10	22	0	0	0	0	0	0	142	0.757	1.4333	169	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2,5,5-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.719	1.4055	137	-13	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	56	41	71	0	0	1	0
2,2,3,3,4-PENTAMETHYLPENTANE	10	22	0	0	0	0	0	0	142	0.780	1.4301	166	-36	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3,3,5-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.749	1.4196	153	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2,3,4,4-PENTAMETHYLPENTANE	10	22	0	0	0	0	0	0	142	0.767	1.4307	159	-39	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3,4,5-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.749	1.4202	156	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2,3,5-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.738	1.4142	148	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,2,4,5-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.735	1.4132	148	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3,3,4-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.769	1.4298	165	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3,4,4-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.762	1.4267	162	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3,3,4,4-TETRAMETHYLHEXANE	10	22	0	0	0	0	0	0	142	0.782	1.4368	170	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	71	41	29	0	0	1	0
2-METHYL-3,3-DIETHYLPENTANE	10	22	0	0	0	0	0	0	142	0.779	1.4343	170	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,4-DIMETHYL-3-ISOPROPYLPENTANE	10	22	0	0	0	0	0	0	142	0.758	1.4246	157	-82	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
METHYL_OCTYLAMINE	9	21	1	0	0	0	0	0	143	0.776	1.4290	186	-11	0	0	0	0	0	0	0	""	M3	S-31358	S-21871	REG	44	41	43	42	0	0	1	1
1-AMINONONANE	9	21	1	0	0	0	0	0	143	0.789	1.4336	202	-1	0	0	0	0	0	0	0	""	M3	F1-282B	A1-240C	8PI	30	45	41	29	0	0	1	1
TRIPROPYLAMINE	9	21	1	0	0	0	0	0	143	0.757	1.4171	157	-94	0	0	0	0	0	0	0	""	M3	F1-300B	A1-258C	8PI	114	43	30	72	0	0	1	0
1-AMINONAPHTHALENE	10	9	1	0	0	0	0	0	143	1.114	0.0000	301	49	211	44500	242	21500	320	5200	4	E1/28	A2	A-748A	A1-1058B	8PI	143	115	116	144	0	1	2	1
DIMETHYL_FUMARATE	6	8	0	4	0	0	0	0	144	0.000	0.0000	193	104	0	0	0	0	0	0	0	""	A2	F1-644D	A1-543D	8PI	113	85	59	114	1	0	1	0
DIMETHYL_MALEATE	6	8	0	4	0	0	0	0	144	1.152	1.4409	205	999	0	0	0	0	0	0	0	""	A2	F1-644B	A1-543C	8PI	113	59	85	114	1	0	1	0
OCTANOIC_ACID	8	16	0	2	0	0	0	0	144	0.911	1.4280	240	17	0	0	0	0	0	0	0	""	A1	F1-483A	A1-420D	8PI	60	73	43	55	1	0	1	1
ETHYL_HEXANOATE	8	16	0	2	0	0	0	0	144	0.873	1.4075	168	999	0	0	0	0	0	0	0	""	A2	F1-606D	A1-512D	8PI	88	29	43	99	1	0	1	0
HEXYL_ACETATE	8	16	0	2	0	0	0	0	144	0.876	1.4090	170	-80	0	0	0	0	0	0	0	""	A2	F1-603A	A1-510A	8PI	43	56	55	84	1	0	1	0
METHYL_HEPTANOATE	8	16	0	2	0	0	0	0	144	0.870	1.4108	174	999	0	0	0	0	0	0	0	""	A2	F1-607A	A1-513A	8PI	74	43	87	41	1	0	1	0
ISOBUTYL_ISOBUTYRATE	8	16	0	2	0	0	0	0	144	0.855	1.3990	148	-80	0	0	0	0	0	0	0	""	B	S-28678	S-238	8PI	71	43	56	57	1	0	1	0
ISOAMYL_PROPIONATE	8	16	0	2	0	0	0	0	144	0.870	1.4069	161	999	0	0	0	0	0	0	0	""	B	S-28553	S-149	8PI	57	70	55	29	1	0	1	0
1-NONANOL	9	20	0	1	0	0	0	0	144	0.828	1.4340	214	-5	0	0	0	0	0	0	0	""	A1	F1-111B	A1-103A	8PI	56	55	70	43	0	0	1	1
2-NONANOL	9	20	0	1	0	0	0	0	144	0.823	1.4304	198	-35	0	0	0	0	0	0	0	""	A1	F1-121B	A1-113A	8PI	45	43	41	27	0	0	1	1
4-METHYL-4-OCTANOL	9	20	0	1	0	0	0	0	144	0.826	1.4320	181	999	0	0	0	0	0	0	0	""	R1	S-7870	S-3792	8PI	45	87	101	43	0	0	1	1
3-METHYL-3-OCTANOL	9	20	0	1	0	0	0	0	144	0.832	1.4324	189	999	0	0	0	0	0	0	0	""	R1	S-44849	""	8PI	73	55	43	115	0	0	1	1
3-NONANOL	9	20	0	1	0	0	0	0	144	0.825	1.4308	195	22	0	0	0	0	0	0	0	""	R1	S-67098	S-40084	8PI	59	55	29	43	0	0	1	1
4-NONANOL	9	20	0	1	0	0	0	0	144	0.826	1.4295	193	999	0	0	0	0	0	0	0	""	R1	S-51447	S-23397	8PI	55	43	73	27	0	0	1	1
2,2,4,4-TETRAMETHYL-3-PENTANOL	9	20	0	1	0	0	0	0	144	0.000	0.0000	167	50	0	0	0	0	0	0	0	""	R1	""	""	""	0	0	0	0	0	0	1	1
2,2,3-TRIMETHYL-3-HEXANOL	9	20	0	1	0	0	0	0	144	0.846	1.4388	173	999	0	0	0	0	0	0	0	""	R1	S-44847	""	""	0	0	0	0	0	0	1	1
2-METHYL-2-OCTANOL	9	20	0	1	0	0	0	0	144	0.820	1.4280	178	999	0	0	0	0	0	0	0	""	R1	S-36549	S-23064	""	0	0	0	0	0	0	1	1
5-NONANOL	9	20	0	1	0	0	0	0	144	0.822	1.4295	195	5	0	0	0	0	0	0	0	""	R1	S-44848	S-23090	8PI	69	87	41	29	0	0	1	1
1-NAPHTHOL	10	8	0	1	0	0	0	0	144	0.000	0.0000	279	96	210	42000	233	33000	295	5000	1	E1/6	A2	F1-1109A	A1-908D	8PI	144	115	116	63	0	1	2	1
2-NAPHTHOL	10	8	0	1	0	0	0	0	144	0.000	0.0000	286	123	226	76000	274	4500	330	2000	1	E1/8	A2	F1-1109B	S-3230	8PI	144	115	116	63	0	1	2	1
4-ACETYLBENZONITRILE	9	7	1	1	0	0	0	0	145	0.000	0.0000	999	58	247	20100	287	1490	0	0	1	S-8884	A2	F2-451C	A2-426B	8PI	130	102	43	145	1	1	3	0
1,1,3-TRICHLOROPROPANE	3	5	0	0	3	0	0	0	146	1.356	1.4718	146	-59	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
1,2,3-TRICHLOROPROPANE	3	5	0	0	3	0	0	0	146	1.389	1.4832	157	-15	0	0	0	0	0	0	0	""	M3	F1-85B	A1-83B	8PI	75	39	61	110	0	0	1	0
O-DICHLOROBENZENE	6	4	0	0	2	0	0	0	146	1.306	1.5515	180	-17	219	9164	269	326	276	300	3	S-303	M1	F1-976B	S-746	8PI	146	148	111	75	0	1	2	0
M-DICHLOROBENZENE	6	4	0	0	2	0	0	0	146	1.288	1.5459	173	-25	216	12800	270	3340	278	2800	1	S-1671	M1	F1-982D	A1-785D	8PI	146	148	111	75	0	1	2	0
P-DICHLOROBENZENE	6	4	0	0	2	0	0	0	146	1.248	0.0000	174	53	223	12800	264	287	280	301	1	S-55	M1	F1-988B	S-715	8PI	146	148	111	75	0	1	2	0
ADIPIC_ACID	6	10	0	4	0	0	0	0	146	0.000	0.0000	999	153	0	0	0	0	0	0	0	""	A2	F1-495B	S-4406	8PI	100	60	43	55	1	0	1	1
DIETHYL_OXALATE	6	10	0	4	0	0	0	0	146	1.076	1.4096	185	-41	0	0	0	0	0	0	0	""	A2	F1-613C	A1-518B	8PI	29	27	31	45	1	0	1	0
ETHYLENE_GLYCOL_DIACETATE	6	10	0	4	0	0	0	0	146	1.128	1.4155	187	-41	0	0	0	0	0	0	0	""	A2	F1-600C	S-17122	8PI	43	86	73	116	1	0	1	0
DIMETHYL_SUCCINATE	6	10	0	4	0	0	0	0	146	1.117	1.4190	200	19	0	0	0	0	0	0	0	""	A2	F1-617A	A1-521B	8PI	115	55	59	114	1	0	1	0
1-OCTANETHIOL	8	18	0	0	0	0	0	1	146	0.843	1.4540	199	-49	0	0	0	0	0	0	0	""	A1	F1-256C	S-4388	8PI	56	70	43	55	0	0	1	0
DIBUTYL_SULFIDE	8	18	0	0	0	0	0	1	146	0.838	1.4530	189	999	0	0	0	0	0	0	0	""	A2	F1-266C	A1-219A	8PI	61	56	29	41	0	0	1	0
DI-SEC-BUTYL_SULFIDE	8	18	0	0	0	0	0	1	146	0.839	1.4500	165	999	0	0	0	0	0	0	0	""	A2	F1-268B	A1-225B	8PI	61	57	29	117	0	0	1	0
DI-T-BUTYL_SULFIDE	8	18	0	0	0	0	0	1	146	0.815	1.4506	150	999	0	0	0	0	0	0	0	""	A2	F1-268D	A1-224B	8PI	57	41	146	75	0	0	1	0
TRANS-4-PHENYL-3-BUTEN-2-ONE	10	10	0	1	0	0	0	0	146	0.000	0.0000	262	41	220	12100	225	11500	285	23900	1	S17810	A2	F2-7C	A2-53D	8PI	131	103	146	145	1	1	3	0
2-PHENYL-3-BUTYN-2-OL	10	10	0	1	0	0	0	0	146	0.000	0.0000	999	48	0	0	0	0	0	0	0	""	A2	F2-947B	S-3737	""	0	0	0	0	0	1	3	0
4-CYANOBENZOIC_ACID	8	5	1	2	0	0	0	0	147	0.000	0.0000	999	221	237	18000	246	14500	282	1470	1	S-6376	A2	F2-452A	A2-426C	8PI	130	147	102	75	1	1	2	1
3-CYANOBENZOIC_ACID	8	5	1	2	0	0	0	0	147	0.000	0.0000	999	223	225	16700	279	600	287	552	1	S19208	A2	F2-448B	A2-422B	8PI	130	147	102	75	1	1	2	1
CYCLOPENTYL_BROMIDE	5	9	0	0	0	1	0	0	148	1.390	1.4881	138	999	0	0	0	0	0	0	0	""	A2	F1-103C	A1-94C	8PI	69	41	67	70	0	0	1	0
P-NITROBENZONITRILE	7	4	2	2	0	0	0	0	148	0.000	0.0000	999	149	257	12600	0	0	0	0	1	S-8608	A2	F2-451B	A2-426A	8PI	102	148	75	30	0	1	2	0
O-NITROBENZONITRILE	7	4	2	2	0	0	0	0	148	0.000	0.0000	999	109	215	21900	259	5700	0	0	1	S-5573	A2	F2-445A	A2-419A	8PI	102	148	75	90	0	1	2	0
M-NITROBENZONITRILE	7	4	2	2	0	0	0	0	148	0.000	0.0000	999	117	216	26640	253	7300	0	0	1	S-5502	A2	F2-447D	A2-421D	8PI	102	48	75	51	0	1	2	0
TRIETHYL_ORTHOFORMATE	7	16	0	3	0	0	0	0	148	0.891	1.3909	146	-76	0	0	0	0	0	0	0	""	A2	F1-217A	A1-185B	8PI	47	103	75	29	0	0	1	0
1-CHLOROOCTANE	8	17	0	0	1	0	0	0	148	0.874	1.4305	182	-58	0	0	0	0	0	0	0	""	M3	F1-59D	A1-63B	8PI	91	41	43	27	0	0	1	0
TRANS-CINNAMIC_ACID	9	8	0	2	0	0	0	0	148	1.248	0.0000	300	133	222	14500	282	19930	0	0	4	L-14	A2	F2-174B	S-10168	8PI	147	148	103	77	1	1	2	1
TRANS-ANETHOLE	10	12	0	1	0	0	0	0	148	0.988	1.5600	236	23	258	20350	0	0	0	0	4	L-14	A2	F1-1052D	A1-850A	8PI	148	147	117	133	0	1	3	0
BENZYLACETONE	10	12	0	1	0	0	0	0	148	0.989	1.5122	235	999	253	193	259	230	268	268	1	S-3527	A2	F2-1A	A2-3A	8PI	148	105	43	91	1	1	3	0
BUTYROPHENONE	10	12	0	1	0	0	0	0	148	0.794	1.5195	221	12	241	11500	279	946	0	0	1	S-1613	A2	F2-8DG	A2-8B	8PI	105	77	148	51	1	1	3	0
ISOBUTYROPHENONE	10	12	0	1	0	0	0	0	148	0.988	1.5172	217	999	241	13800	278	1110	313	93	1	S-1614	A2	F2-9AH	A2-9D	8PI	105	77	51	148	1	1	3	0
P-ISOPROPYLBENZALDEHYDE	10	12	0	1	0	0	0	0	148	0.977	1.5298	236	999	255	13520	0	0	0	0	1	S-1680	A2	F2-109D	S-6825	8PI	133	105	148	91	1	1	3	0
1-PHENYL-2-BUTANONE	10	12	0	1	0	0	0	0	148	0.998	1.5122	999	999	238	800	260	280	287	200	2	S-4153	A2	F2-1BC	A2-2D	""	0	0	0	0	1	1	3	0
1-ETHYL-2-PROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.874	1.4992	203	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-ETHYL-3-PROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.861	1.4930	201	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-ETHYL-4-PROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.859	1.4921	205	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,2-DIMETHYL-3-PROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.886	1.5075	211	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-4-ISOBUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.852	1.4874	196	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	105	148	106	77	0	1	3	0
1-PHENYL-3-METHYLBUTANE	11	16	0	0	0	0	0	0	148	0.856	1.4840	199	999	0	0	0	0	0	0	0	""	A1	""	J100-162	8PI	92	91	148	41	0	1	3	0
PENTYLBENZENE	11	16	0	0	0	0	0	0	148	0.859	1.4878	205	-75	254	190	261	235	268	191	1	S-9709	A1	F1-933B	A1-734B	8PI	91	92	148	65	0	1	3	0
2-PHENYLPENTANE	11	16	0	0	0	0	0	0	148	0.859	1.4876	193	999	0	0	0	0	0	0	0	""	A1	S-8591	S-3441	8PI	105	91	148	119	0	1	3	0
3-PHENYLPENTANE	11	16	0	0	0	0	0	0	148	0.860	1.4877	191	999	0	0	0	0	0	0	0	""	A1	""	J100-164	8PI	91	119	148	41	0	1	3	0
1-METHYL-3-SEC-BUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.858	1.4900	194	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-PHENYL-2-METHYLBUTANE	11	16	0	0	0	0	0	0	148	0.859	1.4860	197	999	0	0	0	0	0	0	0	""	A1	""	J100-159	8PI	92	91	57	148	0	1	3	0
1-METHYL-4-BUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.857	1.4900	207	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-2-BUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.871	1.4960	208	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-4-SEC-BUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.866	1.4930	197	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-2-SEC-BUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.873	1.4970	196	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-3-BUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.859	1.4910	205	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-3-ISOBUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.854	1.4888	194	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-2-ISOBUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.865	1.4935	196	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-PHENYL-2,2-DIMETHYLPROPANE	11	16	0	0	0	0	0	0	148	0.858	1.4880	186	999	0	0	0	0	0	0	0	""	A1	""	J100-161	8PI	57	92	91	41	0	1	3	0
2-PHENYL-2-METHYLBUTANE	11	16	0	0	0	0	0	0	148	0.875	1.4958	192	999	0	0	0	0	0	0	0	""	A1	""	J100-160	8PI	119	91	41	77	0	1	3	0
2-PHENYL-3-METHYLBUTANE	11	16	0	0	0	0	0	0	148	0.870	1.4860	188	999	0	0	0	0	0	0	0	""	A1	""	J100-163	8PI	105	148	106	91	0	1	3	0
1-METHYL-3-TERT-BUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.866	1.4994	189	-41	0	0	0	0	0	0	0	""	A1	""	""	8PI	133	105	148	41	0	1	3	0
1-METHYL-4-TERT-BUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.861	1.4918	193	-53	259	281	264	392	273	400	1	S-2215	A1	F1-940A	S-11536	8PI	133	105	148	41	0	1	3	0
1-ETHYL-2-ISOPROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.888	1.5080	193	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-ETHYL-3-ISOPROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.859	1.4920	192	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	133	148	105	119	0	1	3	0
1,2-DIMETHYL-3-ISOPROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.888	1.5080	203	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,2-DIMETHYL-4-ISOPROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.870	1.4993	202	999	212	9100	265	499	274	457	1	S-9448	A1	S-1885	S-420	""	0	0	0	0	0	1	3	0
1,3-DIMETHYL-2-ISOPROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.890	1.5090	199	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,3-DIMETHYL-4-ISOPROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.873	1.5000	199	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	133	148	134	105	0	1	3	0
1-ETHYL-4-ISOPROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.859	1.4923	197	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	133	105	148	119	0	1	3	0
1,4-DIMETHYL-2-ISOPROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.874	1.5010	196	999	0	0	0	0	0	0	0	""	A1	S-2262	""	8PI	133	148	134	105	0	1	3	0
1,3-DIMETHYL-5-ISOPROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.862	1.4950	195	999	0	0	0	0	0	0	0	""	A1	S-2258	S-23312	8PI	133	148	146	131	0	1	3	0
1-METHYL-2,4-DIETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.875	1.5027	205	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-2,5-DIETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.876	1.5034	207	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-2,6-DIETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.891	1.5106	209	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-3,4-DIETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.876	1.5039	204	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-3,5-DIETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.863	1.4969	201	-74	0	0	0	0	0	0	0	""	A1	""	""	8PI	133	119	148	91	0	1	3	0
1,2,3-TRIMETHYL-4-ETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.902	1.5180	220	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,2,3-TRIMETHYL-5-ETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.886	1.5101	216	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,2,4-TRIMETHYL-3-ETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.895	1.5133	217	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,2,4-TRIMETHYL-5-ETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.883	1.5075	213	-14	0	0	0	0	0	0	0	""	A1	""	""	8PI	133	148	119	134	0	1	3	0
1-METHYL-2,3-DIETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.891	1.5105	207	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,3,5-TRIMETHYL-2-ETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.883	1.5074	212	-16	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
PENTAMETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.917	1.5270	232	54	270	314	276	273	279	252	1	S21952	A1	F1-944C	A1-747D	8PI	133	148	147	134	0	1	3	0
1,2,4-TRIMETHYL-6-ETHYLBENZENE	11	16	0	0	0	0	0	0	148	0.890	1.5118	213	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-METHYL-2-TERT-BUTYLBENZENE	11	16	0	0	0	0	0	0	148	0.890	1.5076	200	-50	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,2-DIMETHYL-4-PROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.872	1.5000	209	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,3-DIMETHYL-2-PROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.886	1.5063	208	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,3-DIMETHYL-4-PROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.872	1.4998	207	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,4-DIMETHYL-2-PROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.872	1.4999	204	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1,3-DIMETHYL-5-PROPYLBENZENE	11	16	0	0	0	0	0	0	148	0.861	1.4952	202	-59	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
P-DIMETHYLAMINOBENZALDEHYDE	9	11	1	1	0	0	0	0	149	0.000	0.0000	999	75	234	9200	319	33000	325	35000	2	S-1838	A2	F2-112B	A2-111A	8PI	148	149	77	132	1	1	3	0
P-BUTYLANILINE	10	15	1	0	0	0	0	0	149	0.932	1.5341	242	-14	236	9970	290	1480	0	0	1	S23062	M1	F1-1203C	A1-1006C	8PI	106	107	149	77	0	1	3	1
N,N-DIETHYLANILINE	10	15	1	0	0	0	0	0	149	0.938	1.5409	217	-38	260	13900	304	1950	0	0	1	S-83	A2	F1-1191D	S-716	8PI	134	106	149	77	0	1	3	0
2-BROMOPENTANE	5	11	0	0	0	1	0	0	150	1.208	1.4413	117	-96	0	0	0	0	0	0	0	""	M3	F1-68A	A1-71B	8PI	71	43	41	55	0	0	1	0
1-BROMO-2,2-DIMETHYLPROPANE	5	11	0	0	0	1	0	0	150	1.200	1.4370	106	999	0	0	0	0	0	0	0	""	M3	S-28248	S-8218	8PI	57	55	41	56	0	0	1	0
2-BROMO-2-METHYLBUTANE	5	11	0	0	0	1	0	0	150	1.216	1.4420	108	999	0	0	0	0	0	0	0	""	M3	S-47647	S-23148	8PI	71	43	41	55	0	0	1	0
3-BROMOPENTANE	5	11	0	0	0	1	0	0	150	1.212	1.4441	119	-126	0	0	0	0	0	0	0	""	M3	S-48233	""	8PI	43	71	41	55	0	0	1	0
1-BROMO-2-METHYLBUTANE	5	11	0	0	0	1	0	0	150	1.221	1.4452	121	999	0	0	0	0	0	0	0	""	M3	""	A1-70B	8PI	71	43	41	55	0	0	1	0
1-BROMO-3-METHYLBUTANE	5	11	0	0	0	1	0	0	150	1.207	1.4420	120	-112	0	0	0	0	0	0	0	""	M3	F1-69C	A1-71A	8PI	43	71	70	55	0	0	1	0
1-BROMOPENTANE	5	11	0	0	0	1	0	0	150	1.218	1.4443	130	-88	0	0	0	0	0	0	0	""	M3	F1-57D	A1-61B	8PI	71	43	41	42	0	0	1	0
2-BROMO-3-METHYLBUTANE	5	11	0	0	0	1	0	0	150	1.221	1.4454	115	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
BENZYL_ACETATE	9	10	0	2	0	0	0	0	150	1.040	1.5006	206	-51	252	174	257	214	263	174	1	S-260	A2	F2-277A	A2-269A	8PI	108	91	43	90	1	1	3	0
3-PHENYLPROPANOIC_ACID	9	10	0	2	0	0	0	0	150	1.071	0.0000	280	49	252	228	257	292	267	260	1	S-2270	A2	F2-139C	A2-135B	8PI	91	104	150	77	1	1	3	1
P-METHOXYACETOPHENONE	9	10	0	2	0	0	0	0	150	0.000	0.0000	999	38	217	11600	270	16100	0	0	1	S-1177	A2	F2-32D	A2-34D	8PI	135	150	77	92	1	1	3	0
M-METHOXYACETOPHENONE	9	10	0	2	0	0	0	0	150	1.094	1.5410	241	999	217	20500	246	8680	305	2270	1	S-6818	A2	F2-32C	A2-35C	REG	135	150	77	107	1	1	3	0
METHYL_PHENYLACETATE	9	10	0	2	0	0	0	0	150	1.044	1.5075	218	999	247	234	252	268	258	289	1	S-64	A2	F2-278C	A2-270B	8PI	91	150	65	39	1	1	3	0
METHYL_4-METHYLBENZOATE	9	10	0	2	0	0	0	0	150	0.000	0.0000	104	37	238	14200	281	557	0	0	1	S21971	A2	F2-294C	""	8PI	119	91	150	117	1	1	3	0
METHYL_2-METHYLBENZOATE	9	10	0	2	0	0	0	0	150	1.073	1.5184	208	999	230	8160	279	1190	0	0	1	S23078	A2	F2-293B	""	8PI	119	91	118	150	1	1	3	0
METHYL_3-METHYLBENZOATE	9	10	0	2	0	0	0	0	150	1.063	1.5156	113	999	232	12200	280	1390	287	1220	1	S22020	A2	F2-293D	S-2788	8PI	119	91	150	65	1	1	3	0
ETHYL_BENZOATE	9	10	0	2	0	0	0	0	150	1.051	1.5049	212	-34	228	12600	273	886	280	746	1	S-426	A2	F2-291C	A2-281B	8PI	105	77	122	150	1	1	3	0
2-METHOXYACETOPHENONE	9	10	0	2	0	0	0	0	150	1.090	1.5393	999	999	211	21000	247	7900	307	3550	4	S-6916	A2	F2-32A	A2-35B	8PI	135	77	150	43	1	1	3	0
4-ETHOXYBENZALDEHYDE	9	10	0	2	0	0	0	0	150	1.080	1.5584	255	14	220	12700	283	16900	0	0	1	S20034	A2	F2-111C	A2-109D	8PI	121	150	122	39	1	1	3	0
2-ETHOXYBENZALDEHYDE	9	10	0	2	0	0	0	0	150	1.074	1.5422	999	999	212	21200	251	10200	318	4230	1	S22254	A2	F2-105D	A2-105A	8PI	121	150	122	135	1	1	3	0
P-TOLYL_ACETATE	9	10	0	2	0	0	0	0	150	1.050	1.5000	213	999	0	0	0	0	0	0	0	""	B	S-267	S-10397	8PI	108	107	43	150	1	1	3	0
M-TOLYL_ACETATE	9	10	0	2	0	0	0	0	150	1.050	1.5000	212	12	263	370	269	360	279	200	2	S-2175	B	S-29937	S-18724	8PI	108	107	43	150	1	1	3	0
PHENYL_PROPIONATE	9	10	0	2	0	0	0	0	150	1.050	1.4980	211	20	285	316	0	0	0	0	1	S21931	B	S-36113	S-21824	8PI	94	57	150	65	1	1	3	0
3-TERT-BUTYLPHENOL	10	14	0	1	0	0	0	0	150	0.000	0.0000	240	41	215	6600	272	1950	280	1700	1	S-8229	M1	F1-1074A	A1-871C	8PI	135	107	150	95	0	1	3	1
4-TERT-BUTYLPHENOL	10	14	0	1	0	0	0	0	150	0.908	0.0000	240	100	220	6950	276	2060	283	2030	2	S-179	M1	F1-1077A	A1-874B	8PI	135	107	41	150	0	1	3	1
2-TERT-BUTYLPHENOL	10	14	0	1	0	0	0	0	150	0.000	0.0000	221	999	216	5830	273	2260	280	2000	1	S20892	M1	F1-1070	S-9797	8PI	135	107	150	91	0	1	3	1
3-BUTYLPHENOL	10	14	0	1	0	0	0	0	150	0.974	0.0000	248	999	217	8080	275	2200	281	2100	1	S-5046	M1	S-25310	S-12311	8PI	108	107	77	150	0	1	3	1
2-BUTYLPHENOL	10	14	0	1	0	0	0	0	150	0.975	1.4960	235	-20	216	7110	274	2190	280	2025	1	S-6648	M1	S-48139	""	8PI	107	50	77	108	0	1	3	1
P-ETHYL-2-PHENYL_ETHYL_ALCOHOL	10	14	0	1	0	0	0	0	150	0.981	1.5229	250	8	0	0	0	0	0	0	0	""	M1	""	""	""	0	0	0	0	0	1	3	1
O-ETHYL-2-PHENYL_ETHYL_ALCOHOL	10	14	0	1	0	0	0	0	150	0.997	1.5305	250	999	0	0	0	0	0	0	0	""	M1	""	""	""	0	0	0	0	0	1	3	1
4-BUTYLPHENOL	10	14	0	1	0	0	0	0	150	0.978	1.5165	248	22	223	7300	279	1925	0	0	1	S-6731	M1	S-10331	S-2285	8PI	107	150	77	108	0	1	3	1
BUTYL_PHENYL_ETHER	10	14	0	1	0	0	0	0	150	0.935	1.4970	210	-19	265	1460	271	2100	278	1850	2	S-735	A2	F1-1036C	A1-833C	8PI	94	29	150	39	0	1	3	0
CARVONE	10	14	0	1	0	0	0	0	150	0.959	1.4985	279	999	0	0	0	0	0	0	0	""	A2	F1-449B	A1-413D	8PI	82	54	108	93	1	0	1	0
P-ETHYL_PHENETOLE	10	14	0	1	0	0	0	0	150	0.940	0.0000	211	999	0	0	0	0	0	0	0	""	B	HB	""	HB	107	150	135	77	0	1	3	0
O-NITROBENZALDEHYDE	7	5	1	3	0	0	0	0	151	0.000	0.0000	999	46	252	4400	0	0	0	0	1	S-1091	A2	F2-106C	A2-105C	8PI	65	121	51	93	1	1	3	0
M-NITROBENZALDEHYDE	7	5	1	3	0	0	0	0	151	0.000	0.0000	999	59	259	7600	333	333	0	0	1	S-626	A2	F2-108D	A2-107C	8PI	151	150	77	51	1	1	3	0
P-NITROBENZALDEHYDE	7	5	1	3	0	0	0	0	151	0.000	0.0000	999	108	265	10600	0	0	0	0	1	S-1092	A2	F21-112D	a2-111B	8PI	151	150	77	51	1	1	3	0
2-CHLOROBENZYL_CYANIDE	8	6	1	0	1	0	0	0	151	0.000	1.5440	241	24	0	0	0	0	0	0	0	""	A2	F2-429D	A2-405C	""	0	0	0	0	0	1	3	0
4-CHLOROBENZYL_CYANIDE	8	6	1	0	1	0	0	0	151	0.000	0.0000	266	31	260	220	267	290	275	255	2	S-1694	A2	F2-434B	S-3190	8PI	116	151	89	117	0	1	3	0
3-CHLOROBENZYL_CYANIDE	8	6	1	0	1	0	0	0	151	1.283	1.5437	999	999	213	8880	267	266	274	274	1	S-7998	A2	F2-432B	A2-407D	8PI	116	151	89	117	0	1	3	0
METHYL_ANTHRANILATE	8	9	1	2	0	0	0	0	151	1.168	1.5824	256	24	218	27900	247	7110	336	4910	1	S-280	A2	F2-301D	S-1200	8PI	120	151	92	65	1	1	3	1
5-NITRO-1,3-DIMETHYLBENZENE	8	9	1	2	0	0	0	0	151	0.000	0.0000	275	74	206	13500	269	6830	0	0	1	S23718	A2	F1-1372B	A1-1176B	""	0	0	0	0	0	1	3	0
4-NITRO-1,3-DIMETHYLBENZENE	8	9	1	2	0	0	0	0	151	1.117	1.5491	244	999	265	6730	0	0	0	0	1	S24506	A2	F1-1349D	A1-1151D	8PI	134	79	77	106	0	1	3	0
4-NITRO-1,2-DIMETHYLBENZENE	8	9	1	2	0	0	0	0	151	1.139	0.0000	999	31	204	14500	278	9070	0	0	1	S-6806	A2	F1-1349C	A1-1151C	8PI	151	77	105	79	0	1	3	0
3-NITRO-1,2-DIMETHYLBENZENE	8	9	1	2	0	0	0	0	151	1.129	1.5434	245	9	207	13240	258	3775	0	0	1	S-6805	A2	F1-1345A	A1-1146C	8PI	77	134	79	103	0	1	3	0
2-NITRO-1,3-DIMETHYLBENZENE	8	9	1	2	0	0	0	0	151	1.112	1.5220	226	16	207	12200	251	1310	0	0	1	S-9710	A2	F1-1344D	A1-1146B	8PI	77	79	105	91	0	1	3	0
TETRACHLOROMETHANE	1	0	0	0	4	0	0	0	152	1.594	1.4601	77	-23	0	0	0	0	0	0	0	""	M3	F1-84C	NO_NMR!	8PI	117	119	121	82	0	0	0	0
M-ANISIC_ACID	8	8	0	3	0	0	0	0	152	0.000	0.0000	999	103	230	6620	294	2430	0	0	1	S19645	A2	F2-192A	A2-189B	8PI	152	135	107	77	1	1	3	1
O-ANISIC_ACID	8	8	0	3	0	0	0	0	152	0.000	0.0000	999	99	232	6650	293	2950	0	0	1	S-1487	A2	F2-188A	A2-185B	8PI	152	77	135	91	1	1	3	1
P-ANISIC_ACID	8	8	0	3	0	0	0	0	152	0.000	0.0000	999	184	253	16500	0	0	0	0	1	S-730	A2	F2-196D	A2-193D	8PI	135	152	77	107	1	1	3	1
METHYL_3-HYDROXYBENZOATE	8	8	0	3	0	0	0	0	152	0.000	0.0000	281	74	208	31200	236	7460	299	2940	1	S11462	A2	F2-296B	S-514	8PI	121	152	93	65	1	1	3	1
METHYL_4-HYDROXYBENZOATE	8	8	0	3	0	0	0	0	152	0.000	0.0000	999	128	256	16700	0	0	0	0	1	S-969	A2	F2-296D	A2-286C	8PI	121	152	93	65	1	1	3	1
METHYL_SALICYLATE	8	8	0	3	0	0	0	0	152	1.174	1.5365	222	-7	237	1200	305	5300	0	0	1	S15751	A2	F2-295C	S-7214	8PI	120	92	152	121	1	1	3	1
PHENOXYACETIC_ACID	8	8	0	3	0	0	0	0	152	0.000	0.0000	999	100	218	7060	263	1050	269	1430	1	S-1637	A2	F2-142C	A2-138D	8PI	107	77	152	94	1	1	3	1
CINNAMYL_CHLORIDE_(Ph-C=C-C-Cl)	9	9	0	0	1	0	0	0	152	0.000	1.5845	999	-19	254	13910	293	1070	0	0	4	L-14	A2	F1-1026A	A1-817D	8PI	117	115	152	116	0	1	3	0
BENZALDEHYDE_DIMETHYL_ACETAL	9	12	0	2	0	0	0	0	152	1.014	1.4938	999	999	0	0	0	0	0	0	0	""	A2	F1-1066	A1-860B	8PI	91	92	45	120	0	1	3	0
2,3-DIMETHOXYTOLUENE	9	12	0	2	0	0	0	0	152	1.025	1.5145	203	999	0	0	0	0	0	0	0	""	A2	F1-1046B	A1-842A	REG	152	137	109	91	0	1	3	0
2,6-DIMETHOXYTOLUENE	9	12	0	2	0	0	0	0	152	0.000	0.0000	999	40	269	900	272	900	278	920	1	S-6278	A2	F1-1046C	A1=842B	REG	152	91	107	121	0	1	3	0
2,5-DIMETHOXYTOLUENE	9	12	0	2	0	0	0	0	152	0.000	0.0000	218	15	227	12800	289	5390	0	0	1	S23267	B	S-31153	S-18987	HB	137	152	109	77	0	1	3	0
CAMPHOR	10	16	0	1	0	0	0	0	152	0.000	0.0000	999	177	0	0	0	0	0	0	0	""	A2	F1-442A	A1-404D	8PI	95	81	108	152	1	0	1	0
1-HEXYLCYCLOPENTENE	11	20	0	0	0	0	0	0	152	0.816	1.4540	200	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-UNDECYNE	11	20	0	0	0	0	0	0	152	0.775	1.4314	195	-25	0	0	0	0	0	0	0	""	A1	S-30213	S-17681	8PI	81	41	67	55	0	0	3	0
2-UNDECYNE	11	20	0	0	0	0	0	0	152	1.437	0.0540	206	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	41	95	55	67	0	0	1	0
3-UNDECYNE	11	20	0	0	0	0	0	0	152	0.771	1.4340	200	999	0	0	0	0	0	0	0	""	A1	S-30221	S-17689	8PI	67	41	39	81	0	0	1	0
P-NITROANISOLE	7	7	1	3	0	0	0	0	153	1.233	0.0000	999	999	227	7180	305	10600	0	0	1	S-1644	A2	F1-1340D	A1-1144B	8PI	153	77	92	123	0	1	3	0
2-NITROBENZYL_ALCOHOL	7	7	1	3	0	0	0	0	153	0.000	0.0000	270	72	260	5800	0	0	0	0	1	S6795	A2	F1-1332A	A1-1132B	8PI	77	79	51	135	0	1	3	1
3-NITROBENZYL_ALCOHOL	7	7	1	3	0	0	0	0	153	0.000	0.0000	999	32	262	7210	0	0	0	0	1	S16310	A2	F1-1336D	A1-1137A	REG	77	89	136	153	0	1	3	1
4-NITROBENZYL_ALCOHOL	7	7	1	3	0	0	0	0	153	0.000	0.0000	999	94	214	6650	271	8790	0	0	1	S18464	A2	F1-1341D	A1-1140C	8PI	77	107	51	89	0	1	3	1
M-NITROANISOLE	7	7	1	3	0	0	0	0	153	0.000	0.0000	999	38	211	13700	227	10600	267	6200	1	S23041	A2	F1-1336	S-17156	REG	153	77	92	107	0	1	3	0
O-NITROANISOLE	7	7	1	3	0	0	0	0	153	1.254	1.5603	273	10	211	55640	258	12860	321	9610	1	S-1643	A2	F1-1331D	A1-1134C	8PI	77	106	153	92	0	1	3	0
NONYL_CYANIDE	10	19	1	0	0	0	0	0	153	0.820	1.4296	243	-15	0	0	0	0	0	0	0	""	M3	S-30873	S-16727	8PI	41	96	110	82	0	0	1	0
2-AMINO-4-NITROPHENOL	6	6	2	3	0	0	0	0	154	0.000	0.0000	999	144	259	11600	308	4780	373	4250	1	S-570	A2	F1-1363A	A1-1166B	8PI	91	84	49	57	0	1	2	1
1,1-DICHLOROHEXANE	6	12	0	0	2	0	0	0	154	1.029	1.4370	164	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
P-CHLOROACETOPHENONE	8	7	0	1	1	0	0	0	154	1.192	1.5550	237	18	222	7130	250	10100	0	0	1	S-494	M1	F2-28A	A2-27B	8PI	139	111	154	141	1	1	3	0
O-CHLOROACETOPHENONE	8	7	0	1	1	0	0	0	154	1.188	1.5438	999	999	237	6000	283	829	0	0	1	S22062	A2	F2-23C	A2-27A	8PI	139	141	111	154	1	1	3	0
M-CHLOROACETOPHENONE	8	7	0	1	1	0	0	0	154	1.200	1.5504	241	999	239	10600	286	1090	0	0	1	S22059	B	S-31222	S-19040	8PI	139	111	154	141	1	1	3	0
2,6-DIMETHOXYPHENOL	8	10	0	3	0	0	0	0	154	0.000	0.0000	261	55	268	991	0	0	0	0	1	S18961	A2	F1-1083D	A1-878B	8PI	154	139	93	96	0	1	3	1
3,5-DIMETHYOXYPHENOL	8	10	0	3	0	0	0	0	154	0.000	0.0000	175	47	266	527	0	0	0	0	1	S14278	A2	F1-1085C	A1-906C	8PI	154	125	69	94	0	1	3	1
2,3-DIMETHOXYPHENOL	8	10	0	3	0	0	0	0	154	1.182	1.5392	234	999	0	0	0	0	0	0	0	""	A2	F1-1081C	A1-896B	""	0	0	0	0	0	1	3	1
3,4-DIMETHOXYPHENOL	8	10	0	3	0	0	0	0	154	0.000	0.0000	999	83	0	0	0	0	0	0	0	""	A2	F1-1091C	A1-887C	8PI	154	139	111	69	0	1	3	1
P-CHLOROCUMENE	9	11	0	0	1	0	0	0	154	1.021	1.5117	198	-12	0	0	0	0	0	0	0	""	M1	""	""	8PI	103	141	154	77	0	1	3	0
O-CHLOROCUMENE	9	11	0	0	1	0	0	0	154	1.034	1.5168	191	-74	0	0	0	0	0	0	0	""	M1	""	""	8PI	139	103	141	154	0	1	3	0
4-TERT-BUTYLCYCLOHEXANONE	10	18	0	1	0	0	0	0	154	0.000	0.0000	999	49	0	0	0	0	0	0	0	""	A2	F1-434D	A1-397B	8PI	57	41	98	43	1	0	1	0
2-TERT-BUTYLCYCLOHEXANONE	10	18	0	1	0	0	0	0	154	0.896	1.4565	999	999	0	0	0	0	0	0	0	""	A2	F1-433B	A1-395A	""	0	0	0	0	1	0	1	0
CYCLODECANONE	10	18	0	1	0	0	0	0	154	0.958	1.4820	999	24	0	0	0	0	0	0	0	""	A2	F1-438A	A1-400B	8PI	55	111	98	27	1	0	1	0
ISOBORNEOL	10	18	0	1	0	0	0	0	154	0.000	0.0000	999	214	0	0	0	0	0	0	0	""	A2	F1-169C	A1-157B	8PI	95	41	43	110	0	0	1	1
BORNEOL	10	18	0	1	0	0	0	0	154	0.000	0.0000	210	207	0	0	0	0	0	0	0	""	A2	F1-169B	A1-157A	8PI	95	41	110	139	0	0	1	1
PENTYLCYCLOHEXANE	11	22	0	0	0	0	0	0	154	0.804	1.4437	204	-58	0	0	0	0	0	0	0	""	A1	S-9011	S-3964	8PI	83	55	82	41	0	0	1	0
HEXYLCYCLOPENTANE	11	22	0	0	0	0	0	0	154	0.797	1.4392	203	-73	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
CYCLOUNDECANE	11	22	0	0	0	0	0	0	154	0.862	1.4760	221	-7	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2-METHYL-1-DECENE	11	22	0	0	0	0	0	0	154	0.754	1.4285	191	-51	0	0	0	0	0	0	0	""	A1	""	""	8PI	56	41	57	69	0	0	3	0
1-UNDECENE	11	22	0	0	0	0	0	0	154	0.750	1.4261	193	-49	0	0	0	0	0	0	0	""	A1	F1-14D	A1-21C	8PI	41	43	55	70	0	0	3	0
BIPHENYL	12	10	0	0	0	0	0	0	154	0.000	0.0000	255	69	201	46500	247	17000	0	0	3	D10/T2	A1	F1-948A	A1-755A	8PI	154	153	152	77	0	1	2	0
IODOETHANE	2	5	0	0	0	0	1	0	156	1.936	1.5133	72	-111	0	0	0	0	0	0	0	""	M3	F1-55C	A1-59B	8PI	156	29	27	127	0	0	1	0
1-BROMO-3-CHLOROPROPANE	3	6	0	0	1	1	0	0	156	1.592	1.4851	144	999	0	0	0	0	0	0	0	""	A2	F1-73C	V-29	8PI	41	77	158	76	0	0	1	0
2-BROMO-1-CHLOROPROPANE	3	6	0	0	1	1	0	0	156	1.537	1.4783	117	999	0	0	0	0	0	0	0	""	A2	F1-80D	""	8PI	77	41	79	39	0	0	1	0
BROMOBENZENE	6	5	0	0	0	1	0	0	156	1.495	1.5597	156	-31	209	8350	213	8800	222	6100	3	S-954	M1	F1-971C	S-1212	8PI	77	156	158	51	0	1	2	0
O-CHLOROBENZOIC_ACID	7	5	0	2	1	0	0	0	156	0.000	0.0000	999	139	228	5500	279	788	0	0	1	S-101	A2	F2-187B	A2-184A	8PI	139	156	141	111	1	1	2	1
P-CHLOROBENZOIC_ACID	7	5	0	2	1	0	0	0	156	0.000	0.0000	999	240	237	15190	280	580	0	0	1	S-56	A2	F2-195C	A2-192D	8PI	139	156	111	141	1	1	2	1
M-CHLOROBENZOIC_ACID	7	5	0	2	1	0	0	0	156	0.000	0.0000	999	156	228	8143	281	951	289	845	1	S-1824	A2	F2-191A	A2-188B	8PI	139	156	111	141	1	1	2	1
P-CHLORO-2-PHENYL_ETHYL_ALCOHOL	8	9	0	1	1	0	0	0	156	1.180	1.5487	259	999	219	8750	267	364	275	330	1	S26383	M1	F1-1165D	A1-964A	8PI	141	77	143	156	0	1	3	1
2-CHLORO-4,5-DIMETHYLPHENOL	8	9	0	1	1	0	0	0	156	0.000	0.0000	999	71	219	7500	282	2940	0	0	1	S36995	A2	F1-1099B	A1-893C	""	0	0	0	0	0	1	3	1
4-CHLORO-3,5-DIMETHYLPHENOL	8	9	0	1	1	0	0	0	156	0.000	0.0000	999	115	222	7050	281	1670	287	1600	1	S-516	A2	F1-1093C	A1-889B	8PI	121	156	91	77	0	1	3	1
B-CHLOROPHENETOLE	8	9	0	1	1	0	0	0	156	0.000	1.5340	220	28	219	7650	270	1733	277	1560	2	S-3802	B	S-24407	S-11966	8PI	94	156	107	77	0	1	3	0
DECANAL	10	20	0	1	0	0	0	0	156	0.825	1.4272	213	-6	0	0	0	0	0	0	0	""	A1	F1-469A	A1-360C	8PI	57	43	55	44	1	0	1	0
2-DECANONE	10	20	0	1	0	0	0	0	156	0.824	1.4252	213	3	0	0	0	0	0	0	0	""	A1	F1-411C	A1-375A	8PI	58	43	59	71	1	0	1	0
4-DECANONE	10	20	0	1	0	0	0	0	156	0.824	1.4237	206	999	0	0	0	0	0	0	0	""	A2	F1-411D	A1-375B	8PI	43	71	27	58	1	0	1	0
MENTHOL	10	20	0	1	0	0	0	0	156	0.890	0.0000	212	45	0	0	0	0	0	0	0	""	A2	F1-163A	A1-154A.	8PI	71	81	95	55	0	0	1	1
2,2-DIMETHYLNONANE	11	24	0	0	0	0	0	0	156	0.735	1.4144	180	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
UNDECANE	11	24	0	0	0	0	0	0	156	0.740	1.4173	196	-26	0	0	0	0	0	0	0	""	A1	F1-2D	A1-10D	8PI	57	43	71	85	0	0	1	0
2,3-DIMETHYLNONANE	11	24	0	0	0	0	0	0	156	0.748	1.4199	186	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	41	0	0	1	0
3-METHYLDECANE	11	24	0	0	0	0	0	0	156	0.743	1.4185	190	-76	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	56	0	0	1	0
2-METHYLDECANE	11	24	0	0	0	0	0	0	156	0.737	1.4154	189	-49	0	0	0	0	0	0	0	""	A1	S-48476	S-5682	8PI	43	57	41	71	0	0	1	0
2,4-DIMETHYLNONANE	11	24	0	0	0	0	0	0	156	0.739	1.4158	177	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-CHLORO-3-NITROBENZENE	6	4	1	2	1	0	0	0	157	1.534	0.0000	236	43	206	19500	257	7220	0	0	1	S-958	A2	F1-1335C	A1-1138A	8PI	111	157	75	113	0	1	2	0
1-CHLORO-2-NITROBENZENE	6	4	1	2	1	0	0	0	157	1.348	0.0000	246	34	210	14300	251	3620	0	0	1	S21893	A2	F1-1330D	S-10548	8PI	75	157	111	99	0	1	2	0
1-CHLORO-4-NITROBENZENE	6	4	1	2	1	0	0	0	157	1.298	0.0000	242	84	215	8140	270	10300	0	0	1	S-1290	A2	F1-1340A	A1-1143A	8PI	157	111	75	127	0	1	2	0
BENZENESULFONAMIDE	6	7	1	2	0	0	0	1	157	0.000	0.0000	999	151	218	9180	258	476	270	503	1	S-1606	A2	F2-528B	A2-847B	8PI	77	51	93	157	0	1	2	1
1-AMINODECANE	10	23	1	0	0	0	0	0	157	0.794	1.4369	221	16	0	0	0	0	0	0	0	""	M3	F1-282C	A1-240D	8PI	30	41	29	43	0	0	1	1
DIMETHYL_ETHYLIDENEMALONATE	7	10	0	4	0	0	0	0	158	1.111	1.4474	999	999	0	0	0	0	0	0	0	""	A2	F1-645B	""	HB	126	127	59	68	1	0	3	0
TERT-BUTYL_ACETOACETATE	8	14	0	3	0	0	0	0	158	0.954	1.4180	999	999	0	0	0	0	0	0	0	""	A2	F1-688C	A1-579B	8PI	59	43	57	84	1	0	1	0
NONANOIC_ACID	9	18	0	2	0	0	0	0	158	0.901	1.4322	256	12	0	0	0	0	0	0	0	""	A1	F1-483B	A1-421A	8PI	60	73	57	43	1	0	1	1
METHYL_CAPRYLATE	9	18	0	2	0	0	0	0	158	0.877	1.4165	195	999	0	0	0	0	0	0	0	""	A2	F1-607B	S-6834	8PI	74	87	43	55	1	0	1	0
PENTYL_BUTYRATE	9	18	0	2	0	0	0	0	158	0.870	1.4123	186	-73	0	0	0	0	0	0	0	""	B	S-15087	S-6507	8PI	71	43	70	27	1	0	1	0
ETHYL_HEPTANOATE	9	18	0	2	0	0	0	0	158	0.870	1.4128	189	-66	0	0	0	0	0	0	0	""	B	S-29778	S-283	8PI	88	43	29	60	1	0	1	0
2-DECANOL	10	22	0	1	0	0	0	0	158	0.825	1.4341	217	-2	0	0	0	0	0	0	0	""	A1	F1-121C	A1-113B	8PI	45	43	41	55	0	0	1	1
1-DECANOL	10	22	0	1	0	0	0	0	158	0.830	1.4373	230	7	0	0	0	0	0	0	0	""	A1	F1-111C	S-10207	8PI	55	70	56	43	0	0	1	1
3-DECANOL	10	22	0	1	0	0	0	0	158	0.827	1.4348	999	-5	0	0	0	0	0	0	0	""	R1	S-9805	S-4556	8PI	59	69	55	41	0	0	1	1
5-METHYL-5-NONANOL	10	22	0	1	0	0	0	0	158	0.830	1.4350	999	999	0	0	0	0	0	0	0	""	R1	S-64980	S-37636	REG	101	55	83	45	0	0	1	1
4-METHYL-4-NONANOL	10	22	0	1	0	0	0	0	158	0.830	1.4350	999	999	0	0	0	0	0	0	0	""	R1	S-9132	S-3933	8PI	87	45	43	115	0	0	1	1
3-METHYL-3-NONANOL	10	22	0	1	0	0	0	0	158	0.831	1.4380	999	999	0	0	0	0	0	0	0	""	R1	""	""	8PI	73	55	43	69	0	0	1	1
5-DECANOL	10	22	0	1	0	0	0	0	158	0.824	1.4333	201	8	0	0	0	0	0	0	0	""	R1	S-4628	S-43510	8PI	69	83	87	55	0	0	1	1
2-METHYL-2-NONANOL	10	22	0	1	0	0	0	0	158	0.000	1.4320	999	999	0	0	0	0	0	0	0	""	R1	S-43904	S-23063	""	0	0	0	0	0	0	1	1
4-DECANOL	10	22	0	1	0	0	0	0	158	0.824	1.4334	210	-11	0	0	0	0	0	0	0	""	R1	F1-121D	A1-113C	8PI	55	73	97	43	0	0	1	1
ISOAMYL_ETHER	10	22	0	1	0	0	0	0	158	0.778	1.4080	173	999	0	0	0	0	0	0	0	""	A2	F1-205A	S-17237	8PI	71	43	41	59	0	0	1	0
PENTYL_ETHER	10	22	0	1	0	0	0	0	158	0.785	1.4119	188	-69	0	0	0	0	0	0	0	""	A2	F1-204D	A1-174C	8PI	71	43	70	69	0	0	1	0
M-DIISOPROPENYLBENZENE	12	14	0	0	0	0	0	0	158	0.925	1.5564	231	999	0	0	0	0	0	0	0	""	A2	F1-947C	""	8PI	158	128	143	115	0	1	3	0
P-DIISOPROPENYLBENZENE	12	14	0	0	0	0	0	0	158	0.000	0.0000	0	66	0	0	0	0	0	0	0	""	A2	F1-947D	""	8PI	158	143	128	115	0	1	3	0
3,4-DICHLOROTOLUENE	7	6	0	0	2	0	0	0	160	1.253	1.5471	209	-15	218	8060	273	513	281	281	1	S-210	M1	F1-1004A	A1-806B	8PI	125	160	127	162	0	1	3	0
2,5-DICHLOROTOLUENE	7	6	0	0	2	0	0	0	160	1.254	1.5465	199	5	224	10900	265	195	272	450	1	S22985	A2	F1-1006D	A1-806C	8PI	125	160	162	115	0	1	3	0
2,6-DICHLOROTOLUENE	7	6	0	0	2	0	0	0	160	1.254	1.5507	200	999	266	201	274	146	0	0	2	S-5404	A2	F1-1000D	S-894	8PI	125	160	127	162	0	1	3	0
2,4-DICHLOROTOLUENE	7	6	0	0	2	0	0	0	160	1.246	1.5454	200	999	218	3740	266	378	272	588	1	S-211	A2	F1-1004D	A1-803D	8PI	125	160	127	162	0	1	3	0
2,3-DICHLOROTOLUENE	7	6	0	0	2	0	0	0	160	1.228	1.5517	208	6	0	0	0	0	0	0	0	""	A2	F1-1000C	A1-801C	REG	125	89	160	162	0	1	3	0
3-CHLOROBENZYL_CHLORIDE	7	6	0	0	2	0	0	0	160	1.270	1.5554	216	999	216	11200	271	541	278	430	1	S29636	A2	F1-986C	A1-789B	8PI	125	127	160	162	0	1	3	0
2-CHLOROBENZYL_CHLORIDE	7	6	0	0	2	0	0	0	160	1.274	1.5595	214	999	265	300	271	339	278	278	1	S-206	A2	F1-980B	S-1182	8PI	125	127	160	89	0	1	3	0
4-CHLOROBENZYL_CHLORIDE	7	6	0	0	2	0	0	0	160	0.000	0.0000	999	30	261	346	268	310	275	200	2	S-209	A2	F1-992D	A1-797D	8PI	125	89	127	63	0	1	3	0
A,A,-DICHLOROTOLUENE	7	6	0	0	2	0	0	0	160	1.254	1.5499	999	-16	259	402	265	446	272	440	3	S-657	A2	F1-973B	S-685	8PI	125	127	89	160	0	1	3	0
DIETHYL_MALONATE	7	12	0	4	0	0	0	0	160	1.055	1.4135	199	-50	0	0	0	0	0	0	0	""	A2	F1-614B	A1-519D	8PI	115	29	43	133	1	0	1	0
DIMETHYL_GLUTARATE	7	12	0	4	0	0	0	0	160	1.087	1.4246	999	999	0	0	0	0	0	0	0	""	A2	F1-617C	A1-522A	8PI	59	99	55	129	1	0	1	0
1-NONANETHIOL	9	20	0	0	0	0	0	1	160	0.844	1.4560	220	-20	0	0	0	0	0	0	0	""	A1	F1-256D	S-16800	8PI	41	43	56	55	0	0	1	0
CYCLOHEXYLBENZENE	12	16	0	0	0	0	0	0	160	0.950	1.5258	239	5	258	212	260	210	267	163	2	S-2172	A2	F1-935C	A1-738A	8PI	104	117	160	91	0	0	3	0
2,6-DICHLOROANILINE	6	5	1	0	2	0	0	0	161	0.000	0.0000	999	40	213	15700	238	7100	298	3670	1	S29667	A2	F1-1214D	A1-1020D	8PI	161	163	90	63	0	1	2	1
2,4-DICHLOROANILINE	6	5	1	0	2	0	0	0	161	0.000	0.0000	245	61	245	10900	305	1540	0	0	1	S16957	A2	F1-1219D	A1-1029C	8PI	161	163	90	99	0	1	2	1
3,4-DICHLOROANILINE	6	5	1	0	2	0	0	0	161	0.000	0.0000	272	72	247	11800	0	0	0	0	1	S-1794	A2	F1-1219C	A1-1029A	8PI	161	163	99	90	0	1	2	1
2,3-DICHLOROANILINE	6	5	1	0	2	0	0	0	161	0.000	1.5969	252	24	240	6800	292	2620	299	2500	2	S-6233	A2	F1-1215A	A1-1021B	8PI	161	163	90	99	0	1	2	1
2,5-DICHLOROANILINE	6	5	1	0	2	0	0	0	161	0.000	0.0000	251	50	241	8910	296	3420	0	0	2	S-253	A2	F1-1220A	A1-1030A	8PI	161	163	90	63	0	1	2	1
3,5-DICHLOROANILINE	6	5	1	0	2	0	0	0	161	0.000	0.0000	262	53	213	30800	250	8910	300	2300	1	S-6259	A2	F1-1229B	A1-1039B	8PI	161	163	90	99	0	1	2	1
BROMODICHLOROMETHANE	1	1	0	0	2	1	0	0	162	1.980	1.4953	87	-55	0	0	0	0	0	0	0	""	A2	F1-83C	A1-82B	8PI	83	85	47	48	0	0	1	0
2,3-DICHLOROPHENOL	6	4	0	1	2	0	0	0	162	0.000	0.0000	206	59	273	2220	280	2210	0	0	1	S24597	A2	F1-1081B	A1-876B	8PI	162	164	126	63	0	1	2	1
2,4-DICHLOROPHENOL	6	4	0	1	2	0	0	0	162	0.000	0.0000	210	43	221	6580	229	6550	287	2450	1	S-9786	A2	F1-1089C	A1-885C	8PI	162	164	63	98	0	1	2	1
2,5-DICHLOROPHENOL	6	4	0	1	2	0	0	0	162	0.000	0.0000	211	57	225	4250	282	1560	289	1380	1	S-9704	A2	F1-1089D	A1-886A	8PI	162	164	63	98	0	1	2	1
2,6-DICHLOROPHENOL	6	4	0	1	2	0	0	0	162	0.000	0.0000	219	67	278	2560	285	2540	0	0	1	S-9634	A2	F1-1083B	A1-878A	8PI	162	164	63	98	0	1	2	1
3,4-DICHLOROPHENOL	6	4	0	1	2	0	0	0	162	0.000	0.0000	253	67	285	2525	0	0	0	0	1	S-5405	A2	F1-1087A	A1-881B	8PI	162	164	99	63	0	1	2	1
3,5-DICHLOROPHENOL	6	4	0	1	2	0	0	0	162	0.000	0.0000	233	68	286	2330	0	0	0	0	1	S22128	A2	F1-1085A	A1-879C	8PI	162	164	63	166	0	1	2	1
DIMETHYL_METHOXYMALONATE	6	10	0	5	0	0	0	0	162	1.172	1.4226	216	999	0	0	0	0	0	0	0	""	A2	F1-668B	A1-563A	HB	75	103	47	31	1	0	1	0
CYCLOHEXYL_BROMIDE	6	11	0	0	0	1	0	0	162	1.324	1.4950	166	999	0	0	0	0	0	0	0	""	A2	F1-104A	A1-95B	8PI	83	55	41	67	0	0	1	0
O-NITROPHENYLACETONITRILE	8	6	2	2	0	0	0	0	162	0.000	0.0000	999	84	254	6110	0	0	0	0	1	S24069	A2	F2-430C	A2-406A	8PI	89	135	63	116	0	1	3	0
P-NITROPHENYLACETONITRILE	8	6	2	2	0	0	0	0	162	0.000	0.0000	999	116	261	10200	0	0	0	0	1	S-503	A2	F2-435C	A2-410D	8PI	116	89	162	63	0	1	3	0
TRIETHYL_ORTHOACETATE	8	18	0	3	0	0	0	0	162	0.885	1.3970	142	999	0	0	0	0	0	0	0	""	A2	F1-217C	A1-186A	8PI	43	61	60	42	0	0	1	0
BIS-2-ETHOXYETHYL_ETHER	8	18	0	3	0	0	0	0	162	0.909	1.4110	185	999	0	0	0	0	0	0	0	""	A2	F1-206D	A1-175C	8PI	45	59	72	31	0	0	1	0
1-CHLORONONANE	9	19	0	0	1	0	0	0	162	0.872	1.4345	203	-39	0	0	0	0	0	0	0	""	M3	S-31715	A1-64A	8PI	91	43	55	41	0	0	1	0
BENZOYLACETONE	10	10	0	2	0	0	0	0	162	1.090	0.0000	0	59	247	6940	308	17400	0	0	1	S-1492	A2	F2-54B	A2-59D	8PI	105	69	43	162	1	1	3	0
METHYL_CINNAMATE	10	10	0	2	0	0	0	0	162	1.092	1.5771	262	36	216	16600	222	13900	275	22500	1	S-66	B	S-52	S-20	8PI	131	103	162	77	1	1	3	0
HEXYLBENZENE	12	18	0	0	0	0	0	0	162	0.858	1.4864	226	-61	0	0	0	0	0	0	0	""	A1	F1-933C	A1-734C	8PI	91	92	162	105	0	1	3	0
P-DIISOPROPYLBENZENE	12	18	0	0	0	0	0	0	162	0.857	1.4889	203	999	212	27700	217	26500	263	1460	1	S15754	A2	F1-940B	A1-743B	8PI	147	119	162	91	0	1	3	0
M-DIISOPROPYLBENZENE	12	18	0	0	0	0	0	0	162	0.856	1.4890	203	-63	211	8970	256	232	262	282	1	S15755	A2	F1-938D	A1-741D	8PI	147	119	43	162	0	1	3	0
HEXAMETHYLBENZENE	12	18	0	0	0	0	0	0	162	0.000	0.0000	264	164	221	10000	271	230	275	220	3	S15755	A2	F1-944D	A1-56D	8PI	147	162	148	27	0	1	3	0
1,3,5-TRIETHYLBENZENE	12	18	0	0	0	0	0	0	162	0.861	1.4950	215	999	216	9500	264	224	270	182	1	S-8670	A2	F1-942D	A1-745C	8PI	147	133	162	105	0	1	3	0
4-ACETAMIDOBENZALDEHYDE	9	9	1	2	0	0	0	0	163	0.000	0.0000	999	160	219	9780	290	19720	0	0	1	S-4141	B	F2-361A	A2-338D	REG	120	121	163	43	1	1	3	1
1-BROMOHEXANE	6	13	0	0	0	1	0	0	164	1.174	1.4475	155	-85	0	0	0	0	0	0	0	""	M3	F1-58C	A1-62A	8PI	43	135	137	85	0	0	1	0
2-BROMO-4-METHYLPENTANE	6	13	0	0	0	1	0	0	164	1.157	1.4421	131	-94	0	0	0	0	0	0	0	""	M3	S-26941	S-15673	""	0	0	0	0	0	0	1	0
2-BROMO-3,3-DIMETHYLBUTANE	6	13	0	0	0	1	0	0	164	1.170	1.4500	132	25	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
4-ACETYLBENZOIC_ACID	9	8	0	3	0	0	0	0	164	0.000	0.0000	999	209	0	0	0	0	0	0	0	""	A2	F2-200B	A2-197B	8PI	149	121	164	104	1	1	3	1
METHYL_BENZOYLFORMATE	9	8	0	3	0	0	0	0	164	1.155	1.5268	248	999	0	0	0	0	0	0	0	""	A2	F2-289A	A2-277D	8PI	105	77	51	50	1	1	3	0
ETHYL_PHENYLACETATE	10	12	0	2	0	0	0	0	164	1.031	1.4975	229	999	248	140	253	165	259	200	2	S-275	A2	F2-278D	S-66	8PI	91	29	31	164	1	1	3	0
PHENYL_ISOBUTYRATE	10	12	0	2	0	0	0	0	164	0.000	0.0000	215	999	265	321	0	0	0	0	1	S24729	B	S-31314	S-19102	8PI	43	94	70	71	1	1	3	0
PHENETHYL_ACETATE	10	12	0	2	0	0	0	0	164	1.080	1.5171	232	999	219	5490	225	5590	280	2470	1	S-1172	B	S-394	V-261	8PI	104	43	91	105	1	1	3	0
P-ETHOXYACETOPHENONE	10	12	0	2	0	0	0	0	164	0.000	1.5454	265	39	218	11600	272	16300	0	0	1	S22067	B	HB	""	HB	121	149	164	93	1	1	3	0
4-PHENYL-2-METHYL-2-BUTANOL	11	16	0	1	0	0	0	0	164	0.000	1.5090	999	32	0	0	0	0	0	0	0	""	A2	F1-1155C	A1-957B	""	91	59	131	146	0	1	3	1
M-NITROACETOPHENONE	8	7	1	3	0	0	0	0	165	0.000	0.0000	202	78	266	23300	0	0	0	0	1	S-1639	A2	F2-49D	A2-52C	8PI	150	104	43	165	1	1	3	0
O-NITROACETOPHENONE	8	7	1	3	0	0	0	0	165	0.000	1.5500	999	30	255	5220	0	0	0	0	1	S-8267	A2	F2-49C	A2-52A	8PI	150	51	76	123	1	1	3	0
P-NITROACETOPHENONE	8	7	1	3	0	0	0	0	165	0.000	0.0000	202	80	261	13500	0	0	0	0	1	S36840	A2	F2-50A	A2-52C	8PI	150	104	43	165	1	1	3	0
ETHYL_4-AMINOBENZOATE	9	11	1	2	0	0	0	0	165	0.000	0.0000	999	89	218	14200	289	22000	0	0	1	S-888	A2	F2-303A	A2-287D	8PI	120	65	92	39	1	1	3	0
ETHYL_3-AMINOBENZOATE	9	11	1	2	0	0	0	0	165	1.107	1.5608	999	999	221	25200	320	2080	0	0	1	S22026	A2	F2-302C	A2-285A	8PI	120	92	165	65	1	1	3	0
ETHYL_2-AMINOBENZOATE	9	11	1	2	0	0	0	0	165	1.117	1.5638	999	14	218	28500	247	7290	336	4920	1	S15764	A2	F2-302A	A2-284B	8PI	119	165	92	120	1	1	3	0
1,1,1,2-TETRACHLOROETHANE	2	2	0	0	4	0	0	0	166	1.541	1.4821	131	-70	0	0	0	0	0	0	0	""	M3	F1-87A	A1-83D	8PI	131	133	117	119	0	0	1	0
1,1,2,2-TETRACHLOROETHANE	2	2	0	0	4	0	0	0	166	1.595	1.4940	146	-44	0	0	0	0	0	0	0	""	M3	F1-86D	S-10209	8PI	83	85	61	95	0	0	1	0
2,3-DIMETHOXYLBENZALDEHYDE	9	10	0	3	0	0	0	0	166	0.000	0.0000	999	52	258	5970	317	1637	0	0	1	S-389	A2	F2-114A	A2-112B	8PI	166	77	76	151	1	1	3	0
2,4-DIMETHOXYLBENZALDEHYDE	9	10	0	3	0	0	0	0	166	0.000	0.0000	999	72	205	13600	231	14100	273	13200	1	S-7344	A2	F2-117D	A2-115C	8PI	166	165	149	135	1	1	3	0
2,5-DIMETHOXYBENZALDEHYDE	9	10	0	3	0	0	0	0	166	0.000	0.0000	999	52	223	15540	255	7560	0	0	1	S-4132	A2	F2-118A	A2-115D	8PI	166	151	123	120	1	1	3	0
3,5-DIMETHOXYBENZALDEHYDE	9	10	0	3	0	0	0	0	166	0.000	0.0000	999	47	212	21300	267	6370	321	2300	1	S23691	A2	F2-124D	A2-122A	""	0	0	0	0	1	1	3	0
3,4-DIMETHOXYBENZALDEHYDE	9	10	0	3	0	0	0	0	166	0.000	0.0000	281	44	229	17300	273	11400	307	9170	1	S-1179	A2	F2-118B	A2-116A	8PI	166	165	95	77	1	1	3	0
METHYL_2-METHOXYBENZOATE	9	10	0	3	0	0	0	0	166	1.157	1.5335	248	999	234	7080	295	3330	0	0	1	S19825	A2	F2-297D	""	8PI	135	133	77	166	1	1	3	0
METHYL_4-METHOXYBENZOATE	9	10	0	3	0	0	0	0	166	0.000	0.0000	245	50	255	19200	0	0	0	0	1	S-533	A2	F2-298A	""	8PI	135	166	77	92	1	1	3	0
PHENYLACETALDEHYDE_DIMETHYL_ACETAL	10	14	0	2	0	0	0	0	166	1.004	1.4950	221	999	252	200	258	213	263	170	2	S-1408	A2	F1-1066C	A1-860A	REG	75	91	121	103	0	1	3	0
O-DIETHOXYBENZENE	10	14	0	2	0	0	0	0	166	1.010	1.5108	219	43	243	15300	282	701	0	0	1	S-823	B	S-347	S-171	8PI	110	166	109	81	0	1	3	0
P-DIETHOXYBENZENE	10	14	0	2	0	0	0	0	166	0.000	0.0000	999	72	226	10200	290	2840	0	0	1	S-235	B	S-157	S-309	8PI	110	166	109	138	0	1	3	0
1-DODECYNE	12	22	0	0	0	0	0	0	166	0.781	1.4350	215	-19	0	0	0	0	0	0	0	""	A1	S-30214	S-17682	8PI	41	43	81	67	0	0	3	0
2-DODECYNE	12	22	0	0	0	0	0	0	166	0.788	1.4424	226	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-DODECYNE	12	22	0	0	0	0	0	0	166	0.776	1.4364	219	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	67	41	55	81	0	0	1	0
CYCLODODECENE_(TRANS)	12	22	0	0	0	0	0	0	166	0.863	1.4822	244	0	0	0	0	0	0	0	0	""	A2	F1-41D	A1-45D	8PI	41	67	54	55	0	0	3	0
DICYCLOHEXYL	12	22	0	0	0	0	0	0	166	0.864	1.4782	227	4	0	0	0	0	0	0	0	""	A2	F1-38A	A1-42B	8PI	82	83	55	67	0	0	1	0
FLUORENE	13	10	0	0	0	0	0	0	166	0.000	0.0000	298	114	219	16600	260	21200	299	9680	1	S-2114	A2	F1-960A	A1-766B	8PI	166	165	139	83	0	1	3	0
IODOACETONITRILE	2	2	1	0	0	0	1	0	167	2.307	1.5744	999	999	0	0	0	0	0	0	0	""	A2	F1-848D	A1-706B	""	0	0	0	0	0	0	1	0
P-NITROBENZOIC_ACID	7	5	1	4	0	0	0	0	167	0.000	0.0000	999	241	259	13025	0	0	0	0	1	S-513	A2	F2-199D	A2-196C	8PI	167	65	121	50	1	1	2	1
M-NITROBENZOIC_ACID	7	5	1	4	0	0	0	0	167	0.000	0.0000	999	142	255	6910	0	0	0	0	1	S-3159	A2	F2-193A	A2-190B	8PI	167	65	121	50	1	1	2	1
O-NITROBENZOIC_ACID	7	5	1	4	0	0	0	0	167	0.000	0.0000	999	148	252	3300	0	0	0	0	1	S-3158	A2	F2-189C	A2-186D	8PI	65	77	50	51	1	1	2	1
DECYL_CYANIDE	11	21	1	0	0	0	0	0	167	0.822	1.4331	260	-6	0	0	0	0	0	0	0	""	M3	S-10713	S-7369	8PI	41	43	55	97	0	0	1	0
3-IODO-1-PROPENE	3	5	0	0	0	0	1	0	168	1.849	1.5530	102	-99	0	0	0	0	0	0	0	""	M3	F1-94A	A1-87C	8PI	41	168	39	127	0	0	3	0
P-DINITROBENZENE	6	4	2	4	0	0	0	0	168	1.625	0.0000	999	173	224	4800	261	13600	301	2150	1	AD9/46	A2	F1-1344B	A1-1146A	8PI	30	75	168	50	0	1	2	0
M-DINITROBENZENE	6	4	2	4	0	0	0	0	168	1.368	0.0000	297	89	233	18500	0	0	0	0	1	S-33	A2	F1-1338A	A1-1139D	8PI	168	75	76	30	0	1	2	0
O-DINITROBENZENE	6	4	2	4	0	0	0	0	168	0.000	0.0000	999	118	248	8000	436	127	0	0	1	S22125	A2	F1-1333D	A1-1135D	REG	168	30	80	92	0	1	2	0
1,1-DICHLOROHEPTANE	7	14	0	0	2	0	0	0	168	1.009	1.4400	187	999	0	0	0	0	0	0	0	""	M3	""	""	8PI	70	41	43	55	0	0	1	0
1,2,3-TRIMETHOXYBENZENE	9	12	0	3	0	0	0	0	168	1.112	0.0000	241	45	267	696	0	0	0	0	1	S20802	A2	F1-1046D	A1-842D	8PI	168	153	110	125	0	1	3	0
1,2,4-TRIMETHOXYBENZENE	9	12	0	3	0	0	0	0	168	1.126	1.5330	247	999	225	7300	285	3570	0	0	1	S-7897	A2	F1-1049A	A1-844B	""	0	0	0	0	0	1	3	0
1,3,5-TRIMETHOXYBENZENE	9	12	0	3	0	0	0	0	168	0.000	0.0000	255	53	264	541	0	0	0	0	1	S22174	A2	F1-1050B	A1-845A	8PI	168	139	69	125	0	1	3	0
1-CHLORO-2-METHYL-2-PHENYLPROPANE	10	13	0	0	1	0	0	0	168	1.047	1.5240	999	999	0	0	0	0	0	0	0	""	A2	F1-975C	A1-777B	""	0	0	0	0	0	1	3	0
HEXYLCYCLOHEXANE	12	24	0	0	0	0	0	0	168	0.808	1.4462	225	-43	0	0	0	0	0	0	0	""	A1	S-9011	S-3964	8PI	83	55	82	41	0	0	1	0
CYCLODODECANE	12	24	0	0	0	0	0	0	168	0.863	1.4770	239	61	0	0	0	0	0	0	0	""	A1	S-984	S-9451	8PI	55	83	69	56	0	0	1	0
HEPTYLCYCLOPENTANE	12	24	0	0	0	0	0	0	168	0.801	1.4421	224	-53	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2-METHYL-1-UNDECENE	12	24	0	0	0	0	0	0	168	0.762	1.4322	212	-40	0	0	0	0	0	0	0	""	A1	F1-24D	A1-29B	8PI	56	57	41	69	0	0	3	0
1-DODECENE	12	24	0	0	0	0	0	0	168	0.758	1.4300	213	-35	0	0	0	0	0	0	0	""	A1	F1-15A	A1-21D	8PI	43	56	55	70	0	0	3	0
DIPHENYLMETHANE	13	12	0	0	0	0	0	0	168	1.006	1.5776	264	25	211	17800	218	11600	262	490	3	D10/70	A1	F1-935D	S-288	8PI	168	167	165	91	0	1	3	0
1-METHYL-2-PHENYLBENZENE	13	12	0	0	0	0	0	0	168	1.011	1.5914	255	0	201	45000	236	10200	0	0	3	AD10/3	A1	S-46816	""	8PI	167	168	165	154	0	1	3	0
1-METHYL-4-PHENYLBENZENE	13	12	0	0	0	0	0	0	168	0.000	0.0000	270	48	252	17800	0	0	0	0	1	S13281	A1	F1-950B	S-2860	8PI	168	167	165	153	0	1	3	0
1-METHYL-3-PHENYLBENZENE	13	12	0	0	0	0	0	0	168	1.014	1.6039	273	5	249	15400	0	0	0	0	1	S-8208	A1	F1-949D	S-6109	8PI	168	167	165	153	0	1	3	0
P-CHLOROACETANILIDE	8	8	1	1	1	0	0	0	169	0.000	0.0000	999	178	248	19200	0	0	0	0	1	S19177	A2	F2-357C	A2-337A	8PI	127	43	129	169	1	1	3	1
1-IODOPROPANE	3	7	0	0	0	0	1	0	170	1.749	1.5058	102	-101	0	0	0	0	0	0	0	""	M3	F1-56B	A1-60A	8PI	43	170	41	39	0	0	1	0
2-IODOPROPANE	3	7	0	0	0	0	1	0	170	1.703	1.4982	90	-90	263	525	0	0	0	0	3	A_I/5	A2	F1-66A	A1-68A	8PI	43	170	41	27	0	0	1	0
O-BROMOTOLUENE	7	7	0	0	0	1	0	0	170	1.423	1.5565	182	-28	259	250	265	305	273	257	1	S-738	M1	F1-979A	A1-780D	8PI	91	170	172	65	0	1	3	0
P-BROMOTOLUENE	7	7	0	0	0	1	0	0	170	1.340	1.5477	184	25	220	10600	269	494	277	411	1	S-740	M1	F1-991A	A1-795C	8PI	91	170	172	65	0	1	3	0
BENZYL_BROMIDE	7	7	0	0	0	1	0	0	170	1.438	1.5752	199	-2	225	7060	0	0	0	0	1	S-660	A2	F1-973A	A1-774D	8PI	91	65	170	172	0	1	3	0
M-BROMOTOLUENE	7	7	0	0	0	1	0	0	170	1.410	1.5517	184	-40	260	237	267	303	274	248	1	S-739	A2	F1-985A	A1-787D	8PI	91	170	172	65	0	1	3	0
METHYL_4-CHLOROBENZOATE	8	7	0	2	1	0	0	0	170	0.000	0.0000	999	44	239	17400	281	568	0	0	1	S28871	A2	F2-295B	A2-286B	8PI	139	111	141	170	1	1	3	0
METHYL_3-CHLOROBENZOATE	8	7	0	2	1	0	0	0	170	1.227	1.5316	101	21	230	9870	282	1170	290	1020	1	S23271	A2	F2-294B	A2-284D	8PI	139	111	170	141	1	1	3	0
UNDECANAL	11	22	0	1	0	0	0	0	170	0.827	1.4309	231	0	0	0	0	0	0	0	0	""	A1	F1-469B	S-19477	8PI	43	57	41	82	1	0	1	0
2-UNDECANONE	11	22	0	1	0	0	0	0	170	0.826	1.4291	231	13	0	0	0	0	0	0	0	""	A1	F1-412A	A1-375C	8PI	43	58	41	71	1	0	1	0
6-UNDECANONE	11	22	0	1	0	0	0	0	170	0.831	1.4280	228	15	0	0	0	0	0	0	0	""	A2	F1-412B	A1-375D	8PI	43	71	58	29	1	0	1	0
3-UNDECANONE	11	22	0	1	0	0	0	0	170	0.827	1.4291	229	13	0	0	0	0	0	0	0	""	A2	S-10643	S-3656	8PI	57	72	29	43	1	0	1	0
PHENYL_ETHER	12	10	0	1	0	0	0	0	170	1.073	1.5795	259	28	207	39600	217	39000	248	19500	1	S-1245	A2	F1-1056C	A1-852A	8PI	170	141	51	77	0	1	2	0
M-PHENYLPHENOL	12	10	0	1	0	0	0	0	170	0.000	0.0000	999	78	250	7140	0	0	0	0	1	S-1629	A2	F1-1116	S-262	8PI	170	169	141	115	0	1	2	1
P-PHENYLPHENOL	12	10	0	1	0	0	0	0	170	0.000	0.0000	321	167	260	18100	0	0	0	0	1	S-330	A2	F1-1116B	A1-907B	8PI	170	141	115	171	0	1	2	1
O-PHENYLPHENOL	12	10	0	1	0	0	0	0	170	0.000	0.0000	282	60	246	5560	287	2470	0	0	1	S-341	A2	F1-115D	A1-906D	8PI	170	169	141	115	0	1	2	1
DODECANE	12	26	0	0	0	0	0	0	170	0.749	1.4216	216	-10	0	0	0	0	0	0	0	""	A1	A-4A	A1-11A	8PI	57	43	71	85	0	0	1	0
2-METHYLUNDECANE	12	26	0	0	0	0	0	0	170	0.746	1.4199	210	-47	0	0	0	0	0	0	0	""	A1	S-33640	S-21416	8PI	43	57	41	71	0	0	1	0
2,2-DIMETHYLDECANE	12	26	0	0	0	0	0	0	170	0.744	1.4190	201	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	56	41	43	0	0	1	0
2,3-DIMETHYLDECANE	12	26	0	0	0	0	0	0	170	0.756	1.4243	206	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-METHYLUNDECANE	12	26	0	0	0	0	0	0	170	0.752	1.4229	211	-58	0	0	0	0	0	0	0	""	A1	S-67434	S-40341	8PI	57	43	71	85	0	0	1	0
2,4-DIMETHYLDECANE	12	26	0	0	0	0	0	0	170	0.749	1.4213	198	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	57	71	85	0	0	1	0
P-BROMOANILINE	6	6	1	0	0	1	0	0	171	0.000	0.0000	999	63	245	12556	297	1462	0	0	1	S-1829	A2	F1-1207C	A1-1010C	8PI	171	92	173	91	0	1	2	1
M-BROMOANILINE	6	6	1	0	0	1	0	0	171	1.580	1.6250	251	17	240	14900	292	4770	0	0	1	S28651	A2	F1-1199A	A1-1002B	8PI	171	92	173	91	0	1	2	1
O-BROMOANILINE	6	6	1	0	0	1	0	0	171	0.000	0.0000	229	30	237	7750	293	2720	0	0	1	S23042	A2	F1-1195A	A1-995C	8PI	92	171	173	91	0	1	2	1
2-NITROBENZYL_CHLORIDE	7	6	1	2	1	0	0	0	171	0.000	0.0000	999	48	265	10700	0	0	0	0	1	S-6794	A2	F1-1329C	A1-1131D	8PI	172	131	174	105	0	1	3	0
3-NITROBENZYL_CHLORIDE	7	6	1	2	1	0	0	0	171	0.000	0.0000	87	47	0	0	0	0	0	0	0	""	A2	F1-1334B	A1-1136C	HB	136	89	91	171	0	1	3	0
4-NITROBENZYL_CHLORIDE	7	6	1	2	1	0	0	0	171	0.000	0.0000	999	73	260	15050	0	0	0	0	2	S-3800	A2	F1-1338D	A1-1141C	8PI	136	89	171	125	0	1	3	0
4-CHLORO-3-NITROTOLUENE	7	6	1	2	1	0	0	0	171	1.297	1.5580	262	7	250	3400	298	1436	0	0	2	S-6072	A2	F1-1355A	S-2107	REG	89	171	77	63	0	1	3	0
4-CHLORO-2-NITROTOLUENE	7	6	1	2	1	0	0	0	171	0.000	0.0000	999	39	215	24200	251	5260	300	1700	2	S-3293	A2	F1-1354D	A1-1155C	REG	154	89	126	171	0	1	3	0
2-CHLORO-4-NITROTOLUENE	7	6	1	2	1	0	0	0	171	0.000	0.0000	999	60	254	4660	304	1580	0	0	1	S-6140	A2	F1-1351B	A1-1158B	REG	171	89	125	63	0	1	3	0
2-CHLORO-6-NITROTOLUENE	7	6	1	2	1	0	0	0	171	0.000	0.0000	999	36	210	25800	253	6060	0	0	1	S-1291	A2	F1-1346A	A1-1147A	8PI	154	89	63	90	0	1	3	0
P-TOLUENESULFONAMIDE	7	9	1	2	0	0	0	1	171	0.000	0.0000	999	139	224	10300	257	370	273	257	1	S-611	A2	F2-530C	A2-849B	8PI	91	65	171	155	0	1	3	1
DIBROMOMETHANE	1	2	0	0	0	2	0	0	172	2.497	1.5420	97	-53	0	0	0	0	0	0	0	""	M3	F1-71A	S-6817	REG	174	172	93	95	0	0	1	0
O-BROMOPHENOL	6	5	0	1	0	1	0	0	172	1.492	1.5892	195	5	277	2670	0	0	0	0	1	S-1281	A2	F1-1072B	A1-870A	8PI	172	174	65	64	0	1	2	1
P-BROMOPHENOL	6	5	0	1	0	1	0	0	172	0.000	0.0000	236	66	226	12100	283	1930	0	0	1	S-1365	A2	F1-1078C	A1-875C	8PI	172	174	65	93	0	1	2	1
M-BROMOPHENOL	6	5	0	1	0	1	0	0	172	0.000	0.0000	236	31	276	2190	283	1880	0	0	1	S15939	A2	F1-1075B	A1-872D	8PI	172	174	65	93	0	1	2	1
2-CHLORO-4-NITROANILINE	6	5	2	2	1	0	0	0	172	0.000	0.0000	999	108	364	14700	0	0	0	0	1	S-3799	A2	F1-1365D	A1-1168D	8PI	172	90	142	63	0	1	2	1
2-CHLORO-5-NITROANILINE	6	5	2	2	1	0	0	0	172	0.000	0.0000	999	118	229	9600	250	9320	367	1850	1	S11383	A2	F1-1366B	A1-1169D	8PI	90	172	126	63	0	1	2	1
4-CHLORO-3-NITROANILINE	6	5	2	2	1	0	0	0	172	0.000	0.0000	999	100	243	17200	366	1210	0	0	1	S20942	A2	F1-1366A	A1-1170B	8PI	126	99	172	90	0	1	2	1
4-CHLORO-2-NITROANILINE	6	5	2	2	1	0	0	0	172	0.000	0.0000	999	118	234	23200	415	5190	0	0	1	S-2909	A2	F1-1366C	A1-1169A	8PI	172	126	99	90	0	1	2	1
DIETHYL_FUMARATE	8	12	0	4	0	0	0	0	172	1.052	1.4406	219	2	213	30400	0	0	0	0	1	S-282	A2	F1-645A	A1-544A	8PI	127	99	126	82	1	0	1	0
DIETHYL_MALEATE	8	12	0	4	0	0	0	0	172	1.064	1.4390	225	-10	0	0	0	0	0	0	0	""	A2	F1-644C	A1-543B	8PI	99	127	126	82	1	0	1	0
DECANOIC_ACID	10	20	0	2	0	0	0	0	172	0.901	1.4363	270	32	0	0	0	0	0	0	0	""	A1	F1-483C	S-6723	8PI	73	60	129	57	1	0	1	1
ETHYL_OCTANOATE	10	20	0	2	0	0	0	0	172	0.878	1.4166	208	-47	0	0	0	0	0	0	0	""	A2	F1-607C	A1-513B	8PI	88	101	127	73	1	0	1	0
METHYL_NONANOATE	10	20	0	2	0	0	0	0	172	0.875	1.4205	214	999	0	0	0	0	0	0	0	""	A2	F1-607D	A1-513C	8PI	87	69	141	75	1	0	1	0
OCTYL_ACETATE	10	20	0	2	0	0	0	0	172	0.868	1.4184	211	999	0	0	0	0	0	0	0	""	A2	F1-603B	S-6542	8PI	43	41	56	70	1	0	1	0
2-ETHYLHEXYL_ACETATE	10	20	0	2	0	0	0	0	172	0.870	1.4205	198	999	0	0	0	0	0	0	0	""	B	S-15012	S-7309	8PI	43	70	57	55	1	0	1	0
1-UNDECANOL	11	24	0	1	0	0	0	0	172	0.832	1.4402	245	16	0	0	0	0	0	0	0	""	A1	F1-111D	A1-103C	8PI	43	55	41	69	0	0	1	1
2-UNDECANOL	11	24	0	1	0	0	0	0	172	0.827	1.4372	235	0	0	0	0	0	0	0	0	""	A1	S-10691	S-2699	8PI	45	43	41	55	0	0	1	1
2-CHLORO-4-NITROPHENOL	6	4	1	3	1	0	0	0	173	0.000	0.0000	999	106	231	6340	310	6600	391	1200	1	S-1792	A2	F1-1362C	A1-1165D	8PI	143	173	63	99	0	1	2	1
2,4-DICHLOROBENZALDEHYDE	7	4	0	1	2	0	0	0	174	0.000	0.0000	233	73	215	23500	256	17000	292	1930	2	S-205	A2	F2-116D	A2-114C	8PI	173	175	174	145	1	1	3	0
3,4-DICHLOROBENZALDEHYDE	7	4	0	1	2	0	0	0	174	0.000	0.0000	248	44	272	505	280	613	290	480	1	S-2066	A2	F2-116C	A2-114B	8PI	173	175	174	145	1	1	3	0
2,6-DICHLOROBENZALDEHYDE	7	4	0	1	2	0	0	0	174	0.000	0.0000	999	71	217	17000	250	2770	303	830	1	S19445	A2	F2-113C	A2-112A	8PI	173	175	174	176	1	1	3	0
2,5-DICHLORO-P-XYLENE	8	8	0	0	2	0	0	0	174	0.000	0.0000	224	68	224	8750	274	717	283	774	1	S-3623	M1	F1-1011D	S-3253	8PI	139	174	176	141	0	1	3	0
A,A'-DICHLORO-M-XYLENE	8	8	0	0	2	0	0	0	174	1.202	0.0000	254	36	267	254	0	0	0	0	1	S21048	A2	F1-987A	A1-790A	8PI	139	141	174	51	0	1	3	0
A,A'-DICHLORO-O-XYLENE	8	8	0	0	2	0	0	0	174	0.000	0.0000	240	56	222	11700	270	770	0	0	1	S37043	A2	F1-981A	A2-783A	REG	139	103	104	174	0	1	3	0
A,A'-DICHLORO-P-XYLENE	8	8	0	0	2	0	0	0	174	0.000	0.0000	254	100	227	11725	264	315	270	300	1	S-3624	A2	F1-993A	A1-798B	8PI	139	141	119	91	0	1	3	0
DIETHYL_METHYLMALONATE	8	14	0	4	0	0	0	0	174	1.013	1.4130	199	999	0	0	0	0	0	0	0	""	A2	F1-614D	A1-520A	8PI	29	129	74	56	1	0	1	0
DIETHYL_SUCCINATE	8	14	0	4	0	0	0	0	174	1.047	1.4200	217	-20	0	0	0	0	0	0	0	""	A2	F1-617B	A1-521C	8PI	101	129	73	102	1	0	1	0
SUBERIC_ACID	8	14	0	4	0	0	0	0	174	0.000	0.0000	999	144	0	0	0	0	0	0	0	""	A2	F1-496B	A1-432B	8PI	60	69	41	55	1	0	1	1
DIMETHYL_ADIPATE	8	14	0	4	0	0	0	0	174	1.063	1.4285	999	8	0	0	0	0	0	0	0	""	A2	F1-618A	A1-522C	8PI	59	55	114	101	1	0	1	0
1-DECANETHIOL	10	22	0	0	0	0	0	1	174	0.844	1.4573	240	-26	0	0	0	0	0	0	0	""	A1	S-36985	S-6749	8PI	41	43	55	56	0	0	1	0
ETHYL_4-CYANOBENZOATE	10	9	1	2	0	0	0	0	175	0.000	0.0000	999	54	238	21400	282	1620	291	1440	1	S-6823	A2	F2-452C	A2-427A	""	0	0	0	0	1	0	3	0
CIS-1-BROMO-1-HEPTENE	7	13	0	0	0	1	0	0	176	1.153	1.4610	163	-98	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	3	0
BROMOMETHYLCYCLOHEXANE__C6H11-CH2Br	7	13	0	0	0	1	0	0	176	1.269	1.4907	999	999	0	0	0	0	0	0	0	""	A2	F1-104D	A1-96C	""	0	0	0	0	0	0	1	0
BROMOCYCLOHEPTANE	7	13	0	0	0	1	0	0	176	1.289	1.5052	999	999	0	0	0	0	0	0	0	""	A2	F1-104C	A1-96A	8PI	97	55	41	67	0	0	1	0
1-CHLORODECANE	10	21	0	0	1	0	0	0	176	0.871	1.4379	223	-31	0	0	0	0	0	0	0	""	M3	F1-61C	A1-64C	8PI	91	43	57	55	0	0	1	0
ETHYL_CINNAMATE	11	12	0	2	0	0	0	0	176	1.049	1.5585	271	7	216	4270	222	3580	276	5550	1	S-276	A2	F2-287D	A2-276B	8PI	131	103	77	176	1	1	3	0
HEPTYLBENZENE	13	20	0	0	0	0	0	0	176	0.857	1.4854	246	-48	0	0	0	0	0	0	0	""	A1	F1-933D	A1-734D	8PI	91	92	43	176	0	1	3	0
P-DIETHYLAMINOBENZALDEHYDE	11	15	1	1	0	0	0	0	177	0.000	0.0000	999	40	243	6340	0	0	0	0	1	S-2044	A2	F2-112C	S-534	8PI	162	177	134	77	1	1	3	0
1-BROMOHEPTANE	7	15	0	0	0	1	0	0	178	1.140	1.4502	179	-56	0	0	0	0	0	0	0	""	M3	F1-59B	A1-62D	8PI	57	135	137	43	0	0	1	0
2-BROMOHEPTANE	7	15	0	0	0	1	0	0	178	1.142	1.4470	999	999	0	0	0	0	0	0	0	""	A2	F1-68B	A1-71C	8PI	57	41	43	39	0	0	1	0
ETHYL_BENZOYLFORMATE	10	10	0	3	0	0	0	0	178	1.122	1.5148	999	999	0	0	0	0	0	0	0	""	A2	S-58354	S-21898	8PI	105	77	51	106	1	1	3	0
PHENYL_PIVALATE	11	14	0	2	0	0	0	0	178	0.000	1.4809	999	999	0	0	0	0	0	0	0	""	B	S-31276	S-21867	8PI	94	57	41	85	1	1	3	0
BUTYL_BENZOATE	11	14	0	2	0	0	0	0	178	1.000	1.4960	999	-12	228	12200	272	874	279	716	1	S-732	B	S-331	S-158	8PI	105	123	77	56	1	0	3	0
3-PHENYLPROPYL_ACETATE	11	14	0	2	0	0	0	0	178	1.025	1.4975	245	999	252	221	258	228	267	167	1	S-469	B	HB	""	HB	43	118	117	91	1	1	3	0
ETHYL_3-PHENYLPROPIONATE	11	14	0	2	0	0	0	0	178	1.000	1.4947	999	999	216	3500	259	478	268	307	1	S30669	B	S-56201	S-28990	8PI	104	91	107	105	1	1	3	0
BENZYL_BUTYRATE	11	14	0	2	0	0	0	0	178	1.010	1.4922	240	999	251	174	257	209	267	106	1	S-288	B	S-188	S-726	8PI	91	108	43	71	1	1	3	0
ANTHRACENE	14	10	0	0	0	0	0	0	178	0.000	0.0000	340	216	221	11400	246	99999	252	99999	3	E2/1	A2	F1-961D	A1-763D	8PI	178	176	89	51	0	1	2	0
DIPHENYLACETYLENE	14	10	0	0	0	0	0	0	178	0.990	0.0000	999	60	278	30300	286	21300	296	26400	1	S-1255	A2	F2-946D	A2-961D	8PI	178	76	89	176	0	1	2	0
4-ETHOXYACETANILIDE	10	13	1	2	0	0	0	0	179	0.000	0.0000	999	135	249	10000	0	0	0	0	1	S-102	A2	F2-359A	A2-338B	8PI	108	109	179	43	1	1	3	1
1,1,1,2-TETRACHLOROPROPANE	3	4	0	0	4	0	0	0	180	1.473	1.4867	150	-65	0	0	0	0	0	0	0	""	M3	S-36730	S-23279	8PI	75	110	77	97	0	0	1	0
1,2,4-TRICHLOROBENZENE	6	3	0	0	3	0	0	0	180	1.454	1.5717	213	17	220	9340	227	9200	286	438	1	S-1277	M1	F1-1003C	A1-803C	8PI	180	182	74	84	0	1	2	0
1,2,3-TRICHLOROBENZENE	6	3	0	0	3	0	0	0	180	0.000	0.0000	219	55	224	8080	264	144	271	178	1	S-1673	A2	F1-1000B	A1-800C	8PI	180	182	184	145	0	1	2	0
1,3,5-TRICHLOROBENZENE	6	3	0	0	3	0	0	0	180	0.000	0.0000	208	65	221	10700	225	9510	272	240	1	S17849	A2	F1-1008C	A1-808A	8PI	180	182	184	145	0	1	2	0
ACETYLSALICYLIC_ACID	9	8	0	4	0	0	0	0	180	0.000	0.0000	999	141	225	8280	275	1200	0	0	1	S-25	A2	F2-315D	S-9912	8PI	43	92	63	120	1	1	3	1
2,5-DIMETHOXYACETOPHENONE	10	12	0	3	0	0	0	0	180	1.139	1.5441	999	20	212	15300	228	14580	267	12780	1	S-6421	A2	F2-34D	A2-41B	8PI	165	180	107	77	1	1	3	0
3,4-DIMETHOXYACETOPHENONE	10	12	0	3	0	0	0	0	180	0.000	0.0000	288	51	227	18800	271	11600	302	8020	1	S19204	A2	F2-46B	S-22927	8PI	165	180	137	77	1	1	3	0
2,4-DIMETHOXYACETOPHENONE	10	12	0	3	0	0	0	0	180	0.000	0.0000	288	41	210	14300	227	13800	267	12100	1	S-8620	A2	F2-34C	A2-39C	""	0	0	0	0	1	1	3	0
3,5-DIMETHOXYACETOPHENONE	10	12	0	3	0	0	0	0	180	0.000	1.5430	291	34	0	0	0	0	0	0	0	""	A2	F2-36A	A2-42B	""	0	0	0	0	1	1	3	0
ETHYL_ANISATE	10	12	0	3	0	0	0	0	180	1.108	1.5252	267	7	255	17100	0	0	0	0	1	S21921	B	S-29790	S-17124	8PI	135	180	152	77	1	1	3	0
ANISYL_ACETATE	10	12	0	3	0	0	0	0	180	1.110	1.5120	270	999	226	13000	273	1520	280	1320	1	S-581	B	S-8240	S-1205	HB	121	43	91	77	1	1	3	0
FLUORENONE	13	8	0	1	0	0	0	0	180	0.000	0.0000	342	84	248	55000	256	83000	271	3250	4	E7/T1	A2	F2-74A	A2-78C	8PI	180	152	76	63	1	1	2	0
1-TRIDECYNE	13	24	0	0	0	0	0	0	180	0.786	1.4381	234	-5	0	0	0	0	0	0	0	""	A1	S-30215	S-17683	""	0	0	0	0	0	0	3	0
2-TRIDECYNE	13	24	0	0	0	0	0	0	180	0.793	1.4448	245	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-TRIDECYNE	13	24	0	0	0	0	0	0	180	0.781	1.4385	238	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,1-DIPHENYLETHENE	14	12	0	0	0	0	0	0	180	1.024	1.6087	277	8	205	44000	229	16200	250	11600	3	D10/37	A1	F1-953C	A1-749A	8PI	180	165	179	178	0	1	2	0
CIS-STILBENE	14	12	0	0	0	0	0	0	180	1.011	1.6215	999	999	223	20600	276	10900	0	0	1	S-6936	A2	F1-952A	A1-752A	8PI	180	179	178	165	0	1	2	0
TRANS-STILBENE	14	12	0	0	0	0	0	0	180	0.970	0.0000	307	124	227	21000	294	33200	307	32100	1	S18440	A2	F1-952B	A1-752B	8PI	180	179	178	165	0	1	2	0
O-BROMOBENZONITRILE	7	4	1	0	0	1	0	0	181	0.000	0.0000	252	55	232	9450	237	7800	281	1510	1	S-6617	A2	F2-444A	A2-418A	8PI	102	181	183	75	0	1	2	0
M-BROMOBENZONITRILE	7	4	1	0	0	1	0	0	181	0.000	0.0000	225	39	229	10400	234	8700	280	1000	1	S-6691	A2	F2-446B	A2-420C	8PI	102	181	183	75	0	1	2	0
P-BROMOBENZONITRILE	7	4	1	0	0	1	0	0	181	0.000	0.0000	236	111	241	20300	270	728	282	490	1	S-6692	A2	F2-449D	A2-423D	8PI	102	181	183	75	0	1	2	0
METHYL_4-NITROBENZOATE	8	7	1	4	0	0	0	0	181	0.000	0.0000	999	96	258	12000	0	0	0	0	1	S-1366	A2	F2-304D	A2-288D	8PI	150	181	104	76	1	1	3	0
METHYL_3-NITROBENZOATE	8	7	1	4	0	0	0	0	181	0.000	0.0000	279	80	217	26200	255	7360	0	0	1	S11507	A2	F2-304B	A2-285C	8PI	150	181	104	76	1	1	3	0
METHYL_2-NITROBENZOATE	8	7	1	4	0	0	0	0	181	1.280	1.5350	106	-13	250	4400	0	0	0	0	1	S22725	A2	F2-304B	A2-284C	8PI	150	181	76	51	1	1	3	0
UNDECYL_CYANIDE	12	23	1	0	0	0	0	0	181	0.824	1.4361	277	4	0	0	0	0	0	0	0	""	M3	F1-840A	A1-697D	8PI	97	43	41	110	0	0	1	0
2,6-DINITROTOLUENE	7	6	2	4	0	0	0	0	182	0.000	0.0000	999	65	233	9670	0	0	0	0	1	S-5514	A2	F1-1369A	A1-1150C	8PI	165	89	63	90	0	1	3	0
3,4-DINITROTOLUENE	7	6	2	4	0	0	0	0	182	0.000	0.0000	999	56	216	12400	262	5900	0	0	1	S15815	A2	F1-1369A	A1-1172C	8PI	30	182	39	78	0	1	3	0
2,4-DINITROTOLUENE	7	6	2	4	0	0	0	0	182	0.000	0.0000	999	69	234	13950	0	0	0	0	2	S-2550	A2	F1-1368D	A1-1172B	8PI	165	89	63	30	0	1	3	0
2,3-DINITROTOLUENE	7	6	2	4	0	0	0	0	182	0.000	0.0000	999	60	254	5610	0	0	0	0	1	S16335	A2	F1-1348D	A1-1148A	8PI	165	63	52	89	0	1	3	0
O-BROMOSTYRENE	8	7	0	0	0	1	0	0	182	1.416	1.5927	999	999	248	12550	0	0	0	0	6	L-20	A2	F1-1018	A1-815C	""	0	0	0	0	0	1	2	0
P-BROMOSTYRENE	8	7	0	0	0	1	0	0	182	1.400	1.5940	999	999	254	20500	287	1773	296	1040	1	S-6702	A2	F1-1019C	A1-817A	8PI	182	184	103	77	0	1	2	0
M-BROMOSTYRENE	8	7	0	0	0	1	0	0	182	1.406	1.5891	999	999	248	12700	0	0	0	0	6	L-20	A2	A-611E	A1-816B	""	0	0	0	0	0	1	2	0
B-BROMOSTYRENE	8	7	0	0	0	1	0	0	182	1.427	1.6100	220	7	211	19100	258	18900	285	2400	1	S-435	B	F1-1017B	A1-817C	8PI	182	184	104	77	0	1	2	0
1,1-DICHLOROOCTANE	8	16	0	0	2	0	0	0	182	0.994	1.4430	208	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
AZOBENZENE	12	10	2	0	0	0	0	0	182	1.090	0.0000	293	69	229	14400	316	23000	449	405	3	C7/5	A2	F2-965A	A2-978C	8PI	77	51	182	105	0	1	2	0
CYCLODODECANONE	12	22	0	1	0	0	0	0	182	0.906	0.0000	999	60	0	0	0	0	0	0	0	""	A2	F1-438C	A1-400D	8PI	55	41	58	71	1	0	1	0
BENZOPHENONE	13	10	0	1	0	0	0	0	182	1.085	0.0000	305	48	252	17600	333	148	342	140	4	D11/T6	M1	F2-58A	A2-61D	8PI	105	77	182	51	1	1	2	0
CYCLOTRIDECANE	13	26	0	0	0	0	0	0	182	0.862	1.4770	256	23	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
OCTYLCYCLOPENTANE	13	26	0	0	0	0	0	0	182	0.805	1.4446	244	-44	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
HEPTYLCYCLOHEXANE	13	26	0	0	0	0	0	0	182	0.811	1.4484	245	-31	0	0	0	0	0	0	0	""	A1	S-7840	S-35759	""	0	0	0	0	0	0	1	0
2-METHYL-1-DODECENE	13	26	0	0	0	0	0	0	182	0.769	1.4355	231	-31	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
1-TRIDECENE	13	26	0	0	0	0	0	0	182	0.765	1.4334	233	-23	0	0	0	0	0	0	0	""	A1	F1-15B	A1-22A	8PI	41	43	55	56	0	0	3	0
2,2'-DIMETHYLBIPHENYL	14	14	0	0	0	0	0	0	182	0.997	1.5744	258	18	264	790	271	620	0	0	3	S-9678	A1	S-48437	""	8PI	167	182	165	166	0	1	3	0
1-ETHYL-3-PHENYLBENZENE	14	14	0	0	0	0	0	0	182	0.999	1.5930	286	-28	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-ETHYL-4-PHENYLBENZENE	14	14	0	0	0	0	0	0	182	0.000	0.0000	283	47	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
4,4'-DIMETHYLBIPHENYL	14	14	0	0	0	0	0	0	182	0.000	0.0000	293	121	201	45500	255	21000	0	0	3	S-9678	A1	F1-951C	A1-757D	8PI	182	167	165	181	0	1	3	0
3,3'-DIMETHYLBIPHENYL	14	14	0	0	0	0	0	0	182	0.996	0.0000	286	7	251	16500	0	0	0	0	1	S-6161	A1	F1-950A	A1-757C	8PI	182	167	165	181	0	1	3	0
1-ETHYL-2-PHENYLBENZENE	14	14	0	0	0	0	0	0	182	0.997	1.5805	266	-6	0	0	0	0	0	0	0	""	A1	S-20008	""	8PI	167	182	165	152	0	1	3	0
1,2-DIPHENYLETHANE	14	14	0	0	0	0	0	0	182	0.000	0.0000	281	51	210	17000	254	370	259	435	3	D10/73	A1	F1-936A	A1-739B	8PI	91	182	65	92	0	1	3	0
2-METHYLDIPHENYLMETHANE	14	14	0	0	0	0	0	0	182	1.002	1.5763	281	7	0	0	0	0	0	0	0	""	A1	S-44762	""	8PI	167	182	104	165	0	1	3	0
3-METHYLDIPHENYLMETHANE	14	14	0	0	0	0	0	0	182	0.991	1.5712	279	-28	0	0	0	0	0	0	0	""	A1	S-44763	""	8PI	167	182	165	166	0	1	3	0
4-METHYLDIPHENYLMETHANE	14	14	0	0	0	0	0	0	182	0.987	1.5692	282	5	0	0	0	0	0	0	0	""	A1	S-44764	""	8PI	167	182	165	166	0	1	3	0
1,1-DIPHENYLETHANE	14	14	0	0	0	0	0	0	182	1.000	1.5725	273	-18	0	0	0	0	0	0	0	""	A1	S-45512	""	8PI	167	165	182	168	0	1	3	0
2,4-DINITROANILINE	6	5	3	4	0	0	0	0	183	0.000	0.0000	999	177	225	11100	257	9690	336	14800	1	S-387	A2	F1-1371B	A1-1175A	8PI	183	91	52	64	0	1	2	1
3,5-DINITROANILINE	6	5	3	4	0	0	0	0	183	0.000	0.0000	999	161	227	36900	255	11900	395	2180	1	S-9712	A2	F1-1373C	A1-1177C	8PI	64	183	149	107	0	1	2	1
2,6-DINITROANILINE	6	5	3	4	0	0	0	0	183	0.000	0.0000	999	133	221	23920	250	10980	317	814	1	S-5551	A2	F1-1349B	A1-1151B	8PI	183	91	64	121	0	1	2	1
1,2-DIMETHOXY-4-NITROBENZENE	8	9	1	4	0	0	0	0	183	0.000	0.0000	999	97	0	0	0	0	0	0	0	""	A2	F1-1359C	A1-1162D	8PI	79	183	30	31	0	1	3	0
1,4-DIMETHOXY-2-NITROBENZENE	8	9	1	4	0	0	0	0	183	0.000	0.0000	999	71	219	26400	355	4260	0	0	1	S28713	B	HB	S-8156	HB	77	79	107	183	0	1	3	0
AMINODIPHENYLMETHANE	13	13	1	0	0	0	0	0	183	1.063	1.5956	295	12	0	0	0	0	0	0	0	""	A2	F1-1268C	A1-1073D	""	0	0	0	0	0	1	3	1
1-IODOBUTANE	4	9	0	0	0	0	1	0	184	1.615	1.5001	131	-103	0	0	0	0	0	0	0	""	M3	F1-57A	A1-60D	8PI	57	184	29	41	0	0	1	0
2-IODO-2-METHYLPROPANE	4	9	0	0	0	0	1	0	184	1.544	1.4890	100	-38	0	0	0	0	0	0	0	""	A2	F1-67D	A1-69C	8PI	57	41	29	127	0	0	1	0
1-IODO-2-METHYLPROPANE	4	9	0	0	0	0	1	0	184	1.599	1.4948	121	999	0	0	0	0	0	0	0	""	A2	S-29735	A1-70D	8PI	57	41	184	29	0	0	1	0
2-IODOBUTANE	4	9	0	0	0	0	1	0	184	1.598	1.4991	120	-104	0	0	0	0	0	0	0	""	A2	F1-66D	A1-68D	8PI	57	29	41	184	0	0	1	0
1-BROMO-5-CHLOROPENTANE	5	10	0	0	1	1	0	0	184	1.408	1.4836	211	999	0	0	0	0	0	0	0	""	A2	F1-75D	A1-77A	REG	69	41	55	104	0	0	1	0
2,4-DINITROPHENOL	6	4	2	5	0	0	0	0	184	0.000	0.0000	999	108	254	11500	288	8930	340	5130	1	S-3234	A2	F1-1370C	A1-1174C	8PI	184	63	154	53	0	1	2	1
M-BROMOBENZALDEHYDE	7	5	0	1	0	1	0	0	184	1.587	1.5935	229	999	245	6500	291	790	0	0	1	S17179	A2	F2-108A	A2-106D	8PI	185	183	184	186	1	1	3	0
P-BROMOBENZALDEHYDE	7	5	0	1	0	1	0	0	184	0.000	0.0000	999	57	245	10900	0	0	0	0	1	S-5724	A2	F2-110D	A2-109B	8PI	185	183	184	186	1	1	3	0
O-BROMOBENZALDEHYDE	7	5	0	1	0	1	0	0	184	1.585	1.5960	230	22	248	7610	297	1170	0	0	1	S28911	A2	F2-105B	A2-104C	""	0	0	0	0	1	1	3	0
1-BROMO-4-ETHYLBENZENE	8	9	0	0	0	1	0	0	184	1.342	1.5447	205	-43	0	0	0	0	0	0	0	""	M1	F1-991C	A1-795D	8PI	169	171	184	186	0	1	3	0
1-BROMO-2-ETHYLBENZENE	8	9	0	0	0	1	0	0	184	1.355	1.5486	199	-68	259	235	266	281	273	220	1	S22542	M1	F1-979B	A1-781C	8PI	169	105	184	51	0	1	3	0
2-BROMO-P-XYLENE	8	9	0	0	0	1	0	0	184	1.340	1.5505	200	10	216	9000	271	545	278	658	1	S20875	A2	F1-1006C	A1-806A	8PI	105	184	186	51	0	1	3	0
4-BROMO-1,3-DIMETHYLBENZENE	8	9	0	0	0	1	0	0	184	1.344	1.5481	206	-17	215	9820	269	401	277	359	1	S24225	B	F1-1007B	A1-805B	8PI	105	184	186	51	0	1	3	0
2-BROMO-M-XYLENE	8	9	0	0	0	1	0	0	184	1.389	1.5550	206	-10	264	227	270	184	0	0	1	S-8492	A2	F1-1002D	A1-802D	""	0	0	0	0	0	1	3	0
(1-BROMOETHYL)BENZENE	8	9	0	0	0	1	0	0	184	1.356	1.5603	999	999	225	5360	0	0	0	0	1	S-1279	A2	F1-974B	A1-776A	8PI	105	104	103	77	0	1	3	0
(2-BROMOETHYL)BENZENE	8	9	0	0	0	1	0	0	184	1.355	1.5563	221	999	247	366	252	385	258	378	1	S-1289	A2	F1-974A	A1-776A	8PI	91	105	77	184	0	1	3	0
4-BROMO-1,2-DIMETHYLBENZENE	8	9	0	0	0	1	0	0	184	1.370	1.5560	215	999	215	9600	270	370	279	300	1	S-6710	A2	F1-1007C	A1-805A	8PI	105	184	186	51	0	1	3	0
3-BROMO-1,2-DIMETHYLBENZENE	8	9	0	0	0	1	0	0	184	1.365	1.5597	214	999	260	189	265	220	272	170	1	S19581	A2	F1-1003A	A1-803A	8PI	105	77	79	184	0	1	3	0
2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE	11	20	0	2	0	0	0	0	184	0.883	1.4589	999	999	0	0	0	0	0	0	0	""	A2	F1-425C	A1-388C	8PI	127	43	57	41	1	0	1	0
DODECANAL	12	24	0	1	0	0	0	0	184	0.829	1.4341	249	12	0	0	0	0	0	0	0	""	A1	F1-469D	A1-361B	8PI	57	43	41	55	1	0	1	0
2-DODECANONE	12	24	0	1	0	0	0	0	184	0.828	1.4323	249	21	0	0	0	0	0	0	0	""	A1	S-10655	S-3662	8PI	58	43	59	71	1	0	1	0
CYCLODODECANOL	12	24	0	1	0	0	0	0	184	0.000	0.0000	999	76	0	0	0	0	0	0	0	""	A2	F1-167D	A1-155C	8PI	41	55	82	57	0	0	1	1
DIPHENYLMETHANOL	13	12	0	1	0	0	0	0	184	0.000	0.0000	298	66	253	472	258	520	264	395	1	S-1085	A2	F1-1125B	A1-926C	8PI	105	77	78	184	0	1	3	1
2,2-DIMETHYLUNDECANE	13	28	0	0	0	0	0	0	184	0.752	1.4225	221	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	56	43	41	0	0	1	0
TRIDECANE	13	28	0	0	0	0	0	0	184	0.756	1.4256	235	-5	0	0	0	0	0	0	0	""	A1	F1-3B	S-3440	8PI	43	57	41	71	0	0	1	0
2-METHYLDODECANE	13	28	0	0	0	0	0	0	184	0.753	1.4240	230	-26	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	57	71	85	0	0	1	0
3-METHYLDODECANE	13	28	0	0	0	0	0	0	184	0.760	1.4270	230	-53	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	71	43	85	0	0	1	0
2,3-DIMETHYLUNDECANE	13	28	0	0	0	0	0	0	184	0.769	1.4319	228	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	57	71	85	0	0	1	0
2,4-DIMETHYLUNDECANE	13	28	0	0	0	0	0	0	184	0.758	1.4260	216	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	85	57	41	0	0	1	0
TRIBUTYLAMINE	12	27	1	0	0	0	0	0	185	0.778	1.4280	216	-70	0	0	0	0	0	0	0	""	A2	F1-300D	S-84	8PI	142	29	100	41	0	0	1	0
1,1-DIBROMOETHANE	2	4	0	0	0	2	0	0	186	2.056	1.5128	108	-63	0	0	0	0	0	0	0	""	M3	S-54858	S-27027	REG	107	109	27	188	0	0	1	0
1,2-DIBROMOETHANE	2	4	0	0	0	2	0	0	186	2.179	1.5387	131	10	0	0	0	0	0	0	0	""	M3	F1-72C	S-7554	8PI	107	109	27	28	0	0	1	0
P-BROMOANISOLE	7	7	0	1	0	1	0	0	186	1.494	1.5630	223	10	226	14200	281	1580	288	1280	1	S-605	A2	F1-1043D	A1-839D	8PI	186	188	173	171	0	1	3	0
O-BROMOANISOLE	7	7	0	1	0	1	0	0	186	1.502	1.5737	223	2	216	8600	275	2470	283	2260	1	S22037	A2	F1-1040A	A1-836A	8PI	186	188	143	145	0	1	3	0
M-BROMOANISOLE	7	7	0	1	0	1	0	0	186	1.477	1.5635	211	999	220	8000	275	2240	283	2040	1	S19834	A2	F1-1042A	A1-836A	REG	186	188	77	63	0	1	3	0
P-BROMOBENZYL_ALCOHOL	7	7	0	1	0	1	0	0	186	0.000	0.0000	999	76	220	15600	266	550	275	388	1	S26436	A2	F1-1135A	A1-938D	REG	77	79	107	186	0	1	3	1
M-BROMOBENZYL_ALCOHOL	7	7	0	1	0	1	0	0	186	1.560	1.5847	999	999	267	525	274	430	0	0	1	S26462	A2	F1-1130D	A1-935A	REG	77	79	107	186	0	1	3	1
O-BROMOBENZYL_ALCOHOL	7	7	0	1	0	1	0	0	186	0.000	0.0000	999	81	262	402	0	0	0	0	1	S26407	A2	F1-1127D	A1-932C	""	0	0	0	0	0	1	3	1
METHYL_P-TOLUENESULFONATE	8	10	0	3	0	0	0	1	186	0.000	0.0000	999	79	225	12000	261	600	267	560	1	S-451	A2	F2-513D	A2-833A	8PI	91	186	155	77	0	1	3	0
DIETHYL_ETHYLIDENEMALONATE	9	14	0	4	0	0	0	0	186	1.019	1.4400	999	999	207	9310	0	0	0	0	1	S22132	A2	F1-645C	S-21280	HB	126	127	59	68	1	0	3	0
4,4'-DIHYDROXYBIPHENYL	12	10	0	2	0	0	0	0	186	0.000	0.0000	999	278	261	18400	0	0	0	0	1	S28704	A2	F1-1116C	A1-907C	8PI	186	187	170	93	0	1	2	1
2,2'-DIHYDROXYBIPHENYL	12	10	0	2	0	0	0	0	186	0.000	0.0000	315	109	242	10000	285	6000	0	0	4	L-3	A2	F1-1073A	A1-907A	8PI	186	157	158	131	0	1	2	1
PHENYL_SULFIDE	12	10	0	0	0	0	0	1	186	1.118	1.6327	296	-40	230	6360	249	11400	273	5350	1	S-121	A2	F1-1183A	A1-973C	8PI	186	185	51	77	0	1	2	0
1-DODECANOL	12	26	0	1	0	0	0	0	186	0.833	1.4428	260	24	0	0	0	0	0	0	0	""	A1	F1-112A	A1-103D	8PI	43	41	55	69	0	0	1	1
2-DODECANOL	12	26	0	1	0	0	0	0	186	0.829	1.4400	252	19	0	0	0	0	0	0	0	""	A1	""	""	8PI	45	43	55	57	0	0	1	1
2-CHLORO-6-NITROANISOLE	7	6	1	3	1	0	0	0	187	0.000	0.0000	0	58	213	18000	251	5180	0	0	1	S27129	A2	F1-1347A	A1-1149D	""	0	0	0	0	0	1	3	0
5-CHLORO-2-NITROANISOLE	7	6	1	3	1	0	0	0	187	0.000	0.0000	0	71	213	15000	263	4700	319	3250	1	S-6143	A2	F1-1359B	A1-1162C	8PI	63	30	140	75	0	1	3	0
4-CHLORO-3-NITROANISOLE	7	6	1	3	1	0	0	0	187	0.000	0.0000	999	44	224	17000	330	1750	0	0	7	S-5409	A2	F1-1359A	A1-1162B	REG	63	126	187	77	0	1	3	0
3,4-DICHLOROACETOPHENONE	8	6	0	1	2	0	0	0	188	0.000	0.0000	999	73	211	25100	250	13800	287	1200	1	S11356	A2	F2-29D	A2-32C	8PI	173	175	188	145	1	1	3	0
2,5-DICHLOROACETOPHENONE	8	6	0	1	2	0	0	0	188	1.312	1.5624	999	12	215	23700	292	885	0	0	1	S23238	A2	F2-30C	A2-33A	8PI	173	175	43	145	1	1	3	0
2,4-DICHLOROACETOPHENONE	8	6	0	1	2	0	0	0	188	0.000	1.5635	999	34	246	8080	281	732	0	0	1	S11355	A2	F2-29B	A2-32B	8PI	173	175	43	145	1	1	3	0
DIETHYL_DIMETHYLMALONATE	9	16	0	4	0	0	0	0	188	0.991	1.4124	192	999	0	0	0	0	0	0	0	""	A2	F1-616A	S-7892	8PI	29	88	87	116	1	0	1	0
DIETHYL_GLUTARATE	9	16	0	4	0	0	0	0	188	1.022	1.4240	237	999	0	0	0	0	0	0	0	""	A2	F1-617D	A1-522B	8PI	29	143	114	87	1	0	1	0
DIETHYL_ETHYLMALONATE	9	16	0	4	0	0	0	0	188	1.004	1.4158	999	999	0	0	0	0	0	0	0	""	A2	F1-615A	S-6792	8PI	29	27	43	73	1	0	1	0
DIMETHYL_DIETHYLMALONATE	9	16	0	4	0	0	0	0	188	1.040	1.4275	999	999	0	0	0	0	0	0	0	""	A2	S-8204	A1-520B	""	59	129	160	69	1	0	1	0
O-BROMOCHLOROBENZENE	6	4	0	0	1	1	0	0	190	1.638	1.5809	204	999	262	191	270	241	278	191	1	S-6684	A2	F1-977A	A1-779C	8PI	192	190	111	75	0	1	2	0
M-BROMOCHLOROBENZENE	6	4	0	0	1	1	0	0	190	1.630	1.5771	196	999	257	179	271	398	279	293	1	S21987	A2	F1-983D	A1-786D	8PI	192	111	190	75	0	1	2	0
P-BROMOCHLOROBENZENE	6	4	0	0	1	1	0	0	190	0.000	0.0000	196	67	224	12600	272	348	281	251	1	S15824	A2	F1-988D	S-3251	8PI	192	111	190	75	0	1	2	0
3,5-DICHLOROBENZOIC_ACID	7	4	0	2	2	0	0	0	190	0.000	0.0000	0	186	0	0	0	0	0	0	0	""	A2	F2-226C	A2-223B	8PI	190	173	74	75	1	1	2	1
2,5-DICHLOROBENZOIC_ACID	7	4	0	2	2	0	0	0	190	0.000	0.0000	999	156	226	10300	289	1012	0	0	1	S-2972	A2	F2-210D	A2-206C	REG	173	190	175	192	1	1	2	1
2,4-DICHLOROBENZOIC_ACID	7	4	0	2	2	0	0	0	190	0.000	0.0000	999	159	236	8930	279	675	287	508	1	S-200	A2	F2-209D	A2-206A	""	173	175	190	74	1	1	2	1
2,6-DICHLOROBENZOIC_ACID	7	4	0	2	2	0	0	0	190	0.000	0.0000	999	144	0	0	0	0	0	0	0	""	A2	F2-204B	A2-200D	REG	173	190	175	192	1	1	2	1
3,4-DICHLOROBENZOIC_ACID	7	4	0	2	2	0	0	0	190	0.000	0.0000	999	208	238	12500	281	820	290	728	1	S-199	A2	F2-210B	A2-206B	8PI	173	190	175	192	1	1	2	1
P-TOLUENESULFONYL_CHLORIDE	7	7	0	2	1	0	0	1	190	0.000	0.0000	999	69	0	0	0	0	0	0	0	""	A2	F2-520B	A2-839C	8PI	91	155	65	190	0	1	3	0
1-CHLOROUNDECANE	11	23	0	0	1	0	0	0	190	0.869	1.4408	242	-17	0	0	0	0	0	0	0	""	M3	S-33942	S-2828	""	0	0	0	0	0	0	1	0
OCTYLBENZENE	14	22	0	0	0	0	0	0	190	0.856	1.4845	264	-36	0	0	0	0	0	0	0	""	A1	F1-934A	A1-735A	8PI	92	91	190	57	0	1	3	0
P-DI-TERT-BUTYLBENZENE	14	22	0	0	0	0	0	0	190	0.000	0.0000	236	74	212	8960	217	8760	262	353	1	S16031	A2	F1-940C	A1-743C	8PI	175	41	190	57	0	1	3	0
2,4-DICHLORONITROBENZENE	6	3	1	2	2	0	0	0	191	0.000	0.0000	258	31	260	4800	0	0	0	0	1	S-5521	A2	F1-1356A	A1-1159C	8PI	161	163	90	63	0	1	2	0
2,3-DICHLORONITROBENZENE	6	3	1	2	2	0	0	0	191	1.449	0.0000	258	62	0	0	0	0	0	0	0	""	A2	F1-1346B	A1-1150A	8PI	145	191	109	147	0	1	2	0
3,4-DICHLORONITROBENZENE	6	3	1	2	2	0	0	0	191	0.000	0.0000	256	41	225	6130	287	11400	0	0	1	S-1114	A2	F1-1355C	A1-1159B	8PI	109	74	145	75	0	1	2	0
2,5-DICHLORONITROBENZENE	6	3	1	2	2	0	0	0	191	0.000	0.0000	268	56	220	18200	303	1170	0	0	1	S-1115	A2	S-388	A1-1159D	8PI	109	133	74	145	0	1	2	0
1-BROMOOCTANE	8	17	0	0	0	1	0	0	192	1.112	1.4524	201	-55	0	0	0	0	0	0	0	""	M3	F1-60A	A1-63C	8PI	135	137	43	57	0	0	1	0
2-BROMOOCTANE	8	17	0	0	0	1	0	0	192	1.093	1.4490	999	999	0	0	0	0	0	0	0	""	B	S-29732	S-227	8PI	57	71	43	113	0	0	1	0
ETHYL_BENZOYLACETATE	11	12	0	3	0	0	0	0	192	1.110	1.5310	270	999	244	10300	283	2980	0	0	1	S21920	A2	F2-289C	A2-278A	8PI	105	77	146	192	1	1	3	0
ISOBUTYL_PHENYLACETATE	12	16	0	2	0	0	0	0	192	0.990	1.4890	999	999	252	160	257	195	263	145	1	S-3579	B	S-8186	S-3156	8PI	91	57	136	92	1	1	3	0
ISOPENTYL_BENZOATE	12	16	0	2	0	0	0	0	192	0.987	1.4949	260	999	228	12400	272	932	280	770	1	S-524	B	S-283	S-9281	8PI	105	70	77	123	1	1	3	0
2,4-DICHLOROBENZYL_CHLORIDE	7	5	0	0	3	0	0	0	194	1.407	1.5761	248	-3	0	0	0	0	0	0	0	""	M1	S-139	S-308	8PI	159	161	194	196	0	1	3	0
A,A,A-TRICHLOROTOLUENE	7	5	0	0	3	0	0	0	194	1.380	1.5580	223	-8	225	6910	257	558	261	500	1	S-380	A2	F1-994C	A1-775C	8PI	159	161	89	63	0	0	2	0
DIMETHYL_TEREPHTHALATE	10	10	0	4	0	0	0	0	194	0.000	0.0000	999	141	240	20300	285	16800	0	0	1	S-3015	A2	F2-308D	A2-297D	8PI	163	135	194	103	1	1	3	0
DIMETHYL_PHTHALATE	10	10	0	4	0	0	0	0	194	1.190	1.5150	282	2	225	8620	274	1200	0	0	1	S-378	A2	F2-307B	S-89	8PI	163	77	194	135	1	1	3	0
DIMETHYL_ISOPHTHALATE	10	10	0	4	0	0	0	0	194	0.000	0.0000	999	999	227	12400	280	911	288	900	1	S-2905	""	F2-308B	A2-298B	8PI	163	194	135	76	1	1	3	0
A,A,A,A-TETRAMETHYL-1,4-BENZENEDIMETHANO	12	18	0	2	0	0	0	0	194	0.000	0.0000	999	145	0	0	0	0	0	0	0	""	A2	F1-1134	""	HB	43	179	59	119	0	1	3	1
2-TETRADECYNE	14	26	0	0	0	0	0	0	194	0.797	1.4467	263	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-TETRADECYNE	14	26	0	0	0	0	0	0	194	0.791	1.4408	252	0	0	0	0	0	0	0	0	""	A1	S-30216	S-17684	""	0	0	0	0	0	0	3	0
3-TETRADECYNE	14	26	0	0	0	0	0	0	194	0.785	1.4405	255	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	67	41	81	55	0	0	1	0
1,1-DIPHENYL-1-PROPENE	15	14	0	0	0	0	0	0	194	1.015	1.6004	289	49	235	7400	248	8700	0	0	4	L-16	A1	""	""	REG	194	120	193	165	0	1	3	0
O-BROMOPHENYLACETONITRILE	8	6	1	0	0	1	0	0	195	1.510	1.5696	999	-1	0	0	0	0	0	0	0	""	A2	F2-430A	""	""	0	0	0	0	0	1	3	0
P-BROMOPHENYLACETONITRILE	8	6	1	0	0	1	0	0	195	0.000	0.0000	999	48	0	0	0	0	0	0	0	""	A2	F2-434C	A2-409D	8PI	116	195	197	89	0	1	3	0
ETHYL_4-NITROBENZOATE	9	9	1	4	0	0	0	0	195	0.000	0.0000	999	58	259	12200	0	0	0	0	1	S20869	A2	F2-305A	A2-289A	8PI	150	167	104	76	1	1	3	0
2,4-DINITROBENZALDEHYDE	7	4	2	5	0	0	0	0	196	0.000	0.0000	999	66	238	11200	0	0	0	0	1	S16924	A2	F2-124B	A2-121B	REG	166	196	138	167	1	1	3	0
2,6-DINITROBENZALDEHYDE	7	4	2	5	0	0	0	0	196	0.000	0.0000	999	119	226	12600	0	0	0	0	1	S16927	A2	F2-115C	A2-113C	8PI	75	92	30	119	1	1	3	0
1,1-DICHLORONONANE	9	18	0	0	2	0	0	0	196	0.982	1.4450	228	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
METHYL_3,4-DIMETHYOXYBENZOATE	10	12	0	4	0	0	0	0	196	0.000	0.0000	283	60	293	2315	0	0	0	0	1	S-797	A2	F2-299C	A2-291B	8PI	196	165	28	79	1	1	3	0
METHYL_3,5-DIMETHOXYBENZOATE	10	12	0	4	0	0	0	0	196	0.000	0.0000	298	43	208	36260	248	8600	306	3038	1	S-6639	A2	F2-300D	A2-294B	8PI	196	165	122	138	1	1	3	0
2,4,5-TRIMETHOXYBENZALDEHYDE	10	12	0	4	0	0	0	0	196	0.000	0.0000	999	114	232	16100	271	11900	337	9610	1	S37093	A2	F2-128B	A2-126B	8PI	196	181	125	150	1	1	3	0
2,4,6-TRIMETHOXYBENZALDEHYDE	10	12	0	4	0	0	0	0	196	0.000	0.0000	999	120	208	16500	227	15800	287	19100	1	S23724	A2	F2-125B	A2-122C	""	0	0	0	0	1	1	3	0
2,3,4-TRIMETHOXYBENZALDEHYDE	10	12	0	4	0	0	0	0	196	0.000	1.5547	999	40	231	16500	281	14600	0	0	1	S18604	A2	F2-129B	A2-127C	8PI	196	29	39	95	1	1	3	0
3,4,5-TRIMETHOXYBENZALDEHYDE	10	12	0	4	0	0	0	0	196	0.000	0.0000	999	75	216	22540	286	9600	0	0	1	S-6955	A2	F2-125C	A2-123A	8PI	196	181	125	110	1	1	3	0
NONYLCYCLOPENTANE	14	28	0	0	0	0	0	0	196	0.808	1.4467	262	-29	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
OCTYLCYCLOHEXANE	14	28	0	0	0	0	0	0	196	0.814	1.4504	264	-20	0	0	0	0	0	0	0	""	A1	S-67447	S-40353	8PI	83	82	55	41	0	0	1	0
CYCLOTETRADECANE	14	28	0	0	0	0	0	0	196	0.861	1.4760	271	54	0	0	0	0	0	0	0	""	A1	""	""	8PI	55	83	69	41	0	0	1	0
2-METHYL-1-TRIDECENE	14	28	0	0	0	0	0	0	196	0.774	1.4383	250	-22	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
1-TETRADECENE	14	28	0	0	0	0	0	0	196	0.771	1.4363	251	-13	0	0	0	0	0	0	0	""	A1	F1-15C	A1-22B	8PI	41	43	55	57	0	0	3	0
2,2'-DIMETHYLDIPHENYLMETHANE	15	16	0	0	0	0	0	0	196	1.000	1.5760	297	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	104	196	181	165	0	1	3	0
2-ETHYLDIPHENYLMETHANE	15	16	0	0	0	0	0	0	196	0.992	1.5701	291	-11	0	0	0	0	0	0	0	""	A1	S-44765	""	""	0	0	0	0	0	1	3	0
3-ETHYLDIPHENYLMETHANE	15	16	0	0	0	0	0	0	196	0.980	1.5634	292	-9	0	0	0	0	0	0	0	""	A1	S-44766	""	""	0	0	0	0	0	1	3	0
4-ETHYLDIPHENYLMETHANE	15	16	0	0	0	0	0	0	196	0.978	1.5630	297	-24	0	0	0	0	0	0	0	""	A1	S-44767	""	""	0	0	0	0	0	1	3	0
2,2-DIPHENYLPROPANE	15	16	0	0	0	0	0	0	196	0.998	1.5703	281	29	0	0	0	0	0	0	0	""	A1	F1-936B	""	8PI	196	118	92	197	0	1	3	0
3,3'-DIMETHYLDIPHENYLMETHANE	15	16	0	0	0	0	0	0	196	0.980	1.5660	294	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	181	196	165	182	0	1	3	0
4,4'-DIMETHYLDIPHENYLMETHANE	15	16	0	0	0	0	0	0	196	0.000	0.0000	300	29	0	0	0	0	0	0	0	""	A1	""	""	8PI	181	196	165	182	0	1	3	0
1,3-DIPHENYLPROPANE	15	16	0	0	0	0	0	0	196	0.980	1.5594	299	-21	0	0	0	0	0	0	0	""	A1	S-26863	S-15603	8PI	92	91	105	196	0	1	3	0
1,2-DIPHENYLPROPANE	15	16	0	0	0	0	0	0	196	0.977	1.5585	284	0	0	0	0	0	0	0	0	""	A1	""	""	8PI	105	104	77	91	0	1	3	0
1,1-DIPHENYLPROPANE	15	16	0	0	0	0	0	0	196	0.987	1.5643	283	14	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
BENZANILIDE	13	11	1	1	0	0	0	0	197	0.000	0.0000	999	163	263	15500	0	0	0	0	1	S18277	A2	F2-375C	A2-344D	8PI	105	77	197	51	1	1	2	1
1-IODOPENTANE	5	11	0	0	0	0	1	0	198	1.516	1.4959	157	-86	0	0	0	0	0	0	0	""	M3	S-29733	A1-61C	8PI	43	71	41	29	0	0	1	0
2,4-DINITROANISOLE	7	6	2	5	0	0	0	0	198	1.340	0.0000	999	88	213	14000	252	7430	290	10900	1	S-1983	A2	F1-1371A	A1-1164C	HB	168	151	198	76	0	1	2	0
2-BROMOACETOPHENONE	8	7	0	1	0	1	0	0	198	1.476	1.5680	999	999	249	25200	0	0	0	0	1	S27186	A2	F2-23D	A2-27C	8PI	105	77	51	198	1	1	3	0
M-BROMOACETOPHENONE	8	7	0	1	0	1	0	0	198	1.505	1.5769	999	999	240	9970	287	1280	0	0	1	S22056	A2	F2-24C	S-19036	8PI	183	185	155	157	1	1	3	0
P-BROMOACETOPHENONE	8	7	0	1	0	1	0	0	198	0.000	0.0000	255	51	254	18300	0	0	0	0	1	S-1267	A2	F2-30D	A2-28A	8PI	183	185	155	157	1	1	3	0
P-BROMOCUMENE	9	11	0	0	0	1	0	0	198	1.285	1.5362	219	-22	0	0	0	0	0	0	0	""	M1	S-48234	S-9390	8PI	183	185	104	198	0	1	3	0
O-BROMOCUMENE	9	11	0	0	0	1	0	0	198	1.302	1.5408	210	-59	0	0	0	0	0	0	0	""	M1	""	""	8PI	183	185	104	198	0	1	3	0
1-BROMO-3-PHENYLPROPANE	9	11	0	0	0	1	0	0	198	1.310	1.5450	220	999	247	128	258	200	267	150	2	S-2306	A2	F1-974D	A1-776C	8PI	91	198	200	92	0	1	3	0
2-BROMOMESITYLENE	9	11	0	0	0	1	0	0	198	1.301	1.5511	225	2	268	258	0	0	0	0	2	S-1591	A2	F1-1010D	A1-810A	8PI	119	198	200	91	0	1	3	0
2-BROMO-1-PHENYLPROPANE	9	11	0	0	0	1	0	0	198	1.291	1.5439	999	999	252	640	259	580	263	440	2	S-6166	A2	F1-975A	S-13543	""	0	0	0	0	0	1	3	0
PHENYL_BENZOATE	13	10	0	2	0	0	0	0	198	0.000	0.0000	299	70	230	18200	282	1140	0	0	2	S-1171	A2	F2-292C	A2-303B	8PI	105	77	106	51	1	1	2	0
TRIDECANAL	13	26	0	1	0	0	0	0	198	0.830	1.4369	266	15	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	82	43	68	1	0	1	0
BENZYL_ETHER	14	14	0	1	0	0	0	0	198	1.043	1.5610	298	3	252	356	258	393	264	310	2	S-3530	A2	F1-1059A	A1-833D	8PI	91	92	51	77	0	1	3	0
2-METHYLTRIDECANE	14	30	0	0	0	0	0	0	198	0.760	1.4275	248	-25	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	85	0	0	1	0
3-METHYLTRIDECANE	14	30	0	0	0	0	0	0	198	0.766	1.4304	249	-38	0	0	0	0	0	0	0	""	A1	""	""	REG	57	43	71	85	0	0	1	0
2,2-DIMETHYLDODECANE	14	30	0	0	0	0	0	0	198	0.759	1.4261	240	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
TETRADECANE	14	30	0	0	0	0	0	0	198	0.763	1.4289	254	6	0	0	0	0	0	0	0	""	A1	F1-3C	A1-11B	8PI	43	57	41	71	0	0	1	0
2,3-DIMETHYLDODECANE	14	30	0	0	0	0	0	0	198	0.776	1.4356	247	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,4-DIMETHYLDODECANE	14	30	0	0	0	0	0	0	198	0.765	1.4299	234	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
PENTACHLOROETHANE	2	1	0	0	5	0	0	0	200	1.680	1.5025	162	999	0	0	0	0	0	0	0	""	A2	F1-89A	A1-86B	8PI	117	119	167	95	0	0	1	0
1,2-DIBROMOPROPANE	3	6	0	0	0	2	0	0	200	1.932	1.5201	140	-55	0	0	0	0	0	0	0	""	M3	F1-81A	A1-80D	8PI	121	123	41	39	0	0	1	0
1,3-DIBROMOPROPANE	3	6	0	0	0	2	0	0	200	1.982	1.5232	167	-34	0	0	0	0	0	0	0	""	M3	F1-73B	A1-74C	8PI	121	123	41	202	0	0	1	0
1,1-DIBROMOPROPANE	3	6	0	0	0	2	0	0	200	1.982	1.5100	134	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
P-BROMOBENZOIC_ACID	7	5	0	2	0	1	0	0	200	0.000	0.0000	999	253	241	16180	282	600	0	0	1	S-3296	A2	F2-195D	A2-193A	8PI	200	202	183	185	1	1	2	1
M-BROMOBENZOIC_ACID	7	5	0	2	0	1	0	0	200	0.000	0.0000	999	157	225	9610	281	955	288	835	1	S-8146	A2	F2-191C	A2-188D	8PI	200	202	183	185	1	1	2	1
O-BROMOBENZOIC_ACID	7	5	0	2	0	1	0	0	200	0.000	0.0000	999	149	281	940	0	0	0	0	1	S-3297	A2	F2-187C	A2-184B	8PI	200	183	202	185	1	1	2	1
P-BROMOPHENETOLE	8	9	0	1	0	1	0	0	200	1.407	1.5510	233	4	228	11200	281	1330	288	1080	1	S-607	A2	F1-1044A	A1-840A	8PI	172	174	200	202	0	1	3	0
ETHYL_P-TOLUENESULFONATE	9	12	0	3	0	0	0	1	200	1.174	1.5110	999	34	223	567	260	600	265	550	1	S-2302	A2	F2-512B	A2-831D	8PI	91	155	200	92	0	1	3	0
DIETHYL_ALLYLMALONATE	10	16	0	4	0	0	0	0	200	1.015	1.4304	222	999	0	0	0	0	0	0	0	""	A2	F1-646D	A1-545	8PI	127	109	98	81	1	0	3	0
DIISOPROPYL_FUMARATE	10	16	0	4	0	0	0	0	200	0.000	0.0000	280	2	0	0	0	0	0	0	0	""	B	S-22322	S-12080	HB	141	99	117	159	1	0	1	0
ETHYL_DECANOATE	12	24	0	2	0	0	0	0	200	0.862	1.4248	245	999	0	0	0	0	0	0	0	""	A2	F1-608A	A1-513D	8PI	88	101	73	155	1	0	1	0
1-TRIDECANOL	13	28	0	1	0	0	0	0	200	0.822	0.0000	156	34	0	0	0	0	0	0	0	""	A2	F1-112B	A1-104A	8PI	69	57	55	43	0	0	1	1
P-BROMONITROBENZENE	6	4	1	2	0	1	0	0	201	0.000	0.0000	256	126	214	6060	276	11110	0	0	1	S-505	A2	F1-1340B	A1-1143B	8PI	75	50	30	155	0	1	2	0
M-BROMONITROBENZENE	6	4	1	2	0	1	0	0	201	1.704	0.0000	256	54	209	16867	258	6969	0	0	1	S-5198	A2	F1-1335D	A1-1138B	8PI	30	50	75	155	0	1	2	0
O-BROMONITROBENZENE	6	4	1	2	0	1	0	0	201	0.000	0.0000	999	43	208	13100	252	2850	291	1210	1	S-8128	B	F1-1331A	A1-1133C	8PI	75	201	203	157	0	1	2	0
DIETHYL_ADIPATE	10	18	0	4	0	0	0	0	202	1.009	1.4266	251	-18	0	0	0	0	0	0	0	""	A2	F1-618B	A1-522	8PI	111	29	157	115	1	0	1	0
DIETHYL_PROPYLMALONATE	10	18	0	4	0	0	0	0	202	0.987	1.4185	222	999	0	0	0	0	0	0	0	""	A2	F1-615C	A1-520D	8PI	160	101	157	73	1	0	1	0
DIMETHYL_SUBERATE	10	18	0	4	0	0	0	0	202	1.014	1.4325	268	999	0	0	0	0	0	0	0	""	A2	F1-619A	A1-523C	8PI	74	69	55	43	1	0	1	0
SEBACIC_ACID	10	18	0	4	0	0	0	0	202	0.000	0.0000	999	133	0	0	0	0	0	0	0	""	A2	F1-496D	A1-432D	8PI	98	125	84	97	1	0	1	1
DIPHENYL_SULFOXIDE	12	10	0	1	0	0	0	1	202	0.000	0.0000	999	70	232	14100	273	273	0	0	1	S-5090	A2	F2-483B	A2-806A	8PI	202	109	154	51	0	1	2	0
HEXYL_SULFIDE	12	26	0	0	0	0	0	1	202	0.849	1.4587	230	999	0	0	0	0	0	0	0	""	a2	F1-267A	A1-220B	8PI	117	84	83	197	0	0	1	0
CHLORODIPHENYLMETHANE	13	11	0	0	1	0	0	0	202	1.140	1.5951	999	16	218	13000	0	0	0	0	2	S-2403	A2	F1-1023B	A1-822C	8PI	167	165	28	166	0	1	3	0
1-CHLORO-3-IODOPROPANE	3	6	0	0	1	0	1	0	204	1.904	1.5463	171	999	0	0	0	0	0	0	0	""	A2	F1-73D	A1-75A	REG	41	77	127	204	0	0	1	0
IODOBENZENE	6	5	0	0	0	0	1	0	204	1.831	1.6200	188	-31	223	10000	228	13600	258	705	3	S-824	M1	F1-971D	A1-773D	8PI	204	77	51	50	0	1	2	0
P,P'-DICYANOBIPHENYL	14	8	2	0	0	0	0	0	204	0.000	0.0000	999	237	274	45400	0	0	0	0	1	S21903	B	S-33955	S-18697	""	204	76	152	89	0	1	2	0
NONYLBENZENE	15	24	0	0	0	0	0	0	204	0.856	1.4838	282	-24	0	0	0	0	0	0	0	""	A1	F1-934B	A1-735B	8PI	119	105	91	106	0	1	3	0
1,3,5-TRIIISOPROPYLBENZENE	15	24	0	0	0	0	0	0	204	0.845	1.4884	236	999	256	198	262	235	268	186	1	S11577	A2	F1-943B	A1-746A	HB	189	43	161	204	0	1	3	0
CHLORODIBROMOMETHANE	1	1	0	0	1	2	0	0	206	2.451	1.5465	120	-22	0	0	0	0	0	0	0	""	A2	F1-83D	A1-82A	8PI	129	127	131	208	0	0	1	0
1-BROMONONANE	9	19	0	0	0	1	0	0	206	1.089	1.4542	221	-29	0	0	0	0	0	0	0	""	M3	F1-61A	A1-64B	8PI	135	137	43	55	0	0	1	0
1-BROMONAPHTHALENE	10	7	0	0	0	1	0	0	206	1.489	1.6576	280	-1	223	96900	274	7290	284	8670	1	S-606	A2	F1-1027C	A1-826C	8PI	206	208	127	126	0	1	2	0
2-BROMONAPHTHALENE	10	7	0	0	0	1	0	0	206	0.000	0.0000	282	54	227	77000	278	5200	289	3400	1	E1/13	A2	F1-1028A	A1-827A	8PI	206	208	127	63	0	1	2	0
1,4-DIPHENYL-1,3-BUTADIENE	16	14	0	0	0	0	0	0	206	0.000	0.0000	350	152	314	86000	328	99999	345	66000	2	S-1088	A2	F1-952D	A1-753B	8PI	206	91	205	128	0	1	2	0
PENTAERYTHRITYL_TETRACHLORIDE	5	8	0	0	4	0	0	0	208	0.000	0.0000	999	95	0	0	0	0	0	0	0	""	A2	F1-88C	A1-85D	""	0	0	0	0	0	0	1	0
ANTHRAQUINONE	14	8	0	2	0	0	0	0	208	0.000	0.0000	380	284	252	46150	272	14300	323	4780	1	S-508	A2	F2-82D	A2-87D	8PI	208	180	152	76	1	1	2	0
2-PENTADECYNE	15	28	0	0	0	0	0	0	208	0.800	1.4487	280	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-PENTADECYNE	15	28	0	0	0	0	0	0	208	0.795	1.4431	269	10	0	0	0	0	0	0	0	""	A1	S-30217	S-17685	""	0	0	0	0	0	0	3	0
3-PENTADECYNE	15	28	0	0	0	0	0	0	208	0.788	1.4423	271	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,1-DIPHENYL-1-BUTENE	16	16	0	0	0	0	0	0	208	0.994	1.5898	295	-1	0	0	0	0	0	0	0	""	A1	""	""	REG	208	193	115	130	0	1	3	0
BENZIL	14	10	0	2	0	0	0	0	210	0.000	0.0000	999	95	222	11000	258	19600	392	59	3	D11/25	A2	F2-58B	S-73	8PI	105	77	51	106	1	1	2	0
1,3-DIPHENYLACETONE	15	14	0	1	0	0	0	0	210	0.000	0.0000	330	33	253	767	258	802	0	0	1	S-1176	A2	F2-1D	A2-3D	8PI	91	65	119	118	1	1	3	0
DECYLCYCLOPENTANE	15	30	0	0	0	0	0	0	210	0.811	1.4486	279	-22	0	0	0	0	0	0	0	""	A1	""	""	8PI	69	68	55	83	0	0	1	0
NONYLCYCLOHEXANE	15	30	0	0	0	0	0	0	210	0.816	1.4520	282	-10	0	0	0	0	0	0	0	""	A1	S-67454	S-40360	""	0	0	0	0	0	0	1	0
CYCLOPENTADECANE	15	30	0	0	0	0	0	0	210	0.859	1.4750	286	62	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2-METHYL-1-TETRADECENE	15	30	0	0	0	0	0	0	210	0.780	1.4407	267	-15	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
1-PENTADECENE	15	30	0	0	0	0	0	0	210	0.776	1.4388	268	-4	0	0	0	0	0	0	0	""	A1	F1-15D	A1-22C	8PI	41	43	55	57	0	0	3	0
1,1-DIPHENYLBUTANE	16	18	0	0	0	0	0	0	210	0.976	1.5568	294	-25	0	0	0	0	0	0	0	""	A1	S-45510	""	""	0	0	0	0	0	1	3	0
1-IODOHEXANE	6	13	0	0	0	0	1	0	212	1.440	1.4928	181	-75	0	0	0	0	0	0	0	""	M3	S-28669	A1-62B	8PI	43	85	41	212	0	0	1	0
1-BROMO-4-TERT-BUTYLBENZENE	10	13	0	0	0	1	0	0	212	1.229	1.5321	999	16	0	0	0	0	0	0	0	""	A2	F1-994A	""	""	0	0	0	0	0	1	3	0
BENZYL_BENZOATE	14	12	0	2	0	0	0	0	212	1.112	1.5680	323	19	230	14700	272	968	280	771	1	S-427	A2	F2-292D	A2-281D	8PI	105	91	212	77	1	1	3	0
BENZOIN	14	12	0	2	0	0	0	0	212	0.000	0.0000	999	135	247	12850	316	290	0	0	1	S-736	A2	F2-37B	A2-45D	8PI	105	77	107	79	1	1	3	1
P-TOLYL_BENZOATE	14	12	0	2	0	0	0	0	212	0.000	0.0000	316	70	231	17100	271	2580	0	0	1	S-285	B	S-185	S-1187	HB	105	77	63	212	1	1	3	0
TETRADECYL_ALDEHYDE	14	28	0	1	0	0	0	0	212	0.000	0.0000	166	24	0	0	0	0	0	0	0	""	A2	F1-470B	A1-361C	8PI	57	43	41	82	1	0	1	0
2-METHYLTETRADECANE	15	32	0	0	0	0	0	0	212	0.766	1.4305	265	-8	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	41	0	0	1	0
2,2-DIMETHYLTRIDECANE	15	32	0	0	0	0	0	0	212	0.765	1.4293	257	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-METHYLTETRADECANE	15	32	0	0	0	0	0	0	212	0.772	1.4334	266	-32	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3-DIMETHYLTRIDECANE	15	32	0	0	0	0	0	0	212	0.782	1.4389	265	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
PENTADECANE	15	32	0	0	0	0	0	0	212	0.768	1.4319	271	10	0	0	0	0	0	0	0	""	A1	F1-3D	A1-11C	8PI	57	71	43	41	0	0	1	0
2,4-DIMETHYLTRIDECANE	15	32	0	0	0	0	0	0	212	0.771	1.4333	251	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
P-BROMOACETANILIDE	8	8	1	1	0	1	0	0	213	0.000	0.0000	999	166	250	20000	0	0	0	0	1	S-1271	A2	F2-357D	A2-337B	8PI	171	173	43	213	1	1	3	1
1,1-DIBROMOBUTANE	4	8	0	0	0	2	0	0	214	1.791	1.4988	158	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
1,4-DIBROMOBUTANE	4	8	0	0	0	2	0	0	214	1.789	1.5190	197	-17	0	0	0	0	0	0	0	""	M3	F1-74D	A1-75D	8PI	55	135	137	27	0	0	1	0
1,2-DIBROMOBUTANE	4	8	0	0	0	2	0	0	214	1.792	1.5150	166	-65	0	0	0	0	0	0	0	""	M3	F1-82A	V-74	8PI	55	135	137	29	0	0	1	0
1,3-DIBROMOBUTANE	4	8	0	0	0	2	0	0	214	1.800	1.5085	175	999	0	0	0	0	0	0	0	""	A2	F1-82B	A1-81B	8PI	135	137	55	216	0	0	1	0
1,2,3,4-TETRACHLOROBENZENE	6	2	0	0	4	0	0	0	214	0.000	0.0000	254	47	281	295	290	250	0	0	1	S-1672	A2	F1-1009D	A1-809A	8PI	216	214	218	179	0	1	2	0
1,2,4,5-TETRACHLOROBENZENE	6	2	0	0	4	0	0	0	214	0.000	0.0000	246	140	231	11660	279	604	295	1320	2	S-856	A2	F1-1011C	A1-810D	8PI	216	214	218	179	0	1	2	0
1,2,3,5-TETRACHLOROBENZENE	6	2	0	0	4	0	0	0	214	0.000	0.0000	246	53	0	0	0	0	0	0	0	""	A2	F1-1010B	A1-809C	8PI	216	214	218	179	0	1	2	0
BENZYL_SULFIDE	14	14	0	0	0	0	0	1	214	0.000	0.0000	999	49	260	582	266	382	0	0	1	S-5779	A2	F1-1184C	S-1898	8PI	91	123	92	122	0	1	3	0
1,2-DIPHENOXYETHANE	14	14	0	2	0	0	0	0	214	0.000	0.0000	999	95	220	18000	270	3330	277	2770	1	S15772	A2	F1-1035C	A1-834A	8PI	77	214	121	120	0	1	3	0
2-TETRADECANOL	14	30	0	1	0	0	0	0	214	0.000	0.0000	999	34	0	0	0	0	0	0	0	""	A2	F1-122A	A1-113D	8PI	45	57	43	55	0	0	1	1
1-TETRADECANOL	14	30	0	1	0	0	0	0	214	0.823	0.0000	289	40	0	0	0	0	0	0	0	""	A2	F1-112C	S-294	8PI	43	41	55	57	0	0	1	1
3-NITROBENZYL_BROMIDE	7	6	1	2	0	1	0	0	215	0.000	0.0000	999	59	214	15500	260	7070	0	0	1	S-6793	A2	F1-1334C	A1-1136D	REG	136	90	89	63	0	1	3	0
4-NITROBENZYL_BROMIDE	7	6	1	2	0	1	0	0	215	0.000	0.0000	999	99	215	7560	270	11600	0	0	1	S-2238	A2	F1-1339A	A1-1141D	8PI	215	217	192	136	0	1	3	0
2-NITROBENZYL_BROMIDE	7	6	1	2	0	1	0	0	215	0.000	0.0000	999	47	214	13900	255	4860	0	0	1	S14910	A2	F1-1329D	A1-1132A	8PI	136	215	217	137	0	1	3	0
DIETHYL_DIETHYLMALONATE	11	20	0	4	0	0	0	0	216	0.990	1.4231	230	999	0	0	0	0	0	0	0	""	A2	F1-615B	A1-520C	HB	115	69	173	188	1	0	1	0
DIETHYL_BUTYLMALONATE	11	20	0	4	0	0	0	0	216	0.983	1.4220	240	999	0	0	0	0	0	0	0	""	A2	F1-615D	A1-521A	8PI	160	171	133	101	1	0	1	0
M-CHLOROBENZOPHENONE	13	9	0	1	1	0	0	0	216	0.000	0.0000	999	82	0	0	0	0	0	0	0	""	A2	""	""	8PI	105	216	77	139	1	1	2	0
P-CHLOROBENZOPHENONE	13	9	0	1	1	0	0	0	216	0.000	0.0000	999	76	257	20100	0	0	0	0	1	S-4051	A2	F2-61B	A2-64C	8PI	105	139	77	216	1	1	2	0
O-CHLOROBENZOPHENONE	13	9	0	1	1	0	0	0	216	0.000	0.0000	330	46	0	0	0	0	0	0	0	""	A2	F2-61A	A2-64B	8PI	105	139	77	216	1	1	2	0
P-IODOTOLUENE	7	7	0	0	0	0	1	0	218	0.000	0.0000	212	43	228	16100	234	15100	256	773	1	S-3100	A2	F1-991B	S-173	8PI	218	91	65	89	0	1	3	0
M-IODOTOLUENE	7	7	0	0	0	0	1	0	218	1.698	1.6040	999	999	229	13400	260	800	269	716	2	S-827	A2	F1-985B	A1-788A	8PI	218	91	65	89	0	1	3	0
O-IODOTOLUENE	7	7	0	0	0	0	1	0	218	1.713	1.6079	211	999	228	12920	233	12920	258	787	2	S-828	A2	F1-979C	A1-781A	8PI	218	91	65	89	0	1	3	0
TRIACETIN	9	14	0	6	0	0	0	0	218	1.155	1.4305	258	3	0	0	0	0	0	0	0	""	A2	F1-620C	A1-525A	8PI	43	103	145	116	1	0	1	0
PHENYL_SULFONE	12	10	0	2	0	0	0	1	218	0.000	0.0000	379	124	0	0	0	0	0	0	0	""	A2	F2-488C	A2-813A	8PI	125	218	77	51	0	1	2	0
1-CHLORODODECANE	13	27	0	0	1	0	0	0	218	0.868	1.4433	260	-9	0	0	0	0	0	0	0	""	M3	S-10954	S-6770	8PI	91	43	57	55	0	0	1	0
DECYLBENZENE	16	26	0	0	0	0	0	0	218	0.856	1.4832	298	-14	0	0	0	0	0	0	0	""	A1	F1-934C	A1-735C	8PI	92	91	43	218	0	1	3	0
P-IODOANILINE	6	6	1	0	0	0	1	0	219	0.000	0.0000	999	63	249	17000	296	1680	0	0	1	S-6181	A2	F1-1208A	A1-1012A	8PI	219	65	92	39	0	1	2	1
O-IODOANILINE	6	6	1	0	0	0	1	0	219	0.000	0.0000	999	58	211	29700	238	7960	296	2770	1	S21988	A2	F1-1195B	A1-996A	8PI	219	65	127	92	0	1	2	1
M-IODOANILINE	6	6	1	0	0	0	1	0	219	1.821	1.6820	146	25	215	33700	243	8150	295	2210	1	S-5637	A2	F1-1199B	A1-1002D	""	0	0	0	0	0	1	2	1
1-BROMODECANE	10	21	0	0	0	1	0	0	220	1.070	1.4557	241	-29	0	0	0	0	0	0	0	""	M3	F1-61D	A1-64D	8PI	43	135	137	57	0	0	1	0
DIETHYL_PHTHALATE	12	14	0	4	0	0	0	0	222	1.118	1.5000	299	-3	224	8310	274	1270	0	0	1	S150	A2	F2-307C	A2-296D	8PI	149	177	65	76	1	1	3	0
2-HEXADECYNE	16	30	0	0	0	0	0	0	222	0.803	1.4503	296	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-HEXADECYNE	16	30	0	0	0	0	0	0	222	0.799	1.4451	285	15	0	0	0	0	0	0	0	""	A1	S-30218	S-17686	8PI	81	43	55	67	0	0	3	0
3-HEXADECYNE	16	30	0	0	0	0	0	0	222	0.792	1.4440	286	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	67	41	81	95	0	0	1	0
1-BROMO-2,6-DICHLOROBENZENE	6	3	0	0	2	1	0	0	224	0.000	0.0000	999	66	216	14200	273	232	0	0	1	S19384	A2	F1-1001A	A1-800D	REG	226	204	228	145	0	1	2	0
DIBENZOYLMETHANE	15	12	0	2	0	0	0	0	224	0.000	0.0000	999	78	224	10000	248	11700	339	26900	1	S36896	A2	F2-12B	A2-12D	8PI	224	223	105	147	1	1	3	0
CYCLOHEXADECANE	16	32	0	0	0	0	0	0	224	0.857	1.4730	300	61	0	0	0	0	0	0	0	""	A1	""	""	8PI	55	83	41	69	0	0	1	0
DECYLCYCLOHEXANE	16	32	0	0	0	0	0	0	224	0.819	1.4534	298	-2	0	0	0	0	0	0	0	""	A1	S-56252	S-29034	8PI	83	82	55	41	0	0	1	0
2-METHYL-1-PENTADECENE	16	32	0	0	0	0	0	0	224	0.784	1.4427	284	-7	0	0	0	0	0	0	0	""	A1	""	""	8PI	56	43	41	69	0	0	3	0
1-HEXADECENE	16	32	0	0	0	0	0	0	224	0.781	1.4412	285	4	0	0	0	0	0	0	0	""	A1	F1-16A	A1-22D	8PI	43	41	55	83	0	0	3	0
1,1-DIPHENYLPENTANE	17	20	0	0	0	0	0	0	224	0.966	1.5511	308	-12	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-IODOHEPTANE	7	15	0	0	0	0	1	0	226	1.379	1.4904	204	-48	0	0	0	0	0	0	0	""	M3	F1-59CXX	A1-63A	8PI	57	43	41	29	0	0	1	0
METHYL_3,4,5-TRIMETHOXYBENZOATE	11	14	0	5	0	0	0	0	226	0.000	0.0000	275	84	214	31700	264	9800	0	0	1	S-8602	A2	F2-301B	A2-295B	8PI	226	211	155	195	1	1	3	0
BIS-A-METHYLBENZYL_ETHER_(MIXTURE)	16	18	0	1	0	0	0	0	226	1.000	1.5410	999	999	0	0	0	0	0	0	0	""	B	S-24488	S-3595	8PI	105	106	121	77	0	1	3	0
2,3-DIMETHYLTETRADECANE	16	34	0	0	0	0	0	0	226	0.787	1.4417	282	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-METHYLPENTADECANE	16	34	0	0	0	0	0	0	226	0.777	1.4359	282	-22	0	0	0	0	0	0	0	""	A1	""	""	REG	57	71	43	85	0	0	1	0
HEXADECANE	16	34	0	0	0	0	0	0	226	0.773	1.4345	287	18	0	0	0	0	0	0	0	""	A1	F1-4A	S-5313	8PI	57	43	71	85	0	0	1	0
2-METHYLPENTADECANE	16	34	0	0	0	0	0	0	226	0.771	1.4332	282	-7	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	57	41	71	0	0	1	0
2,2-DIMETHYLTETRADECANE	16	34	0	0	0	0	0	0	226	0.770	1.4322	274	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,4-DIMETHYLTETRADECANE	16	34	0	0	0	0	0	0	226	0.776	1.4362	266	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,1-DIBROMOPENTANE	5	10	0	0	0	2	0	0	228	1.660	1.5010	180	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
1,2-DIBROMO-2-METHYLBUTANE	5	10	0	0	0	2	0	0	228	1.665	1.5088	173	-70	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
1,5-DIBROMOPENTANE	5	10	0	0	0	2	0	0	228	1.702	1.5126	222	-40	0	0	0	0	0	0	0	""	M3	F1-76A	A1-76D	8PI	69	41	150	148	0	0	1	0
1,1-DIBROMO-2,2-DIMETHYLPROPANE	5	10	0	0	0	2	0	0	228	1.670	1.5047	180	14	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
2,3-DIBROMO-2-METHYLBUTANE	5	10	0	0	0	2	0	0	228	1.672	1.5102	171	15	0	0	0	0	0	0	0	""	M3	""	""	REG	149	151	69	41	0	0	1	0
1,4-DIBROMOPENTANE	5	10	0	0	0	2	0	0	228	1.686	1.5078	200	-34	0	0	0	0	0	0	0	""	M3	S-42653	""	REG	69	41	39	27	0	0	1	0
2-CHLOROBENZOTRICHLORIDE	7	4	0	0	4	0	0	0	228	1.519	1.5836	264	29	0	0	0	0	0	0	0	""	M1	S-271	S-1190	8PI	193	195	197	123	0	1	2	0
1-PENTADECANOL	15	32	0	1	0	0	0	0	228	0.000	0.0000	999	46	0	0	0	0	0	0	0	""	A2	F1-112D	A1-104C	8PI	55	69	43	83	0	0	1	1
DIETHYL_SUBERATE	12	22	0	4	0	0	0	0	230	0.982	1.4323	282	999	0	0	0	0	0	0	0	""	A2	F1-619B	A1-523D	""	0	0	0	0	1	0	1	0
DIMETHYL_SEBACATE	12	22	0	4	0	0	0	0	230	0.988	0.0000	999	30	0	0	0	0	0	0	0	""	A2	F1-619C	A1-524A	8PI	55	74	98	125	1	0	1	0
BENZYL_SULFOXIDE	14	14	0	1	0	0	0	1	230	0.000	0.0000	999	134	220	20900	260	614	266	480	1	S-4667	A2	F2-484A	A2-806C	8PI	91	65	92	39	0	1	3	0
2-IODO-1,3-DIMETHYLBENZENE	8	9	0	0	0	0	1	0	232	1.650	1.6035	230	11	225	10800	0	0	0	0	1	S22074	B	S-22074	S-19066	8PI	232	105	79	77	0	1	3	0
UNDECYLBENZENE	17	28	0	0	0	0	0	0	232	0.852	1.4828	313	-5	0	0	0	0	0	0	0	""	A1	S-9062	S-3898	8PI	92	91	105	232	0	1	3	0
O-DIBROMOBENZENE	6	4	0	0	0	2	0	0	234	1.984	1.6155	225	7	270	255	278	183	0	0	1	S20897	M1	F1-976D	A1-780A	8PI	236	234	238	155	0	1	2	0
P-DIBROMOBENZENE	6	4	0	0	0	2	0	0	234	1.841	0.0000	219	88	227	15230	265	354	281	360	1	S-625	A2	F1-988C	A1-793C	8PI	236	234	238	155	0	1	2	0
M-DIBROMOBENZENE	6	4	0	0	0	2	0	0	234	1.952	1.6053	218	-7	258	209	272	375	279	285	1	S21889	A2	F1-984B	A1-787A	8PI	236	234	238	155	0	1	2	0
P-IODOANISOLE	7	7	0	1	0	0	1	0	234	0.000	0.0000	237	50	233	18500	280	1450	0	0	1	S-7778	A2	F1-1044D	A1-840C	8PI	234	63	64	92	0	1	3	0
M-IODOANISOLE	7	7	0	1	0	0	1	0	234	1.965	1.6118	245	999	277	2510	285	2350	0	0	1	S-6696	A2	F1-1042B	A1-838B	HB	234	77	92	107	0	1	3	0
O-IODOANISOLE	7	7	0	1	0	0	1	0	234	1.799	1.6217	999	999	230	9130	277	2860	285	2660	1	S21947	A2	F1-1040B	S-17150	HB	234	92	219	77	0	1	3	0
2-CHLOROETHYL-P-TOLUENESULFONATE	9	11	0	3	1	0	0	1	234	1.294	1.5290	999	999	225	12600	262	645	273	547	1	S13694	A2	F2-512C	A2-832A	REG	171	234	107	77	0	1	3	0
1-BROMOUNDECANE	11	23	0	0	0	1	0	0	234	1.054	1.4571	259	-10	0	0	0	0	0	0	0	""	M3	S-24344	S-11676	8PI	135	137	43	57	0	0	1	0
DIETHYL_PHENYLMALONATE	13	16	0	4	0	0	0	0	236	1.095	1.4913	999	16	252	190	258	222	265	180	2	S-2034	A2	F2-280B	S-3211	HB	91	118	163	135	1	1	3	0
1-HEPTADECYNE	17	32	0	0	0	0	0	0	236	0.819	1.4469	300	22	0	0	0	0	0	0	0	""	A1	S-30219	S-17687	""	0	0	0	0	0	0	3	0
2-HEPTADECYNE	17	32	0	0	0	0	0	0	236	0.806	1.4518	311	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-HEPTADECYNE	17	32	0	0	0	0	0	0	236	0.795	1.4455	300	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
P-CHLOROIODOBENZENE	6	4	0	0	1	0	1	0	238	0.000	0.0000	227	54	236	17400	0	0	0	0	1	S10886	A2	F1-990A	A1-794A	8PI	238	111	240	75	0	1	2	0
M-CHLOROIODOBENZENE	6	4	0	0	1	0	1	0	238	1.926	1.6310	999	999	0	0	0	0	0	0	0	""	A2	F1-984A	A1-786A	8PI	238	111	240	75	0	1	2	0
O-CHLOROIODOBENZENE	6	4	0	0	1	0	1	0	238	1.952	1.6334	235	1	224	8840	276	2970	0	0	1	S-825	A2	F1-977B	A1-779D	8PI	238	111	240	75	0	1	2	0
2-METHYL-1-HEXADECENE	17	34	0	0	0	0	0	0	238	0.788	1.4448	300	2	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	75	0	0	3	0
1-HEPTADECENE	17	34	0	0	0	0	0	0	238	0.785	1.4431	300	11	0	0	0	0	0	0	0	""	A1	A-11H	S-40004	8PI	41	43	55	83	0	0	3	0
1,1-DIPHENYLHEXANE	18	22	0	0	0	0	0	0	238	0.956	1.5450	321	-12	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	1	3	0
1-IODOOCTANE	8	17	0	0	0	0	1	0	240	1.330	1.4885	225	-44	0	0	0	0	0	0	0	""	M3	F1-60B	A1-63D	8PI	57	71	43	41	0	0	1	0
2-IODOOCTANE	8	17	0	0	0	0	1	0	240	1.325	1.4896	999	999	0	0	0	0	0	0	0	""	B	HB	""	8PI	57	43	71	113	0	0	1	0
2,2-DIMETHYLPENTADECANE	17	36	0	0	0	0	0	0	240	0.775	1.4346	290	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3-DIMETHYLPENTADECANE	17	36	0	0	0	0	0	0	240	0.791	1.4439	298	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2-METHYLHEXADECANE	17	36	0	0	0	0	0	0	240	0.775	1.4355	297	4	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	85	0	0	1	0
HEPTADECANE	17	36	0	0	0	0	0	0	240	0.778	1.4368	302	22	0	0	0	0	0	0	0	""	A1	F1-4B	A1-11D	8PI	57	43	71	41	0	0	1	0
3-METHYLHEXADECANE	17	36	0	0	0	0	0	0	240	0.781	1.4382	298	-15	0	0	0	0	0	0	0	""	A1	""	""	REG	57	71	43	85	0	0	1	0
2,4-DIMETHYLPENTADECANE	17	36	0	0	0	0	0	0	240	0.781	1.4386	281	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1,1-DIBROMOHEXANE	6	12	0	0	0	2	0	0	242	1.565	1.4950	202	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
1,6-DIBROMOHEXANE	6	12	0	0	0	2	0	0	242	1.586	1.5066	243	999	0	0	0	0	0	0	0	""	A2	F1-77A	A1-77D	REG	55	41	83	27	0	0	1	0
1-HEXADECANOL	16	34	0	1	0	0	0	0	242	0.000	0.0000	181	56	0	0	0	0	0	0	0	""	A2	F1-113A	S-2400	8PI	43	41	57	55	0	0	1	1
2-HEXADECANOL	16	34	0	1	0	0	0	0	242	0.000	0.0000	999	47	0	0	0	0	0	0	0	""	A2	F1-122B	A1-114B	8PI	45	43	57	55	0	0	1	1
P-DICYCLOHEXYLBENZENE	18	26	0	0	0	0	0	0	242	0.000	0.0000	999	104	219	11100	263	451	272	467	1	S-2197	A2	F1-941A	A1-738B	8PI	117	55	91	83	0	1	3	0
TRIPHENYLMETHANE	19	16	0	0	0	0	0	0	244	1.014	0.0000	359	94	256	650	262	770	270	550	2	S-2945	A2	F1-936C	A1-739D	8PI	244	167	165	166	0	1	3	0
BROMODIPHENYLMETHANE	13	11	0	0	0	1	0	0	246	0.000	0.0000	999	41	218	9880	253	600	258	634	1	S-528	A2	F1-1023C	A1-822D	REG	167	165	152	166	0	1	3	0
DIALLYL_PHTHALATE	14	14	0	4	0	0	0	0	246	1.120	1.5196	999	999	225	8500	275	1270	281	1160	1	S-527	B	S-15173	S-6707	8PI	41	149	189	132	1	1	3	0
DODECYLBENZENE	18	30	0	0	0	0	0	0	246	0.855	1.4824	328	3	0	0	0	0	0	0	0	""	A1	F1-934D	A1-736A	8PI	92	91	43	41	0	1	3	0
1,3,5-TRI-TERT-BUTYLBENZENE	18	30	0	0	0	0	0	0	246	0.000	0.0000	122	71	212	10100	261	192	268	147	1	S-3269	A2	F1-943C	A1-746B	8PI	231	57	29	41	0	1	3	0
1,2,4,5-TETRAISOPROPYLBENZENE	18	30	0	0	0	0	0	0	246	0.000	0.0000	999	119	216	13100	268	631	277	687	1	S11576	B	S-1639	S-1523	8PI	231	43	246	232	0	1	3	0
2,5-DIBROMOTOLUENE	7	6	0	0	0	2	0	0	248	1.815	1.6020	999	5	228	970	267	363	274	458	2	S23201	A2	F1-1007A	S-18915	8PI	89	63	90	250	0	1	3	0
A,A-DIBROMOTOLUENE	7	6	0	0	0	2	0	0	248	1.510	1.6147	999	999	226	15600	0	0	0	0	1	S28916	A2	F1-973C	A1-775A	""	0	0	0	0	0	1	3	0
1-BROMODODECANE	12	25	0	0	0	1	0	0	248	1.040	1.4583	276	-10	0	0	0	0	0	0	0	""	M3	F1-62C	A1-65C	8PI	57	43	135	137	0	0	1	0
2-BROMODODECANE	12	25	0	0	0	1	0	0	248	1.020	1.4555	999	-96	0	0	0	0	0	0	0	""	A2	F1-70B	A1-72A	""	0	0	0	0	0	0	1	0
DIETHYL_BENZALMALONATE	14	16	0	4	0	0	0	0	248	1.107	1.5365	999	999	236	10200	241	10300	0	0	1	S24516	A2	F2-280D	S-6149	8PI	102	203	158	130	1	1	3	0
1-IODO-4-NITROBENZENE	6	4	1	2	0	0	1	0	249	0.000	0.0000	999	173	230	10830	260	4230	0	0	1	S-1919	A2	F1-1340C	A1-1143C	8PI	249	76	203	219	0	1	2	0
1-IODO-3-NITROBENZENE	6	4	1	2	0	0	1	0	249	0.000	0.0000	280	38	210	8960	231	15400	258	6400	1	S20790	A2	F1-1336A	A1-1138C	8PI	249	203	76	50	0	1	2	0
1-IODO-2-NITROBENZENE	6	4	1	2	0	0	1	0	249	0.000	0.0000	289	51	227	11400	303	1750	0	0	1	S-8140	A2	F1-1331B	A1-1133D	8PI	249	203	76	50	0	1	2	0
BROMOFORM	1	1	0	0	0	3	0	0	250	2.894	1.5960	151	8	224	2150	0	0	0	0	3	A_I/2	A2	F1-83B	S-6375	8PI	173	171	175	93	0	0	1	0
DIETHYL_BENZYLMALONATE	14	18	0	4	0	0	0	0	250	1.064	1.4868	999	999	0	0	0	0	0	0	0	""	A2	F2-280C	A2-278D	8PI	131	91	176	159	1	1	3	0
1-OCTADECYNE	18	34	0	0	0	0	0	0	250	0.805	1.4485	315	27	0	0	0	0	0	0	0	""	A1	S-30220	S-17688	""	0	0	0	0	0	0	3	0
2-OCTADECYNE	18	34	0	0	0	0	0	0	250	0.809	1.4531	325	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-OCTADECYNE	18	34	0	0	0	0	0	0	250	0.798	1.4469	314	2	0	0	0	0	0	0	0	""	A1	""	""	8PI	67	41	81	82	0	0	1	0
2-METHYL-1-HEPTADECENE	18	36	0	0	0	0	0	0	252	0.791	1.4465	315	9	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
1-OCTADECENE	18	36	0	0	0	0	0	0	252	0.789	1.4449	315	18	0	0	0	0	0	0	0	""	A1	F1-16B	A1-23A	8PI	41	43	55	83	0	0	3	0
1-IODONONANE	9	19	0	0	0	0	1	0	254	1.289	1.4870	245	-20	0	0	0	0	0	0	0	""	M3	S-28211	S-14640	8PI	43	57	71	41	0	0	1	0
OCTADECANE	18	38	0	0	0	0	0	0	254	0.782	1.4389	317	28	0	0	0	0	0	0	0	""	A1	F1-4C	A1-12A	8PI	57	43	71	85	0	0	1	0
3-METHYLHEPTADECANE	18	38	0	0	0	0	0	0	254	0.785	1.4402	313	-6	0	0	0	0	0	0	0	""	A1	""	""	REG	57	71	85	43	0	0	1	0
2,2-DIMETHYLHEXADECANE	18	38	0	0	0	0	0	0	254	0.779	1.4369	305	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	5	0	0	1	0
2-METHYLHEPTADECANE	18	38	0	0	0	0	0	0	254	0.780	1.4377	312	6	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	57	41	71	0	0	1	0
2,3-DIMETHYLHEXADECANE	18	38	0	0	0	0	0	0	254	0.795	1.4462	313	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,4-DIMETHYLHEXADECANE	18	38	0	0	0	0	0	0	254	0.785	1.4409	295	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-HEPTADECANOL	17	36	0	1	0	0	0	0	256	0.000	0.0000	999	58	0	0	0	0	0	0	0	""	A2	S-21704	A1-105A	8PI	43	55	41	57	0	0	1	1
DIETHYL_SEBACATE	14	26	0	4	0	0	0	0	258	0.963	1.4358	312	2	0	0	0	0	0	0	0	""	A2	F1-619D	A1-524B	8PI	125	55	97	88	1	0	1	0
BIS-2-PHENOXYETHYL_ETHER	16	18	0	3	0	0	0	0	258	0.000	0.0000	999	66	0	0	0	0	0	0	0	""	B	S-60076	S-32831	HB	77	121	258	165	0	1	4	0
P-BROMOBENZOPHENONE	13	9	0	1	0	1	0	0	260	0.000	0.0000	350	82	261	20880	0	0	0	0	1	S-5197	A2	F2-61C	A2-64D	8PI	105	183	185	260	1	1	2	0
TRIPHENYLMETHANOL	19	16	0	1	0	0	0	0	260	0.000	0.0000	360	163	253	2910	258	3330	264	2510	1	S=1749	A2	F1-1125D	A1-929A	8PI	183	105	77	260	0	1	2	1
TRIDECYLBENZENE	19	32	0	0	0	0	0	0	260	0.856	1.4821	341	10	0	0	0	0	0	0	0	""	A1	S-7881	S-3803	8PI	92	91	260	105	0	1	3	0
1,1,2-TRIBROMOETHANE	2	3	0	0	0	3	0	0	264	2.621	1.5933	189	-29	0	0	0	0	0	0	0	""	M3	S-28675	S-1883	8PI	187	185	105	107	0	0	1	0
1-NONADECYNE	19	36	0	0	0	0	0	0	264	0.808	1.4500	329	33	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
2-NONADECYNE	19	36	0	0	0	0	0	0	264	0.811	1.4542	339	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-NONADECYNE	19	36	0	0	0	0	0	0	264	0.800	1.4482	327	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-NONADECENE	19	38	0	0	0	0	0	0	266	0.792	1.4465	329	23	0	0	0	0	0	0	0	""	A1	S-67418	S-40326	8PI	43	41	55	57	0	0	3	0
2-METHYL-1-OCTADECENE	19	38	0	0	0	0	0	0	266	0.794	1.4480	329	14	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
DIIODOMETHANE	1	2	0	0	0	0	2	0	268	3.335	1.7410	182	6	0	0	0	0	0	0	0	""	M3	F1-71D	A1-73A	REG	268	141	127	254	0	0	1	0
1-IODODECANE	10	21	0	0	0	0	1	0	268	1.255	1.4858	264	-16	0	0	0	0	0	0	0	""	M3	S-10571	A1-65A	8PI	43	57	71	85	0	0	1	0
2,3-DIMETHYLHEPTADECANE	19	40	0	0	0	0	0	0	268	0.798	1.4479	327	999	0	0	0	0	0	0	0	""	A1	""	""	REG	43	57	71	85	0	0	1	0
2,2-DIMETHYLHEPTADECANE	19	40	0	0	0	0	0	0	268	0.783	1.4390	319	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
3-METHYLOCTADECANE	19	40	0	0	0	0	0	0	268	0.788	1.4420	327	1	0	0	0	0	0	0	0	""	A1	""	""	REG	57	71	85	43	0	0	1	0
2-METHYLOCTADECANE	19	40	0	0	0	0	0	0	268	0.783	1.4396	326	15	0	0	0	0	0	0	0	""	A1	""	""	8PI	57	43	71	85	0	0	1	0
NONADECANE	19	40	0	0	0	0	0	0	268	0.785	1.4408	331	32	0	0	0	0	0	0	0	""	A1	F1-4D	S-5311	8PI	57	71	43	85	0	0	1	0
2,4-DIMETHYLHEPTADECANE	19	40	0	0	0	0	0	0	268	0.789	1.4429	308	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
1-OCTADECANOL	18	38	0	1	0	0	0	0	270	0.000	0.0000	999	61	0	0	0	0	0	0	0	""	A2	F1-113C	A1-105B	8PI	43	41	55	57	0	0	1	1
TETRADECYLBENZENE	20	34	0	0	0	0	0	0	274	0.855	1.4818	354	16	252	237	260	260	267	194	1	S24262	A1	S-31405	S-2817	8PI	92	91	274	43	0	1	3	0
1,2,3-TRIBROMOPROPANE	3	5	0	0	0	3	0	0	278	2.421	1.5862	222	16	0	0	0	0	0	0	0	""	M3	S-18065	S-231	REG	39	401	199	119	0	0	1	0
DIBUTYL_PHTHALATE	16	22	0	4	0	0	0	0	278	1.043	1.4910	340	-35	224	7960	274	1230	0	0	1	S-529	A2	F2-307D	S-721	8PI	149	150	41	223	1	1	3	0
1-EICOSYNE	20	38	0	0	0	0	0	0	278	0.810	1.4513	342	36	0	0	0	0	0	0	0	""	A1	""	""	8PI	43	82	96	81	0	0	3	0
2-EICOSYNE	20	38	0	0	0	0	0	0	278	0.813	1.4553	352	999	0	0	0	0	0	0	0	""	A1	""	""	REG	95	96	81	68	0	0	1	0
3-EICOSYNE	20	38	0	0	0	0	0	0	278	0.802	1.4494	339	999	0	0	0	0	0	0	0	""	A1	""	""	8PI	67	43	41	82	0	0	1	0
2-IODOBIPHENYL	12	9	0	0	0	0	1	0	280	1.570	1.6620	999	999	0	0	0	0	0	0	0	""	B	HB	""	8PI	280	152	153	151	0	1	2	0
1-EICOSENE	20	40	0	0	0	0	0	0	280	0.795	1.4480	342	29	0	0	0	0	0	0	0	""	A1	S-28478	S-14664	8PI	43	41	55	57	0	0	3	0
2-METHYL-1-NONADECENE	20	40	0	0	0	0	0	0	280	0.797	1.4494	342	20	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	3	0
1,2-DIIODOETHANE	2	4	0	0	0	0	2	0	282	3.325	0.0000	200	81	0	0	0	0	0	0	0	""	M3	F1-72D	A1-74A	""	0	0	0	0	0	0	1	0
O-BROMOIODOBENZENE	6	4	0	0	0	1	1	0	282	2.203	1.6607	999	10	234	11600	239	12100	263	667	2	S-1590	A2	F1-978A	""	8PI	282	284	155	157	0	1	2	0
P-BROMOIODOBENZENE	6	4	0	0	0	1	1	0	282	0.000	0.0000	999	91	238	18700	0	0	0	0	1	S-1764	A2	F1-990B	A1-794B	8PI	282	284	155	157	0	1	2	0
M-BROMOIODOBENZENE	6	4	0	0	0	1	1	0	282	2.219	1.6604	999	-9	0	0	0	0	0	0	0	""	A2	HB	S-19894	8PI	282	284	155	157	0	1	2	0
1-IODOUNDECANE	11	23	0	0	0	0	1	0	282	1.225	1.4848	282	2	0	0	0	0	0	0	0	""	M3	S-8125	S-363	8PI	57	43	71	85	0	0	1	0
BIS-2-METHOXYETHYL_PHTHALATE	14	18	0	6	0	0	0	0	282	1.170	1.5025	340	999	226	8240	274	1260	281	1100	1	S-11	B	S-14	S-1120	8PI	149	150	41	76	1	1	3	0
3-METHYLNONADECANE	20	42	0	0	0	0	0	0	282	0.791	1.4437	340	8	0	0	0	0	0	0	0	""	A1	""	""	REG	57	71	43	85	0	0	1	0
2,2-DIMETHYLOCTADECANE	20	42	0	0	0	0	0	0	282	0.786	1.4408	333	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
EICOSANE	20	42	0	0	0	0	0	0	282	0.789	1.4425	344	36	0	0	0	0	0	0	0	""	A1	F1-5A	A1-12B	8PI	43	57	71	41	0	0	1	0
2-METHYLNONADECANE	20	42	0	0	0	0	0	0	282	0.787	1.4414	339	18	0	0	0	0	0	0	0	""	A1	""	""	REG	43	57	71	85	0	0	1	0
2,4-DIMETHYLOCTADECANE	20	42	0	0	0	0	0	0	282	0.792	1.4446	321	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
2,3-DIMETHYLOCTADECANE	20	42	0	0	0	0	0	0	282	0.801	1.4495	341	999	0	0	0	0	0	0	0	""	A1	""	""	""	0	0	0	0	0	0	1	0
DIBENZYL_MALONATE	17	16	0	4	0	0	0	0	284	1.137	1.5447	999	999	218	5150	252	345	258	379	1	S31574	A2	F2-281B	A1-279C	8PI	91	0	0	0	1	1	3	0
1,2,3-TRIBROMOBUTANE	4	7	0	0	0	3	0	0	292	2.190	1.5680	220	-19	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
1,2,4-TRIBROMOBUTANE	4	7	0	0	0	3	0	0	292	2.170	1.5608	215	-18	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
2,3,3-TRIBROMOBUTANE	4	7	0	0	0	3	0	0	292	2.172	1.5600	206	2	0	0	0	0	0	0	0	""	M3	S-15952	S-2761	""	0	0	0	0	0	0	1	0
1,3-DIBROMO-2-(BROMOMETHYL)-PROPANE	4	7	0	0	0	3	0	0	292	2.140	1.5512	320	-32	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
1,2,3-TRIBROMO-2-METHYLPROPANE	4	7	0	0	0	3	0	0	292	2.190	1.5656	999	999	0	0	0	0	0	0	0	""	B	HB	""	""	215	53	133	135	0	0	1	0
2,2-DIIODOPROPANE	3	6	0	0	0	0	2	0	296	2.576	1.6510	173	999	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
1,3-DIIODOPROPANE	3	6	0	0	0	0	2	0	296	2.576	1.6415	999	999	0	0	0	0	0	0	0	""	A2	F1-74A	A1-75B	8PI	128	41	169	127	0	0	1	0
1-IODODODECANE	12	25	0	0	0	0	1	0	296	1.200	1.4840	298	0	0	0	0	0	0	0	0	""	M3	S-31249	A1-65D	8PI	57	43	71	41	0	0	1	0
A,A,A,A',A',A'-HEXACHLORO-P-XYLENE	8	4	0	0	6	0	0	0	310	0.000	0.0000	999	109	236	17200	274	1110	281	950	1	S-3626	A2	F1-999A	A1-799D	""	0	0	0	0	0	1	2	0
P,P'-DIBROMOBIPHENYL	12	8	0	0	0	2	0	0	310	0.000	0.0000	357	170	259	34940	0	0	0	0	2	S-3282	A2	F1-1022A	S-12372	8PI	152	312	76	310	0	1	2	0
1,3,5-TRIBROMOBENZENE	6	3	0	0	0	3	0	0	312	0.000	0.0000	271	124	268	278	275	330	283	212	2	S-5424	A2	F1-1008D	A1-808B	8PI	74	75	314	316	0	1	2	0
1,2,4-TRIBROMOBENZENE	6	3	0	0	0	3	0	0	312	0.000	0.0000	999	43	228	14100	231	14200	279	454	1	S23245	A2	F1-1003D	S-18970	8PI	314	316	235	312	0	1	2	0
BIS-P-BROMOPHENYL_ETHER	12	8	0	1	0	2	0	0	326	0.000	0.0000	999	60	237	19200	280	2190	288	1750	1	S18293	B	S-28841	S-4277	HB	328	326	330	168	0	1	2	0
2,4,6-TRIBROMOPHENOL	6	3	0	1	0	3	0	0	328	0.000	0.0000	290	89	289	2900	297	3200	0	0	2	S-1459	A2	F1-1107C	A1-892C	8PI	330	332	328	62	0	1	2	1
P,P'-DIBROMOBENZOPHENONE	13	8	0	1	0	2	0	0	338	0.000	0.0000	999	175	0	0	0	0	0	0	0	""	B	""	""	HB	183	185	340	76	1	1	2	0
1,1,2,2-TETRABROMOETHANE	2	2	0	0	0	4	0	0	342	2.966	1.6353	244	0	0	0	0	0	0	0	0	""	M3	F1-88A	S-6409	8PI	265	267	79	186	0	0	1	0
1,1,1,2-TETRABROMOETHANE	2	2	0	0	0	4	0	0	342	2.885	1.6333	999	999	0	0	0	0	0	0	0	""	A2	F1-87B	A1-84A	""	0	0	0	0	0	0	1	0
1,2,2,3-TETRABROMOPROPANE	3	4	0	0	0	4	0	0	356	2.703	1.6200	250	11	0	0	0	0	0	0	0	""	M3	""	""	""	0	0	0	0	0	0	1	0
BIS-2-ETHYLHEXYL_PHTHALATE	24	38	0	4	0	0	0	0	390	0.981	1.4853	384	-50	225	8310	275	1240	0	0	1	S22080	A2	F2-308A	A2-297C	8PI	149	57	167	57	1	1	3	0
2,4,6-TRIIODOPHENOL	6	3	0	1	0	0	3	0	472	0.000	0.0000	999	158	227	33700	295	3020	0	0	1	S19465	A2	F1-1099A	A1-892D	8PI	127	62	218	472	0	0	2	1
2-METHYL-3-BUTYN-2-OL	5	8	0	1	0	0	0	0	84	0.868	1.4209	104	999	0	0	0	0	0	0	0	""	A2	F2-937A	A2-954B	8PI	69	43	39	26	0	1	1	1
4-BROMO-N,N-DIMETHYLANILINE	8	10	1	0	0	1	0	0	199	0.000	0.0000	264	55	0	0	0	0	0	0	0	""	A2	F1-1261D	A1-1011C	REG	198	200	199	201	0	0	3	0
2-BUTYNE	4	6	0	0	0	0	0	0	54	0.691	1.3918	999	-32	0	0	0	0	0	0	0	""	A2	F2-931A	""	8PI	54	53	27	39	0	0	3	0
ACROLEIN	3	4	0	1	0	0	0	0	56	0.839	1.4020	53	-87	0	0	0	0	0	0	0	""	A2	F1-470D	S-9153	8PI	27	56	28	26	1	0	3	0
ALLYLAMINE	3	7	1	0	0	0	0	0	57	0.761	1.4205	53	-88	0	0	0	0	0	0	0	""	A2	S-29701	S-16934	8PI	30	56	28	57	0	0	3	1
CYCLOPROPYLAMINE	3	7	1	0	0	0	0	0	57	0.824	1.4206	49	999	0	0	0	0	0	0	0	""	A2	F1-312D	A1-269A	""	0	0	0	0	0	0	1	1
CYCLOBUTANONE	4	6	0	1	0	0	0	0	70	0.938	1.4195	99	999	0	0	0	0	0	0	0	""	A2	F1-430C	A1-393A	8PI	42	70	38	28	1	0	1	0
CYCLOBUTYLAMINE	4	9	1	0	0	0	0	0	71	0.833	1.4316	999	999	0	0	0	0	0	0	0	""	A2	F1-313B	""	""	0	0	0	0	0	0	1	1
ACRYLAMIDE	3	5	1	1	0	0	0	0	71	0.000	0.0000	999	84	0	0	0	0	0	0	0	""	A2	F1-794B	A1-630C	8PI	27	44	71	55	1	0	2	1
CYCLOPROPYL_CARBINOL	4	8	0	1	0	0	0	0	72	0.890	1.4330	999	999	0	0	0	0	0	0	0	""	A2	F1-149D	A1-138D	""	0	0	0	0	0	0	1	1
ACRYLIC_ACID	3	4	0	2	0	0	0	0	72	1.051	1.4202	139	13	0	0	0	0	0	0	0	""	A2	F1-498B	A1-434B	8PI	27	72	55	26	1	0	2	1
CYCLOBUTANOL	4	8	0	1	0	0	0	0	72	0.921	1.4371	999	999	0	0	0	0	0	0	0	""	A2	F1-151B	A1-139C	8PI	44	43	55	39	0	0	1	1
DL-1-AMINO-2-PROPANOL	3	9	1	1	0	0	0	0	75	0.973	1.4483	160	-2	0	0	0	0	0	0	0	""	A2	F1-335C	A1-293B	8PI	18	30	28	44	0	0	1	1
D-ALANINE	3	7	1	2	0	0	0	0	89	0.000	0.0000	999	291	0	0	0	0	0	0	0	""	A2	F1-571A	A1-485D	8PI	44	42	27	45	1	0	1	1
2-AMINO-1-BUTANOL	4	11	1	1	0	0	0	0	89	0.943	1.4518	176	999	0	0	0	0	0	0	0	""	A2	F1-337D	A1-492D	8PI	18	28	30	58	0	0	1	1
2-CYCLOHEXENE-1-ONE	6	8	0	1	0	0	0	0	96	0.993	1.4885	168	-53	225	8230	0	0	0	0	1	S-7699	A2	F1-447A	A1-411C	8PI	68	39	96	40	1	0	3	0
3-ACETYL-1-PROPANOL	5	10	0	2	0	0	0	0	102	1.007	1.4372	999	999	0	0	0	0	0	0	0	""	A2	F1-422B	A1-383C	8PI	43	84	39	83	1	0	1	1
2-AMINO-3-METHYL-1-BUTANOL	5	13	1	1	0	0	0	0	103	0.926	1.4548	999	999	0	0	0	0	0	0	0	""	A2	F1-336C	A1-294A	""	0	0	0	0	0	0	1	1
5-AMINO-1-PENTANOL	5	13	1	1	0	0	0	0	103	0.000	1.4615	999	35	0	0	0	0	0	0	0	""	A2	F1-339A	A1-296A	""	0	0	0	0	0	0	1	1
2-AMINO-1-PENTANOL	5	13	1	1	0	0	0	0	103	0.922	1.4511	194	999	0	0	0	0	0	0	0	""	A2	F1-338B	""	""	0	0	0	0	0	0	1	1
2-AMINO-1-HEXANOL	6	15	1	1	0	0	0	0	117	0.912	1.4522	190	999	0	0	0	0	0	0	0	""	A2	F1-338C	""	""	0	0	0	0	0	0	1	1
6-AMINO-1-HEXANOL	6	15	1	1	0	0	0	0	117	0.000	0.0000	999	56	0	0	0	0	0	0	0	""	A2	F1-339B	A1-296C	8PI	30	45	41	56	0	0	1	1
O-VINYLANILINE	8	9	1	0	0	0	0	0	119	1.020	1.6105	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	2	1
M-VINYLANILINE	8	9	1	0	0	0	0	0	119	1.020	1.6109	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	2	1
P-VINYLANILINE	8	9	1	0	0	0	0	0	119	1.020	0.0000	999	26	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	2	1
CYCLOPROPYL_BROMIDE	3	5	0	0	0	1	0	0	120	1.510	1.4605	999	999	0	0	0	0	0	0	0	""	A2	F1-102B	A1-93D	REG	41	39	120	122	0	0	1	0
P-VINYLPHENOL	8	8	0	1	0	0	0	0	120	0.000	0.0000	999	73	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	2	1
O-VINYL_PHENOL	8	8	0	1	0	0	0	0	120	1.060	1.5825	999	29	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	2	1
M-VINYL_PHENOL	8	8	0	1	0	0	0	0	120	1.050	1.5812	999	1	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	2	1
M-AMINOBENZALDEHYDE	7	7	1	1	0	0	0	0	121	0.000	0.0000	999	30	227	17500	243	9000	328	2000	2	LIT	B4	S-25192	""	REG	121	120	65	92	1	1	3	1
2-AMINOBENZALDEHYDE	7	7	1	1	0	0	0	0	121	0.000	0.0000	999	38	206	18300	233	10300	285	1040	1	S-4569	A2	S-47951	""	""	0	0	0	0	1	1	3	1
3,4-DIAMINOTOLUENE	7	10	2	0	0	0	0	0	122	0.000	0.0000	104	88	0	0	0	0	0	0	0	""	A2	F1-1236A	A1-1046B	8PI	122	121	94	105	0	1	3	1
2,4-DIAMINOTOLUENE	7	10	2	0	0	0	0	0	122	0.000	0.0000	283	97	294	2890	0	0	0	0	1	S-2177	A2	F1-1240A	A1-1049A	8PI	121	122	94	105	0	1	3	1
2,6-DIAMINOTOLUENE	7	10	2	0	0	0	0	0	122	0.000	0.0000	104	97	213	41500	288	1490	0	0	1	S18473	A2	F1-1239D	A1-1048D	8PI	122	121	104	94	0	1	3	1
O-AMINO_BENZYL_ALCOHOL	7	9	1	1	0	0	0	0	123	0.000	0.0000	999	83	219	15300	286	2350	338	2480	1	S20913	A2	F1-1196A	A1-993B	8PI	105	104	123	76	0	1	3	1
M-AMINO_BENZYL_ALCOHOL	7	9	1	1	0	0	0	0	123	0.000	0.0000	999	95	236	7140	287	1760	0	0	1	S36907	B3	S-25148	S-43498	8PI	123	94	95	77	0	1	3	1
P-AMINO_BENZYL_ALCOHOL	7	9	1	1	0	0	0	0	123	0.000	0.0000	999	75	0	0	0	0	0	0	0	""	B3	S-71579	S-44557	8PI	123	106	122	94	0	1	3	1
2-BROMOETHANOL	2	5	0	1	0	1	0	0	124	1.753	1.4920	999	999	0	0	0	0	0	0	0	""	A2	F1-180B	A1-170A	8PI	31	45	44	95	0	0	1	1
2-AMINOTHIOPHENOL	6	7	1	0	0	0	0	1	125	1.170	1.6408	999	19	340	3025	0	0	0	0	1	S-449	A2	S-15148	S-8764	8PI	125	93	80	97	0	1	2	1
CYCLOHEXYL_METHYL_KETONE	8	14	0	1	0	0	0	0	126	0.918	1.4530	180	999	0	0	0	0	0	0	0	""	A2	""	""	8PI	55	43	83	41	1	0	1	0
P-CYANOSTYRENE	9	7	1	0	0	0	0	0	129	1.000	1.5772	999	-15	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	2	0
M-CYANOSTYRENE	9	7	1	0	0	0	0	0	129	1.010	1.5695	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	2	0
O-CYANOSTYRENE	9	7	1	0	0	0	0	0	129	1.010	1.5705	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	2	0
ACROLEIN_DIETHYL_ACETAL	7	14	0	2	0	0	0	0	130	0.854	1.4000	125	999	0	0	0	0	0	0	0	""	A2	F1-220C	A1-188A	8PI	57	85	29	47	0	0	3	0
O-DIVINYLBENZENE	10	10	0	0	0	0	0	0	130	0.930	1.5767	999	999	0	0	0	0	0	0	0	""	B4	""	""	REG	129	128	127	115	0	1	2	0
O-CYANOBENZALDEHYDE	8	5	1	1	0	0	0	0	131	0.000	0.0000	999	108	212	10000	226	8030	281	935	1	S29628	B3	S-54786	S-26975	""	0	0	0	0	1	1	3	0
4-AMINOBENZYL_CYANIDE	8	8	2	0	0	0	0	0	132	0.000	0.0000	312	44	241	10145	292	1750	0	0	1	S-5763	A2	F2-435B	A2-410C	""	0	0	0	0	0	1	3	1
2-CHLOROCYCLOHEXANONE	6	9	0	1	1	0	0	0	132	1.161	1.4835	999	23	0	0	0	0	0	0	0	""	A2	F1-436B	A1-398A	8PI	55	42	88	132	1	0	1	0
M-VINYLBENZALDEHYDE	9	8	0	1	0	0	0	0	132	1.040	1.5836	999	999	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
P-VINYLBENZALDEHYDE	9	8	0	1	0	0	0	0	132	1.040	1.5985	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
P-CYANO_BENZYL_ALCOHOL	8	7	1	1	0	0	0	0	133	0.000	0.0000	999	42	0	0	0	0	0	0	0	""	B2	""	""	""	0	0	0	0	0	1	3	1
P-HYDROXY_PHENYLACETONITRILE	8	7	1	1	0	0	0	0	133	0.000	0.0000	330	69	0	0	0	0	0	0	0	""	B	S-76953	S-49792	8PI	133	78	132	77	0	1	3	1
M-HYDROXY_PHENYLACETONITRILE	8	7	1	1	0	0	0	0	133	0.000	0.0000	999	53	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	0	1	3	1
O-HYDROXY_PHENYLACETONITRILE	8	7	1	1	0	0	0	0	133	0.000	0.0000	999	122	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	3	1
M-HYDROXYMETHYL_BENZONITRILE	8	7	1	1	0	0	0	0	133	0.000	0.0000	999	28	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	3	1
M-VINYLANISOLE	9	10	0	1	0	0	0	0	134	0.990	1.5540	999	999	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	3	0
P-VINYL_BENZYL_ALCOHOL	9	10	0	1	0	0	0	0	134	0.000	1.5720	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	3	1
TEREPHTHALALDEHYDE	8	6	0	2	0	0	0	0	134	0.000	0.0000	245	115	254	17600	0	0	0	0	1	S-5240	A2	F2-113A	A2-111C	8PI	134	133	105	77	1	1	3	0
PHTHALALDEHYDE	8	6	0	2	0	0	0	0	134	0.000	0.0000	999	56	252	794	267	380	0	0	1	S20204	A2	F2-106D	A2-105D	8PI	105	77	106	134	1	1	3	0
ISOPHTHALALDEHYDE	8	6	0	2	0	0	0	0	134	0.000	0.0000	999	89	226	14100	244	11500	289	1050	1	S13666	A2	F2-109A	A2-107D	""	0	0	0	0	1	1	3	0
O-VINYLANISOLE	9	10	0	1	0	0	0	0	134	1.000	1.5595	999	999	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	3	0
O-AMINOBENZAMIDE	7	8	2	1	0	0	0	0	136	0.000	0.0000	999	113	213	23120	248	7550	330	4080	1	S-2987	A2	F2-368D	S-27615	8PI	119	136	92	65	1	1	2	1
P-HYDROXYMETHYL_BENZALDEHYDE	8	8	0	2	0	0	0	0	136	0.000	0.0000	999	47	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	1
M-AMINOBENZAMIDE	7	8	2	1	0	0	0	0	136	0.000	0.0000	999	115	0	0	0	0	0	0	0	""	A2	F2-370A	""	8PI	136	120	92	39	1	1	2	1
ANTHRANILAMIDE	7	8	2	1	0	0	0	0	136	0.000	0.0000	999	108	0	0	0	0	0	0	0	S-2987	A2	F2-368D	S-27615	8PI	119	136	92	65	1	1	2	1
P-AMINOBENZAMIDE	7	8	2	1	0	0	0	0	136	0.000	0.0000	999	182	0	0	0	0	0	0	0	""	A2	S-51412	S-45874	8PI	120	136	92	65	1	1	2	1
M-HYDROXYBENZAMIDE	7	7	1	2	0	0	0	0	137	0.000	0.0000	999	170	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	2	1
O-HYDROXYBENZAMIDE_(SALICYLAMIDE)	7	7	1	2	0	0	0	0	137	0.000	0.0000	999	142	235	7120	302	3810	0	0	1	S-973	A2	F2-368B	S-6740	8PI	120	92	137	39	1	1	2	1
3-BROMO-1-PROPANOL	3	6	0	1	0	1	0	0	137	1.537	1.4858	999	999	0	0	0	0	0	0	0	""	A2	F1-180D	A1-165A	8PI	31	120	122	58	0	0	1	1
P-HYDROXYBENZAMIDE	7	7	1	2	0	0	0	0	137	0.000	0.0000	999	161	0	0	0	0	0	0	0	""	A2	S-57923	S-30764	""	0	0	0	0	1	1	2	1
TRANS-DECAHYDRONAPHTHALENE	10	18	0	0	0	0	0	0	138	0.870	1.4685	999	-32	0	0	0	0	0	0	0	""	A2	F1-38C	A1-42D	8PI	138	68	67	96	0	0	1	0
3,4-DIHYDROXYBENZALDEHYDE	7	6	0	3	0	0	0	0	138	0.000	0.0000	999	153	231	8020	280	5260	312	8020	1	S-6272	A2	F2-121B	A2-119A	""	0	0	0	0	1	1	3	1
2,4-DIHYDROXYBENZALDEHYDE	7	6	0	3	0	0	0	0	138	0.000	0.0000	999	135	232	9860	279	15700	313	7380	1	S21982	A2	F2-121D	A2-117C	REG	137	138	81	69	1	1	3	1
CIS-DECAHYDRONAPHTHALENE	10	18	0	0	0	0	0	0	138	0.897	1.4800	193	-43	0	0	0	0	0	0	0	""	A2	F1-38D	A1-43A	8PI	96	138	67	81	0	0	1	0
1,2-BENZENEDIMETHANOL	8	10	0	2	0	0	0	0	138	0.000	0.0000	999	64	0	0	0	0	0	0	0	""	A2	F1-1129B	A1-933D	""	0	0	0	0	0	1	3	1
1,3-BENZENEDIMETHANOL	8	10	0	2	0	0	0	0	138	0.000	0.0000	999	58	271	139	0	0	0	0	1	S24213	A2	F1-1132A	A1-935D	""	0	0	0	0	0	1	3	1
2,5-DIHYDROXYBENZALDEHYDE	7	6	0	3	0	0	0	0	138	0.000	0.0000	999	98	218	5780	227	5560	299	3500	1	S-6271	A2	F2-121C	A2-117D	""	0	0	0	0	1	1	3	1
1,4-BENZENEDIMETHANOL	8	10	0	2	0	0	0	0	138	0.000	0.0000	999	118	218	8700	262	270	271	148	1	S-5241	A2	F1-1133D	A1-937C	8PI	79	107	91	138	0	1	3	1
tert-BUTYLCYCLOHEXANE	10	20	0	0	0	0	0	0	140	0.831	1.4462	167	999	0	0	0	0	0	0	0	""	A2	F1-36B	A1-40A	8PI	56	53	27	39	0	0	1	0
2-CHLORO-5-METHYLANILINE	7	8	1	0	1	0	0	0	141	0.000	0.0000	228	31	0	0	0	0	0	0	0	""	A2	F1-1218D	A1-1026A	""	0	0	0	0	0	1	3	1
2-CHLORO-6-METHYLANILINE	7	8	1	0	1	0	0	0	141	1.152	1.5761	215	2	236	21200	289	7510	0	0	1	S20906	A2	F1-1214B	A1-1019C	HB	106	141	77	140	0	1	3	1
4-CHLOROBENZYLAMINE	7	8	1	0	1	0	0	0	141	1.164	1.5586	215	999	220	11150	260	700	276	365	1	S-3286	A2	F1-1287B	A1-1090B	8PI	106	77	140	50	0	1	3	1
2-CHLORO-4-METHYLANILINE	7	8	1	0	1	0	0	0	141	1.151	1.5750	223	7	237	9110	296	2240	0	0	1	S-5910	A2	F1-1218C	A1-1026D	HB	140	141	106	77	0	1	3	1
2-CHLOROBENZYLAMINE	7	8	1	0	1	0	0	0	141	1.173	1.5601	999	999	249	3170	290	302	0	0	1	S-3284	A2	F1-1282B	A1-1085B	8PI	106	77	140	51	0	1	3	1
M-CYANO_PHENYLACETONITRILE	9	6	2	0	0	0	0	0	142	0.000	0.0000	999	87	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	3	0
P-CYANO_PHENYLACETONITRILE	9	6	2	0	0	0	0	0	142	0.000	0.0000	999	100	0	0	0	0	0	0	0	""	B4	""	""	8PI	142	115	141	114	0	1	3	0
O-CYANO_PHENYLACETONITRILE	9	6	2	0	0	0	0	0	142	0.000	0.0000	999	80	0	0	0	0	0	0	0	""	B4	S-45646	S-72775	8PI	142	115	114	88	0	1	3	0
1-AMINONAPHTHALENE	10	9	1	0	0	0	0	0	143	1.114	0.0000	301	48	243	27700	318	5100	0	0	2	S-2545	A2	S-571	S-539	8PI	143	115	116	89	0	1	2	1
5-CHLORO-2-HYDROXYANILINE	6	6	1	1	1	0	0	0	143	0.000	0.0000	999	143	240	5900	297	3340	0	0	1	S-6142	A2	F1-1228A	A1-1038A	REG	143	80	145	114	0	1	2	1
4-CHLORORESORCINOL	6	5	0	2	1	0	0	0	144	0.000	0.0000	999	106	225	5200	284	2290	0	0	1	S-1547	A2	F1-1105C	A1-901B	8PI	144	146	81	52	0	1	2	1
O-ACETYL_BENZONITRILE	9	7	1	1	0	0	0	0	145	0.000	0.0000	999	48	0	0	0	0	0	0	0	S21932	B3	S-29805	S-17134	""	0	0	0	0	1	1	3	0
P-ACETYL_BENZONITRILE	9	7	1	1	0	0	0	0	145	0.000	0.0000	999	59	247	20100	287	1490	0	0	1	S-8884	B3	S-28484	S-9756	8PI	130	102	43	75	1	1	3	0
M-ACETYL_BENZONITRILE	9	7	1	1	0	0	0	0	145	0.000	0.0000	999	98	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
O-ACETYLSTYRENE	10	10	0	1	0	0	0	0	146	0.000	1.5615	999	999	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
O-CYANOBENZAMIDE	8	6	2	1	0	0	0	0	146	0.000	0.0000	999	172	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	2	1
M-CYANOBENZAMIDE	8	6	2	1	0	0	0	0	146	0.000	0.0000	999	223	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	2	1
P-CYANOBENZAMIDE	8	6	2	1	0	0	0	0	146	0.000	0.0000	999	224	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	2	1
P-ACETYLSTYRENE	10	10	0	1	0	0	0	0	146	0.000	0.0000	999	37	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
M-VINYLBANZAMIDE	9	9	1	1	0	0	0	0	147	0.000	0.0000	999	133	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	2	1
P-VINYLBENZAMIDE	9	9	1	1	0	0	0	0	147	0.000	0.0000	999	170	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	2	1
P-METHOXY_PHENYLACETONITRILE	9	9	1	1	0	0	0	0	147	1.085	1.5300	286	999	226	10600	276	1660	283	1440	1	S-5928	A2	F2-435A	A2-410B	8PI	147	77	146	132	0	1	3	0
O-METHOXY_PHENYLACETONITRILE	9	9	1	1	0	0	0	0	147	0.000	0.0000	999	66	219	4860	271	1710	277	1560	1	S26083	A2	F2-430B	A2-405D	8PI	147	77	107	132	0	1	3	0
M-METHOXY_PHENYLACETONITRILE	9	9	1	1	0	0	0	0	147	1.054	1.5312	999	999	223	6500	274	1760	281	1770	2	S-262	A2	F2-432D	A2-407B	8PI	147	77	146	132	0	1	3	0
O-VINYLBENZAMIDE	9	9	1	1	0	0	0	0	147	0.000	0.0000	999	152	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	2	1
M-VINYLBENZOIC_ACID	9	8	0	2	0	0	0	0	148	0.000	0.0000	999	96	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	2	1
P-ACETYLBENZALDEHYDE	9	8	0	2	0	0	0	0	148	0.000	0.0000	999	33	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
P-VINYLBENZOIC_ACID	9	8	0	2	0	0	0	0	148	0.000	0.0000	999	142	0	0	0	0	0	0	0	""	A2	F2-194D	""	""	0	0	0	0	1	1	2	1
P-FORMYL_BENZAMIDE	8	7	1	2	0	0	0	0	149	0.000	0.0000	999	75	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	1
P-NITROSTYRENE	8	7	1	2	0	0	0	0	149	0.000	0.0000	999	29	0	0	0	0	0	0	0	""	B4	""	""	REG	149	77	103	119	0	1	2	0
O-NITROSTYRENE	8	7	1	2	0	0	0	0	149	0.000	1.5783	999	13	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	2	0
4-TERT-BUTYLANILINE	10	15	1	0	0	0	0	0	149	0.937	1.5388	999	15	236	10997	291	1875	0	0	2	S-4680	A2	F1-1203D	A1-1007A	REG	134	149	106	94	0	1	3	1
M-NITROSTYRENE	8	7	1	2	0	0	0	0	149	1.070	1.5840	999	-5	0	0	0	0	0	0	0	""	A2	F1-1334D	A1-1136B	REG	149	103	77	51	0	1	2	0
P-HYDROXYMETHYLACETOPHENONE	9	10	0	2	0	0	0	0	150	0.000	0.0000	999	54	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	1
O-FORMYL_BENZOIC_ACID	8	6	0	3	0	0	0	0	150	0.000	0.0000	999	97	240	12600	0	0	0	0	1	S-7787	A2	F2-190A	A2-187B	8PI	105	77	122	150	1	1	3	1
M-FORMYL_BENZOIC_ACID	8	6	0	3	0	0	0	0	150	0.000	0.0000	0	175	0	0	0	0	0	0	0	""	B2	""	""	""	0	0	0	0	1	1	3	1
P-FORMYL_BENZOIC_ACID	8	6	0	3	0	0	0	0	150	0.000	0.0000	999	247	238	12300	280	1215	0	0	1	S-8545	A2	F2-200C	A2-197A	8PI	149	150	121	65	1	1	3	1
1-BROMO-2-BUTANONE	4	7	0	1	0	1	0	0	150	1.479	1.4670	999	999	0	0	0	0	0	0	0	""	A2	F1-417B	""	""	0	0	0	0	1	0	1	0
2-HYDROXYMETHYL_ACETOPHENONE	9	10	0	2	0	0	0	0	150	0.000	1.5313	999	999	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	1
O-TOLYL_ACETATE	9	10	0	2	0	0	0	0	150	1.050	1.4998	210	999	255	408	261	417	268	355	1	S23105	B4	S-27873	S-21844	8PI	108	107	43	150	1	1	3	0
P-AMINO_PHENYL_ACETATE	8	9	1	2	0	0	0	0	151	0.000	0.0000	999	74	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	1
P-METHOXYBENZAMIDE	8	9	1	2	0	0	0	0	151	0.000	0.0000	999	165	249	13100	0	0	0	0	1	S23436	A2	A2-371D	A2-348D	""	0	0	0	0	1	1	3	1
M-METHOXYBENZAMIDE	8	9	1	2	0	0	0	0	151	0.000	0.0000	999	133	289	1870	0	0	0	0	1	S23435	A2	F2-369D	A2-347C	""	0	0	0	0	1	1	3	1
2-ACETAMIDOPHENOL	8	9	1	2	0	0	0	0	151	0.000	0.0000	999	207	242	14300	283	7410	0	0	1	S-8443	A2	F2-356C	A2-334C	8PI	109	43	80	151	1	1	3	1
4-ACETAMIDOPHENOL	8	9	1	2	0	0	0	0	151	0.000	0.0000	999	169	248	14800	0	0	0	0	1	S-2913	A2	F2-358B	A2-337C	8PI	109	151	43	80	1	1	3	1
O-HYDROXYMETHYL_BENZAMIDE	8	9	1	2	0	0	0	0	151	0.000	0.0000	999	150	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	1
3-ACETAMIDOPHENOL	8	9	1	2	0	0	0	0	151	0.000	0.0000	999	146	212	30240	245	11260	283	3220	1	S-6428	A2	F2-357B	S-10020	8PI	43	109	81	151	1	1	3	1
(-)-2-AMINO-3-PHENYL-1-PROPANOL	9	13	1	1	0	0	0	0	151	0.000	0.0000	999	92	252	367	258	395	267	259	1	S26634	A2	F1-1272D	A1-1078D	""	0	0	0	0	0	1	3	1
P-HYDROXYMETHYL_BENZAMIDE	8	9	1	2	0	0	0	0	151	0.000	0.0000	999	135	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	1
CATECHOL_MONOACETATE_(ORTHO)	8	8	0	3	0	0	0	0	152	0.000	1.5292	999	57	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	1
trans-1,2-DICHLOROCYCLOHEXANE	6	10	0	0	2	0	0	0	152	1.164	1.4917	193	999	0	0	0	0	0	0	0	""	A2	F1-106A	A1-98A	8PI	81	80	41	75	0	0	1	0
RESORCINOL_MONOACETATE_(META)	8	8	0	3	0	0	0	0	152	0.000	1.5328	999	55	0	0	0	0	0	0	0	""	B3	""	""	8PI	109	43	152	82	1	1	3	1
3,5-DIAMINOBENZOIC_ACID	7	8	2	2	0	0	0	0	152	0.000	0.0000	999	235	219	23400	336	2270	0	0	1	S-7790	A2	F2-227B	A2-224A	HB	152	107	80	45	1	1	2	1
3,4-DIAMINOBENZOIC_ACID	7	8	2	2	0	0	0	0	152	0.000	0.0000	999	215	221	11100	250	3800	327	1337	1	S-2962	A2	F2-220C	A2-216D	REG	152	135	107	80	1	1	2	1
HYDROQUINONE_MONOACETATE	8	8	0	3	0	0	0	0	152	0.000	0.0000	999	62	0	0	0	0	0	0	0	""	B3	""	""	REG	110	43	81	152	1	1	3	1
O-HYDROXYMETHYL_BENZOIC_ACID	8	8	0	3	0	0	0	0	152	0.000	0.0000	999	126	0	0	0	0	0	0	0	""	B3	""	""	8PI	105	134	77	133	1	1	3	1
M-HYDROXYMETHYL_BENZOIC_ACID	8	8	0	3	0	0	0	0	152	0.000	0.0000	999	115	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	1
P-HYDROXYMETHYL_BENZOIC_ACID	8	8	0	3	0	0	0	0	152	0.000	0.0000	999	182	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	1
1-CYANONAPHTHALENE	11	7	1	0	0	0	0	0	153	0.000	0.0000	299	999	219	38300	224	38500	296	6920	1	S22028	A2	F2-462D	A2-436C	8PI	153	126	76	63	0	1	2	0
2,5-DIHYDROXYBENZOIC_ACID	7	6	0	4	0	0	0	0	154	0.000	0.0000	999	205	212	21950	236	6160	334	4210	1	S-2028	A2	F2-216C	A2-212C	8PI	136	154	52	80	1	1	2	1
2,4-DIHYDROXYBENZOIC_ACID	7	6	0	4	0	0	0	0	154	0.000	0.0000	999	225	207	42100	256	19300	295	8200	1	S-105	A2	F2-216D	A2-212D	8PI	136	108	154	80	1	1	2	1
2-AMINO-4-NITROPHENOL	6	6	2	3	0	0	0	0	154	0.000	0.0000	999	143	224	10800	259	11600	373	4250	1	S-570	A2	F1-1363A	A1-1166B	HB	91	84	49	57	0	1	2	1
P-CHLOROBENZAMIDE	7	6	1	1	1	0	0	0	155	0.000	0.0000	999	173	233	13400	0	0	0	0	1	S36899	A2	F2-371A	A2-348B	8PI	139	155	111	141	1	1	2	1
M-CHLOROBENZAMIDE	7	6	1	1	1	0	0	0	155	0.000	0.0000	999	136	279	807	0	0	0	0	1	S29632	B4	S-54797	S-26983	""	0	0	0	0	1	1	2	1
O-CHLOROBENZAMIDE	7	6	1	1	1	0	0	0	155	0.000	0.0000	999	143	0	0	0	0	0	0	0	""	A2	F2-367D	A2-346A	""	0	0	0	0	1	1	2	1
1,4-PHENYLENEDIACETONITRILE	10	8	2	0	0	0	0	0	156	0.000	0.0000	999	95	212	5380	253	167	260	199	1	S23631	A2	F2-435D	A2-411A	8PI	116	156	51	89	0	1	3	0
1,3-PHENYLENEDIACETONITRILE	10	8	2	0	0	0	0	0	156	0.000	0.0000	999	33	0	0	0	0	0	0	0	""	A2	F2-433A	A2-408B	8PI	116	156	63	89	0	1	3	0
1,2-PHENYLENEDIACETONITRILE	10	8	2	0	0	0	0	0	156	0.000	0.0000	999	59	214	2170	256	422	0	0	1	S37355	A2	F2-431A	A2-406C	8PI	129	116	156	102	0	1	3	0
3-CHLORO-P-ANISIDINE	7	8	1	1	1	0	0	0	157	0.000	0.0000	999	50	0	0	0	0	0	0	0	""	A2	F1-1228C	""	REG	142	157	144	159	0	1	3	1
5-CHLORO-O-ANISIDINE	7	8	1	1	1	0	0	0	157	0.000	0.0000	999	83	243	7340	296	3610	0	0	1	S23198	A2	F1-1228B	A1-1038B	REG	142	157	144	159	0	1	3	1
4-CHLORO-O-ANISIDINE	7	8	1	1	1	0	0	0	157	0.000	0.0000	999	51	243	8195	294	3940	0	0	1	S-2291	A2	S-21276	S-11220	""	0	0	0	0	0	1	3	1
BENZENSULFONIC_ACID	6	6	0	3	0	0	0	1	158	0.000	0.0000	999	999	216	6000	234	731	263	310	1	S-3616	""	F2-491D	A2-818B	8PI	77	158	94	51	0	1	2	1
p-CHLOROBENZYL_MERCAPTAN	7	7	0	0	1	0	0	1	158	1.202	1.5893	999	19	223	10400	269	354	277	224	1	S16024	A2	F1-1178A	A1-986A	""	0	0	0	0	0	1	3	0
2-CHLOROBENZYL_MERCAPTAN	7	7	0	0	1	0	0	1	158	1.221	1.5904	999	999	0	0	0	0	0	0	0	""	A2	F1-1174D	""	""	0	0	0	0	0	1	3	0
M-ACETOXYBENZONITRILE	9	7	1	2	0	0	0	0	161	0.000	0.0000	999	60	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	0
O-ACETOXYBENZONITRILE	9	7	1	2	0	0	0	0	161	0.000	0.0000	252	999	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	0
P-CYANOMETHYL_BENZOIC_ACID	9	7	1	2	0	0	0	0	161	0.000	0.0000	999	192	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	1
O-CYANOMETHYL_BENZOIC_ACID	9	7	1	2	0	0	0	0	161	0.000	0.0000	999	115	228	8750	275	1110	282	983	1	S-6391	B3	S-10205	""	8PI	143	133	161	115	1	1	3	1
METHYL_4-CYANOBENZOATE	9	7	1	2	0	0	0	0	161	0.000	0.0000	999	62	0	0	0	0	0	0	0	""	B3	""	""	8PI	130	102	161	75	1	1	3	0
METHYL_3-CYANOBENZOATE	9	7	1	2	0	0	0	0	161	0.000	0.0000	999	65	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
METHYL_2-CYANOBENZOATE	9	7	1	2	0	0	0	0	161	0.000	0.0000	999	50	234	9560	282	1830	291	1740	1	S18786	B4	S-20815	S-11360	8PI	130	102	161	131	1	1	3	0
P-ACETOXYBENZONITRILE	9	7	1	2	0	0	0	0	161	0.000	0.0000	265	57	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	0
M-NITROPHENYLACETONITRILE	8	6	2	2	0	0	0	0	162	0.000	0.0000	999	63	0	0	0	0	0	0	0	""	B2	""	""	8PI	116	89	63	162	0	1	3	0
1-CHLORONAPHTHALENE	10	7	0	0	1	0	0	0	162	1.194	1.6320	999	-20	223	67500	273	6600	283	7500	1	S-1117	A2	F1-1027B	S-6747	8PI	162	164	127	126	0	1	2	0
P-ACETOXYSTYRENE	10	10	0	2	0	0	0	0	162	1.060	1.5390	999	8	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
O-ACETOXYSTYRENE	10	10	0	2	0	0	0	0	162	1.070	1.5383	999	999	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
METHYL_P-VINYLBENZOATE	10	10	0	2	0	0	0	0	162	0.000	0.0000	999	36	0	0	0	0	0	0	0	""	B3	""	""	8PI	131	162	103	77	1	1	3	0
P-DIACETYLBENZENE	10	10	0	2	0	0	0	0	162	0.000	0.0000	999	112	256	21100	295	1728	0	0	1	S-6636	A2	F2-17A	A2-17C	8PI	147	43	91	162	1	1	3	0
M-DIACETYLBENZENE	10	10	0	2	0	0	0	0	162	0.000	0.0000	999	36	223	31000	289	793	297	688	1	S19181	A2	F2-16D	A2-17B	8PI	147	91	43	119	1	1	3	0
O-DIACETYLBENZENE	10	10	0	2	0	0	0	0	162	0.000	0.0000	999	40	0	0	0	0	0	0	0	""	A2	F2-16C	A2-17A	REG	147	91	43	105	1	1	3	0
O-ACETYLBENZAMIDE	9	9	1	2	0	0	0	0	163	0.000	0.0000	999	122	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	1
METHYL_3-FORMYLBENZOATE	9	8	0	3	0	0	0	0	164	0.000	0.0000	999	58	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
METHYL_2-FORMYLBENZOATE	9	8	0	3	0	0	0	0	164	0.000	1.5411	220	999	0	0	0	0	0	0	0	""	B	""	""	8PI	105	104	77	133	1	1	3	0
1-BROMO-2-ETHYLBUTANE	6	13	0	0	0	1	0	0	164	1.179	1.4498	143	999	0	0	0	0	0	0	0	""	A2	F1-69D	S-18827	HB	43	85	55	71	0	0	1	0
PHTHALAMIDE	8	8	2	2	0	0	0	0	164	0.000	0.0000	999	222	215	24900	237	7500	273	1010	1	S-8200	B4	S-29966	S-35667	REG	148	130	105	164	1	1	2	1
TEREPHTHALAMIDE	8	8	2	2	0	0	0	0	164	0.000	0.0000	999	332	235	15900	0	0	0	0	1	S37740	B3	S-67270	""	""	0	0	0	0	1	1	2	1
ISOPHTHALAMIDE	8	8	2	2	0	0	0	0	164	0.000	0.0000	999	280	277	323	286	241	0	0	1	S19447	B1	S-23296	""	""	0	0	0	0	1	1	2	1
2-ACETYLBENZOIC_ACID	9	8	0	3	0	0	0	0	164	0.000	0.0000	999	116	228	8470	272	986	280	953	1	S16192	A2	F2-189D	A2-187A	""	0	0	0	0	1	1	3	1
METHYL_4-FORMYLBENZOATE	9	8	0	3	0	0	0	0	164	0.000	0.0000	265	60	0	0	0	0	0	0	0	""	A2	F2-305D	A2-289B	8PI	133	164	105	77	1	1	3	0
O-ACETOXYBENZALDEHYDE	9	8	0	3	0	0	0	0	164	0.000	0.0000	999	38	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
M-ACETOXYBENZALDEHYDE	9	8	0	3	0	0	0	0	164	0.000	0.0000	263	999	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	0
P-ACETOXYBENZALDEHYDE	9	8	0	3	0	0	0	0	164	1.168	1.5379	999	999	251	13300	0	0	0	0	1	S21267	A2	F2-314B	A2-303A	""	0	0	0	0	1	1	3	0
M-ACETYLBENZOIC_ACID	9	8	0	3	0	0	0	0	164	0.000	0.0000	999	172	214	32500	284	871	292	786	1	S16193	B	S-13912	S-16903	""	0	0	0	0	1	1	3	1
TEREPHTHALIC_ACID_MONOAMIDE	8	7	1	3	0	0	0	0	165	0.000	0.0000	999	300	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	2	1
4-BUTOXYANILINE	10	15	1	1	0	0	0	0	165	0.992	1.5343	999	999	230	9590	292	2160	0	0	1	S24392	A2	F1-1209A	A1-1014B	HB	109	80	165	53	0	1	3	1
ISOPHTHALIC_ACID_MONOAMIDE	8	7	1	3	0	0	0	0	165	0.000	0.0000	999	280	0	0	0	0	0	0	0	""	B1	""	""	""	0	0	0	0	1	1	2	1
PHTHALIC_ACID_MONOAMIDE	8	7	1	3	0	0	0	0	165	0.000	0.0000	999	154	275	1000	0	0	0	0	1	S18823	B4	S-20885	S-11517	""	0	0	0	0	1	1	2	1
O-METHOXYPHENYL_ACETATE	9	10	0	3	0	0	0	0	166	1.130	1.5125	240	999	0	0	0	0	0	0	0	""	B	""	""	8PI	124	109	43	52	1	1	3	0
METHYL_4-HYDROXYMETHYLBENZOATE	9	10	0	3	0	0	0	0	166	0.000	0.0000	999	51	237	13900	272	1110	0	0	1	S40420	A2	S-72970	S-45810	8PI	107	135	89	166	1	1	3	1
METHYL_3-METHOXYBENZOATE	9	10	0	3	0	0	0	0	166	1.130	0.0000	252	999	0	0	0	0	0	0	0	""	B	""	""	8PI	135	166	107	77	1	1	3	0
3-METHOXYPHENYL_ACETATE	9	10	0	3	0	0	0	0	166	0.000	0.0000	255	999	0	0	0	0	0	0	0	""	B	""	""	8PI	124	43	94	95	1	1	3	0
O-NITROBENZAMIDE	7	6	2	3	0	0	0	0	166	0.000	0.0000	999	176	241	5720	0	0	0	0	1	S37808	B3	F2-369A	A2-346D	8PI	150	51	166	77	1	1	2	1
M-NITROBENZAMIDE	7	6	2	3	0	0	0	0	166	0.000	0.0000	999	143	213	21110	252	8640	0	0	1	S37807	B3	F2-370B	A2-347D	8PI	150	166	76	104	1	1	2	1
4-METHOXYPHENYL_ACETATE	9	10	0	3	0	0	0	0	166	0.000	0.0000	999	32	0	0	0	0	0	0	0	""	B	""	""	8PI	124	109	43	166	1	1	3	0
4-BUTOXYPHENOL	10	14	0	2	0	0	0	0	166	0.000	0.0000	999	65	226	7870	292	2860	0	0	1	S-6030	A2	F1-1079D	A1-903B	8PI	110	166	111	41	0	1	3	1
P-NITROBENZAMIDE	7	6	2	3	0	0	0	0	166	0.000	0.0000	999	201	260	11300	0	0	0	0	1	S-1725	B3	F2-372A	A2-350A	8PI	150	166	76	104	1	1	2	1
PHTHALIC_ACID	8	6	0	4	0	0	0	0	166	0.000	0.0000	999	210	272	1160	280	1050	0	0	1	S-1730	A2	F2-200D	S-17103	8PI	104	76	148	50	1	1	2	1
TEREPHTHALIC_ACID	8	6	0	4	0	0	0	0	166	0.000	0.0000	999	300	240	17500	286	1960	295	1580	7	S-2383	A2	F2-201C	S-6875	8PI	149	166	121	75	1	1	2	1
ISOPHTHALIC_ACID	8	6	0	4	0	0	0	0	166	0.000	0.0000	999	342	273	686	279	870	287	840	1	S-2384	A2	F2-201A	A2-A98B	8PI	149	166	121	65	1	1	2	1
2,5-DIHYDROXYPHENYLACETIC_ACID	8	8	0	4	0	0	0	0	168	0.000	0.0000	999	127	0	0	0	0	0	0	0	S-3298	A2	F2-170C	A2-166A	8PI	122	94	150	66	1	1	3	1
2-AMINOBIPHENYL	12	11	1	0	0	0	0	0	169	0.000	0.0000	999	49	224	21500	300	3170	0	0	1	S-384	B3	S-28230	S-9421	8PI	169	168	167	115	0	1	2	1
4-AMINOBIPHENYL	12	11	1	0	0	0	0	0	169	0.000	0.0000	999	54	278	20500	0	0	0	0	1	S-6103	B3	S-33520	S-4398	8PI	169	170	168	115	0	1	2	1
3-AMINOBIPHENYL	12	11	1	0	0	0	0	0	169	0.000	0.0000	999	33	205	27400	233	22600	302	2500	1	S-6102	B3	S-38049	""	8PI	169	168	167	141	0	1	2	1
4-CHLOROPHENYLACETIC_ACID	8	7	0	2	1	0	0	0	170	0.000	0.0000	999	103	220	9660	267	317	275	259	1	S22514	A2	F1-157D	A2-153A	8PI	125	127	170	91	1	1	3	1
4-(CHLOROMETHYL)BENZOIC_ACID	8	7	0	2	1	0	0	0	170	0.000	0.0000	999	201	0	0	0	0	0	0	0	""	A2	""	""	""	0	0	0	0	1	1	3	1
2-CHLOROPHENYL_ACETATE	8	7	0	2	1	0	0	0	170	1.217	0.0000	999	999	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	0
3-CHLOROPHENYL_ACETATE	8	7	0	2	1	0	0	0	170	1.220	0.0000	999	999	0	0	0	0	0	0	0	""	B	""	""	8PI	128	43	130	170	1	1	3	0
4-CHLOROPHENYL_ACETATE	8	7	0	2	1	0	0	0	170	0.000	1.5205	999	9	0	0	0	0	0	0	0	""	B4	""	""	8PI	128	43	130	65	1	1	3	0
2'-ACETONAPHTONE	12	10	0	1	0	0	0	0	170	0.000	0.0000	300	53	246	50300	281	9530	290	8480	1	S-371	A2	F2-18C	A2-19C	8PI	155	127	170	126	1	1	3	0
METHYL_2-CHLOROBENZOATE	8	7	0	2	1	0	0	0	170	1.250	0.0000	235	999	227	5440	281	795	0	0	1	S19826	B4	S-23413	S-13983	8PI	139	111	141	170	1	1	3	0
2-CHLOROPHENYLACETIC_ACID	8	7	0	2	1	0	0	0	170	0.000	0.0000	999	95	0	0	0	0	0	0	0	""	A2	F2-150D	A2-146D	8PI	125	170	135	91	1	1	3	1
m-CHLOROPHENYLACETIC_ACID	8	7	0	2	1	0	0	0	170	0.000	0.0000	999	78	213	8870	266	253	274	201	1	S-9443	A2	F2-154A	A2-150A	""	0	0	0	0	1	1	3	1
3,5-DICHLOROBENZONITRILE	7	3	1	0	2	0	0	0	171	0.000	0.0000	999	64	0	0	0	0	0	0	0	""	A2	F2-459B	A2-433B	""	0	0	0	0	0	1	2	0
2,6-DICHLOROBENZONITRILE	7	3	1	0	2	0	0	0	171	0.000	0.0000	999	143	235	7670	241	6430	297	2100	1	S22717	A2	F2-454A	A2-428C	8PI	171	173	136	100	0	1	2	0
5-CHLORO-1,3-DIMETHOXYBENZENE	8	9	0	2	1	0	0	0	172	0.000	0.0000	234	34	0	0	0	0	0	0	0	""	A2	F1-1049D	A1-845B	""	0	0	0	0	0	1	3	0
4-CHLOROSALICYLIC_ACID	7	5	0	3	1	0	0	0	172	0.000	0.0000	999	210	242	13800	302	5040	0	0	1	S26397	A2	F2-214A	A2-207B	""	0	0	0	0	1	1	2	1
5-CHLOROSALICYLIC_ACID	7	5	0	3	1	0	0	0	172	0.000	0.0000	999	171	234	7070	315	3970	0	0	1	S-968	A2	F2-213D	A2-210B	8PI	154	126	172	156	1	1	2	1
ETHYL_M-CYANOBENZOATE	10	9	1	2	0	0	0	0	175	0.000	0.0000	999	56	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
ETHYL_P-CYANOBENZOATE	10	9	1	2	0	0	0	0	175	0.000	0.0000	999	54	238	21400	282	1620	291	1440	1	S-6823	B3	S-33566	S-2319	""	0	0	0	0	1	1	3	0
METHYL_2-CYANO_PHENYLACETATE	10	9	1	2	0	0	0	0	175	1.130	1.5230	999	999	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
ETHYL_O-CYANOBENZOATE	10	9	1	2	0	0	0	0	175	0.000	0.0000	999	68	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
P-ACETOXY_PHENYLACETONITRILE	10	9	1	2	0	0	0	0	175	0.000	0.0000	999	50	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
4-CYCLOHEXYLANILINE	12	17	1	0	0	0	0	0	175	0.000	0.0000	999	53	0	0	0	0	0	0	0	""	A2	F1-1205B	A1-1008A	8PI	132	175	119	133	0	1	3	1
METHYL_P-CYANOMETHYL_BENZOATE	10	9	1	2	0	0	0	0	175	0.000	0.0000	999	64	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
METHYL_2-CYANOMETHYL_BENZOATE	10	9	1	2	0	0	0	0	175	0.000	0.0000	999	48	0	0	0	0	0	0	0	""	B4	""	""	8PI	143	175	144	116	1	1	3	0
2,6-DICHLOROANISOLE	7	6	0	1	2	0	0	0	176	1.291	1.5436	999	10	220	8900	271	461	278	429	1	S19210	A2	F1-1045C	A1-841C	8PI	133	176	161	163	0	1	3	0
3,5-DICHLOROANISOLE	7	6	0	1	2	0	0	0	176	0.000	0.0000	999	40	224	6760	278	1510	285	1530	1	S19212	A2	F1-1049C	A1-845C	8PI	176	146	178	148	0	1	3	0
ETHYL_P-VINYLBENZOATE	11	12	0	2	0	0	0	0	176	1.040	1.5475	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
2,3-DICHLOROANISOLE	7	6	0	1	2	0	0	0	176	0.000	0.0000	999	31	226	7400	277	1910	284	1940	1	S19206	A2	F1-1046A	A1-841D	8PI	176	133	178	135	0	1	3	0
N-BROMOSUCCINIMIDE	4	4	1	2	0	1	0	0	177	0.000	0.0000	999	180	0	0	0	0	0	0	0	""	A2	F1-798B	S-21804	REG	56	28	177	179	1	0	2	0
4-BUTOXYBENZALDEHYDE	11	14	0	2	0	0	0	0	178	1.031	1.5394	285	999	219	2140	282	3000	0	0	1	S28326	A2	F2-111D	A2-110A	HB	121	122	178	65	1	1	3	0
METHYL_2-ACETYLBENZOATE	10	10	0	3	0	0	0	0	178	0.000	1.5277	999	999	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
METHYL_4-ACETYLBENZOATE	10	10	0	3	0	0	0	0	178	0.000	0.0000	999	95	0	0	0	0	0	0	0	""	B3	""	""	8PI	163	135	147	103	1	1	3	0
3-ACETOXY_ACETOPHENONE	10	10	0	3	0	0	0	0	178	0.000	0.0000	999	44	241	9480	287	1230	0	0	1	S28786	B3	S-12444	S-6134	""	0	0	0	0	1	1	3	0
4-tert-BUTYLBENZOIC_ACID	11	14	0	2	0	0	0	0	178	0.000	0.0000	999	165	237	9180	0	0	0	0	1	S-1676	A2	S-8436	S-3287	8PI	163	135	178	91	1	1	3	1
2-ACETOXY_ACETOPHENONE	10	10	0	3	0	0	0	0	178	0.000	0.0000	999	89	237	14800	280	1230	0	0	1	S28440	B3	S-53883	S-24869	8PI	105	77	43	51	1	1	3	0
4-BUTYLBENZOIC_ACID	11	14	0	2	0	0	0	0	178	0.000	0.0000	999	100	236	14500	0	0	0	0	1	S28332	A2	F2-193D	A2-191B	""	0	0	0	0	1	1	3	1
P-ACETOXY_ACETOPHENONE	10	10	0	3	0	0	0	0	178	0.000	0.0000	999	54	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	0
P-CYANOBIPHENYL	13	9	1	0	0	0	0	0	179	0.000	0.0000	999	86	267	26000	0	0	0	0	1	S18799	B4	S-20850	S-11376	""	0	0	0	0	0	1	2	0
O-CYANOBIPHENYL	13	9	1	0	0	0	0	0	179	0.000	0.0000	999	38	0	0	0	0	0	0	0	""	B3	""	""	8PI	179	178	76	151	0	1	2	0
M-CYANOBIPHENYL	13	9	1	0	0	0	0	0	179	0.000	0.0000	999	49	0	0	0	0	0	0	0	""	B2	""	""	""	0	0	0	0	0	1	2	0
TEREPHTHALIC_ACID,_METHYLESTER_AMIDE	9	9	1	3	0	0	0	0	179	0.000	0.0000	999	206	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	1
N-ACETYLANTHRANILIC_ACID	9	9	1	3	0	0	0	0	179	0.000	0.0000	999	184	251	13800	303	4475	0	0	1	S-1592	A2	F2-356D	A2-335B	8PI	119	137	179	92	1	1	3	1
ISOPHTHALIC_ACID,_METHYLESTER_AMIDE	9	9	1	3	0	0	0	0	179	0.000	0.0000	999	148	0	0	0	0	0	0	0	""	B1	""	""	""	0	0	0	0	1	1	3	1
PHTHALIC_ACID,_METHYLESTER_AMIDE	9	9	1	3	0	0	0	0	179	0.000	0.0000	999	100	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	1
O-ACETOXYYLBENZAMIDE	9	9	1	3	0	0	0	0	179	0.000	0.0000	999	138	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	1
4-ACETAMIDOBENZOIC_ACID	9	9	1	3	0	0	0	0	179	0.000	0.0000	999	259	269	22900	0	0	0	0	1	S-1595	A2	F2-361B	A2-339A	8PI	137	120	179	43	1	1	3	1
P-ACETOXYBENZAMIDE	9	9	1	3	0	0	0	0	179	0.000	0.0000	999	179	0	0	0	0	0	0	0	""	B2	""	""	""	0	0	0	0	1	1	3	1
M-ACETOXYBENZAMIDE	9	9	1	3	0	0	0	0	179	0.000	0.0000	999	140	0	0	0	0	0	0	0	""	B2	""	""	""	0	0	0	0	1	1	3	1
M-PHENYLSTYRENE	14	12	0	0	0	0	0	0	180	1.030	1.6280	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	2	0
O-PHENYLSTYRENE	14	12	0	0	0	0	0	0	180	1.030	1.6190	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	2	0
mono-METHYL_PHTHALATE	9	8	0	4	0	0	0	0	180	0.000	0.0000	999	83	0	0	0	0	0	0	0	""	A2	""	""	8PI	104	76	148	31	1	1	3	1
P-PHENYLSTYRENE	14	12	0	0	0	0	0	0	180	0.000	0.0000	999	119	0	0	0	0	0	0	0	""	B3	S-48354	""	""	0	0	0	0	0	1	2	0
M-ACETOXY_BENZOIC_ACID	9	8	0	4	0	0	0	0	180	0.000	0.0000	999	133	0	0	0	0	0	0	0	""	B3	""	""	REG	138	121	43	180	1	1	3	1
mono-METHYL_TEREPHTHALATE	9	8	0	4	0	0	0	0	180	0.000	0.0000	999	221	238	20600	284	1870	0	0	1	S37776	A2	S-67344	S-40265	8PI	149	65	121	180	1	1	3	1
MONO-METHYL_ISOPHTHALATE	9	8	0	4	0	0	0	0	180	0.000	0.0000	999	166	0	0	0	0	0	0	0	""	B4	""	""	REG	180	65	121	150	1	1	3	1
4-ACETOXYBENZOIC_ACID	9	8	0	4	0	0	0	0	180	0.000	0.0000	999	194	0	0	0	0	0	0	0	""	A2	F2-314D	""	8PI	138	121	180	139	1	1	3	1
DICYCLOHEXYLAMINE	12	23	1	0	0	0	0	0	181	0.910	1.4842	256	-2	0	0	0	0	0	0	0	""	A2	F1-315A	S-10404	8PI	138	56	181	41	0	0	1	1
O-NITROPHENYL_ACETATE	8	7	1	4	0	0	0	0	181	0.000	0.0000	999	40	0	0	0	0	0	0	0	""	A2	F2-313B	""	REG	138	59	122	0	1	1	3	0
M-NITROPHENYL_ACETATE	8	7	1	4	0	0	0	0	181	0.000	0.0000	999	54	0	0	0	0	0	0	0	""	B4	""	""	REG	181	138	46	59	1	1	3	0
P-NITROPHENYL_ACETATE	8	7	1	4	0	0	0	0	181	0.000	0.0000	999	78	271	7230	0	0	0	0	1	S-7321	A2	F2-313C	A2-302B	8PI	43	109	65	139	1	1	3	0
M-NITRO_PHENYLACETIC_ACID	8	7	1	4	0	0	0	0	181	0.000	0.0000	999	119	261	7860	0	0	0	0	1	S40294	B4	S-72578	S-45498	8PI	136	90	181	120	1	1	3	1
O-CHLOROCINNAMIC_ACID__(trans)	9	7	0	2	1	0	0	0	182	0.000	0.0000	999	208	210	14900	221	13000	271	15900	1	S-267	A2	F2-176A	A2-172D	REG	147	103	91	75	1	1	2	1
M-CHLOROCINNAMIC_ACID__(trans)	9	7	0	2	1	0	0	0	182	0.000	0.0000	999	159	220	22400	225	18260	269	20700	1	S-8550	A2	F2-177D	A2-174B	REG	182	147	102	75	1	1	2	1
P-CHLOROCINNAMIC_ACID__(trans)	9	7	0	2	1	0	0	0	182	0.000	0.0000	999	248	218	13900	224	11500	277	21700	1	S-8551	A2	F2-180A	A2-176C	REG	182	181	102	75	1	1	2	1
P-PHENYLBENZALDEHYDE	13	10	0	1	0	0	0	0	182	0.000	0.0000	999	60	287	30000	0	0	0	0	1	S-9391	B	S-1767	S-16125	""	0	0	0	0	1	1	3	0
2-CHLORO-4-DIMETHYLAMINOBENZALDEHYDE	9	10	1	1	1	0	0	0	183	0.000	0.0000	999	80	260	12300	340	11100	0	0	1	S25820	A2	A3-920D	A2-119B	""	0	0	0	0	1	1	3	0
3-METHOXYBIPHENYL	13	12	0	1	0	0	0	0	184	0.000	1.6130	999	999	0	0	0	0	0	0	0	""	B4	""	""	8PI	184	141	115	154	0	1	3	0
2-METHOXYBIPHENYL	13	12	0	1	0	0	0	0	184	0.000	0.0000	999	31	246	11100	284	4540	0	0	1	S23165	B4	S-27983	S-17323	8PI	184	169	141	115	0	1	3	0
O-PHENYL_BENZYL_ALCOHOL	13	12	0	1	0	0	0	0	184	0.000	0.0000	999	50	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	3	1
ETHYL_2-CHLOROBENZOATE	9	9	0	2	1	0	0	0	184	1.190	1.5225	240	999	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	0
4-BIPHENYLMETHANOL	13	12	0	1	0	0	0	0	184	0.000	0.0000	999	46	0	0	0	0	0	0	0	""	A2	F1-1145A	A1-951C	""	0	0	0	0	0	1	3	1
P-PHENYL_BENZYL_ALCOHOL	13	12	0	1	0	0	0	0	184	0.000	0.0000	999	105	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	3	1
M-PHENYL_BENZYL_ALCOHOL	13	12	0	1	0	0	0	0	184	0.000	0.0000	999	55	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	3	1
1,2-DIBROMOETHYLENE	2	2	0	0	0	2	0	0	184	2.246	1.5433	999	999	0	0	0	0	0	0	0	""	A2	F1-98C	A1-90C	8PI	186	105	107	184	0	1	2	0
4-METHOXYBIPHENYL	13	12	0	1	0	0	0	0	184	0.000	0.0000	999	91	260	16700	309	691	323	768	1	S23169	B3	S-27989	S-17328	8PI	184	141	169	115	0	1	3	0
2-BROMO-4-METHYLANILINE	7	8	1	0	0	1	0	0	185	1.500	1.6015	240	14	238	7600	299	2240	0	0	1	S21997	A2	F1-1220D	A1-1031B	8PI	106	185	187	77	0	1	3	1
4-BROMO-3-METHYLANILINE	7	8	1	0	0	1	0	0	185	0.000	0.0000	240	79	244	12400	296	1570	0	0	1	S18783	A2	F1-1220C	A1-1031A	""	0	0	0	0	0	1	3	1
4-BROMO-2-METHYLANILINE	7	8	1	0	0	1	0	0	185	0.000	0.0000	240	52	243	10400	296	1810	0	0	1	S-8169	A2	F1-1220B	A1-1030D	8PI	106	185	187	77	0	1	3	1
4-CHLORO-2-METHOXYBENZOIC_ACID	8	7	0	3	1	0	0	0	186	0.000	0.0000	999	146	230	16200	266	10500	311	9180	1	S16308	A2	F2-211C	A2-207C	""	0	0	0	0	1	1	3	1
2-BROMO-4-METHYLPHENOL	7	7	0	1	0	1	0	0	186	1.547	1.5772	213	999	0	0	0	0	0	0	0	""	A2	F1-1088D	A1-884A	""	0	0	0	0	0	1	3	1
4-CHLOROBIPHENYL	12	9	0	0	1	0	0	0	188	0.000	0.0000	999	78	252	20000	0	0	0	0	2	S-4410	B3	S-28367	S-12185	8PI	188	190	152	153	0	1	2	0
CYCLOHEXYL_PHENYL_KETONE	13	16	0	1	0	0	0	0	188	0.000	0.0000	999	55	242	12100	278	971	0	0	1	S22249	A2	F2-11A	A2-12A	8PI	105	77	55	188	1	1	3	0
2-CHLOROBIPHENYL	12	9	0	0	1	0	0	0	188	1.150	0.0000	275	34	241	11800	0	0	0	0	1	S-3351	B4	S-36570	S-23088	8PI	188	152	190	153	0	1	2	0
3-CHLOROBIPHENYL	12	9	0	0	1	0	0	0	188	1.158	1.6186	999	18	0	0	0	0	0	0	0	""	B3	""	""	REG	188	190	152	76	0	1	2	0
ETHYL_O-CYANOMETHYL_BENZOATE	11	11	1	2	0	0	0	0	189	1.120	1.5172	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
2,6-DICHLOROBENZAMIDE	7	5	1	1	2	0	0	0	189	0.000	0.0000	999	198	271	370	278	323	0	0	1	S15701	A2	F2-373C	A2-351C	8PI	173	175	174	189	1	1	2	1
4-CHLOROBENZENESULFONAMIDE	6	6	1	2	1	0	0	1	191	0.000	0.0000	999	145	225	10600	257	195	264	220	1	S-4127	A2	F2-532A	A2-851C	8PI	111	75	175	191	0	1	2	1
ETHYL_P-ACETYLBENZOATE	11	12	0	3	0	0	0	0	192	0.000	0.0000	999	55	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
O-BENZYL_BENZONITRILE	14	11	1	0	0	0	0	0	193	0.000	0.0000	315	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	3	0
P-BENZYL_BENZONITRILE	14	11	1	0	0	0	0	0	193	0.000	0.0000	999	51	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	3	0
ISOPHTHALIC_ACID,_MONOETHYL_ESTER	10	10	0	4	0	0	0	0	194	0.000	0.0000	999	109	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	1
RESORCINOL_DIACETATE_(META)	10	10	0	4	0	0	0	0	194	0.000	1.5034	290	999	259	574	316	103	0	0	1	S-1545	B	S-481	S-699	REG	110	152	43	111	1	1	3	0
METHYL_2-ACETOXYBENZOATE	10	10	0	4	0	0	0	0	194	1.210	1.5107	999	52	226	9280	275	1270	0	0	1	S16065	B	S-9834	S-4572	8PI	120	152	43	121	1	1	3	0
METHYL_3-ACETOXYBENZOATE	10	10	0	4	0	0	0	0	194	0.000	0.0000	999	29	0	0	0	0	0	0	0	""	B2	""	""	8PI	121	152	43	194	1	1	3	0
HYDROQUINONE_DIACETATE	10	10	0	4	0	0	0	0	194	0.000	0.0000	999	125	216	14000	263	551	269	534	1	S23030	B4	S-455	S-252	""	0	0	0	0	1	1	3	0
CATECHOL_DIACETATE_(ORTHO)	10	10	0	4	0	0	0	0	194	0.000	0.0000	999	64	261	740	267	720	0	0	1	S-802	B4	S-42201	""	8PI	110	43	152	194	1	1	3	0
4-BUTOXYBENZOIC_ACID	11	14	0	3	0	0	0	0	194	0.000	0.0000	999	147	253	16600	0	0	0	0	1	S-6015	A2	F2-197B	S-27799	""	0	0	0	0	1	1	3	1
M-BROMOPHENYLACETONITRILE	8	6	1	0	0	1	0	0	195	0.000	0.0000	999	28	0	0	0	0	0	0	0	""	A2	""	""	""	0	0	0	0	0	1	3	0
P-ACETYLBIPHENYL	14	12	0	1	0	0	0	0	196	0.000	0.0000	999	122	0	0	0	0	0	0	0	""	B3	""	""	8PI	181	196	152	153	1	1	3	0
2-ACETYLBIPHENYL	14	12	0	1	0	0	0	0	196	0.000	0.0000	999	56	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
3-ACETYLBIPHENYL	14	12	0	1	0	0	0	0	196	0.000	1.6167	999	36	0	0	0	0	0	0	0	""	B4	S-17180	S-8339	""	0	0	0	0	1	1	3	0
O-PHENYLBENZAMIDE	13	11	1	1	0	0	0	0	197	0.000	0.0000	999	177	0	0	0	0	0	0	0	""	B3	""	""	8PI	180	181	152	197	1	1	2	1
P-PHENYLBENZAMIDE	13	11	1	1	0	0	0	0	197	0.000	0.0000	999	223	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	2	1
O-PHENYLBENZOIC_ACID	13	10	0	2	0	0	0	0	198	0.000	0.0000	999	115	240	9500	280	1980	0	0	1	S20511	B3	S-26865	S-15604	""	0	0	0	0	1	1	2	1
P-PHENYLBENZOIC_ACID	13	10	0	2	0	0	0	0	198	0.000	0.0000	999	227	270	23100	0	0	0	0	1	S19568	B3	S-24794	S-13506	""	0	0	0	0	1	1	2	1
M-PHENYLBENZOIC_ACID	13	10	0	2	0	0	0	0	198	0.000	0.0000	999	167	226	25080	250	17160	0	0	1	S-6110	B3	S-38054	""	""	0	0	0	0	1	1	2	1
5-BROMO-1,2,4-TRIMETHYLBENZENE	9	11	0	0	0	1	0	0	198	0.000	0.0000	233	71	271	674	280	713	0	0	1	S-6078	A2	F1-1012A	A1-811C	""	0	0	0	0	0	1	3	0
O-BROMOBENZAMIDE	7	6	1	1	0	1	0	0	199	0.000	0.0000	999	160	267	406	0	0	0	0	1	S-9845	A2	F2-368A	A2-346B	REG	183	185	199	201	1	1	2	1
M-BROMOBENZAMIDE	7	6	1	1	0	1	0	0	199	0.000	0.0000	999	155	0	0	0	0	0	0	1	S26522	B3	S-51220	S-23567	""	0	0	0	0	1	1	2	1
2-NITROBIPHENYL	12	9	1	2	0	0	0	0	199	0.000	0.0000	999	37	231	16300	0	0	0	0	1	S-373	B3	S-15315	S-86	REG	152	115	171	182	0	1	2	0
3-NITROBIPHENYL	12	9	1	2	0	0	0	0	199	0.000	0.0000	999	62	248	26100	0	0	0	0	1	S-6834	B3	S-33567	S-19639	8PI	199	152	153	169	0	1	2	0
P-BROMOBENZAMIDE	7	6	1	1	0	1	0	0	199	0.000	0.0000	999	191	238	14300	0	0	0	0	1	S24572	A2	F2-371B	A2-348C	REG	199	201	102	75	1	1	2	1
4-NITROBIPHENYL	12	9	1	2	0	0	0	0	199	0.000	0.0000	999	114	222	11600	305	14700	0	0	1	S15778	B3	S-8531	S-3084	8PI	199	152	169	153	0	1	2	0
2-CHLORO-4-NITROBENZOIC_ACID	7	4	1	4	1	0	0	0	201	0.000	0.0000	999	139	209	18700	262	7760	0	0	1	S-5416	A2	F2-221D	A2-218B	HB	99	201	75	115	1	1	2	1
2-CHLORO-3-NITROBENZOIC_ACID	7	4	1	4	1	0	0	0	201	0.000	0.0000	999	181	220	11000	0	0	0	0	1	S16318	A2	F2-208A	A2-204A	""	0	0	0	0	1	1	2	1
2-CHLORO-5-NITROBENZOIC_ACID	7	4	1	4	1	0	0	0	201	0.000	0.0000	999	166	216	15600	269	10100	0	0	1	S-3298	A2	F2-222C	A2-219A	""	0	0	0	0	1	1	2	1
3-CHLORO-2-NITROBENZOIC_ACID	7	4	1	4	1	0	0	0	201	0.000	0.0000	999	237	280	1170	287	1140	0	0	1	S23378	A2	F2-207D	A2-203D	""	0	0	0	0	1	1	2	1
1-CHLORO-3,4-DINITROBENZENE	6	3	2	4	1	0	0	0	202	1.687	1.5870	999	999	0	0	0	0	0	0	0	""	A2	F1-1369C	A1-1173A	HB	63	75	202	98	0	1	2	0
1-CHLORO-2,4-DINITROBENZENE	6	3	2	4	1	0	0	0	202	0.000	0.0000	999	53	238	11513	260	11100	0	0	1	S-5204	A2	F1-1370A	S-6681	8PI	30	202	75	110	0	1	2	0
2-BROMO-5-CHLOROTOLUENE	7	6	0	0	1	1	0	0	204	2.046	1.5748	999	999	0	0	0	0	0	0	0	""	A2	""	""	REG	125	89	206	204	0	1	3	0
3-CHLOROBENZYL_BROMIDE	7	6	0	0	1	1	0	0	204	1.565	1.5895	999	999	274	490	0	0	0	0	1	S-5916	A2	S-37283	A1-789C	""	0	0	0	0	0	1	3	0
2-CHLOROBENZYL_BROMIDE	7	6	0	0	1	1	0	0	204	1.583	1.5922	999	999	0	0	0	0	0	0	0	""	A2	F1-980C	""	""	0	0	0	0	0	1	3	0
ETHYL_P-ACETOXYBENZOATE	11	12	0	4	0	0	0	0	208	1.160	1.5110	287	34	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	0
1,2,4-BENZENTRICARBOXILIC_ACID	9	6	0	6	0	0	0	0	210	0.000	0.0000	999	231	232	11700	282	1670	289	1700	1	S19466	A2	F2-201D	A2-199A	8PI	148	75	74	120	1	1	2	1
CYCLOHEXYL_IODIDE	6	11	0	0	0	0	1	0	210	1.624	1.5441	999	999	0	0	0	0	0	0	0	""	A2	F1-104B	A1-95C	8PI	83	55	41	210	0	0	1	0
P-PHENYL-N-METHYLBENZAMIDE	14	13	1	1	0	0	0	0	211	0.000	0.0000	999	86	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	1
O-BENZYLBENZAMIDE	14	13	1	1	0	0	0	0	211	0.000	0.0000	999	165	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	1
1-CHLOROANTHRACENE	14	9	0	0	1	0	0	0	212	1.171	0.0000	999	77	217	22200	248	99999	380	7950	1	S26457	A2	F1-1030D	A1-830D	HB	212	176	214	88	0	1	2	0
2-ACETOXYBIPHENYL	14	12	0	2	0	0	0	0	212	0.000	0.0000	999	65	0	0	0	0	0	0	0	""	B4	""	""	8PI	169	171	170	141	1	1	3	0
4-CUMYLPHENOL	15	16	0	1	0	0	0	0	212	0.000	0.0000	335	70	223	10500	277	1950	0	0	1	S24591	A2	F1-1118A	A1-915C	8PI	197	212	103	91	0	1	3	1
METHYL_4-PHENYLBENZOATE	14	12	0	2	0	0	0	0	212	0.000	0.0000	999	118	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
4-ACETOXYBIPHENYL	14	12	0	2	0	0	0	0	212	0.000	0.0000	999	88	251	18000	0	0	0	0	1	S40776	B3	S-73389	S-46375	8PI	170	171	115	212	1	1	3	0
3-ACETOXYBIPHENYL	14	12	0	2	0	0	0	0	212	0.000	0.0000	999	34	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
O-PHENYL_PHENYLACETIC_ACID	14	12	0	2	0	0	0	0	212	0.000	0.0000	999	116	0	0	0	0	0	0	0	""	B3	""	""	8PI	194	212	165	195	1	1	3	0
METHYL_2-PHENYLBENZOATE	14	12	0	2	0	0	0	0	212	0.000	0.0000	308	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
METHYL_3-BROMOBENZOATE	8	7	0	2	0	1	0	0	214	0.000	0.0000	999	33	224	8460	281	976	288	861	1	S24720	B4	S-23992	""	REG	183	185	155	157	1	1	3	0
METHYL_4-BROMOBENZOATE	8	7	0	2	0	1	0	0	214	0.000	0.0000	999	81	237	23200	311	1630	323	1200	1	S23136	B	S-27922	S-17285	REG	183	185	155	157	1	1	3	0
3-BROMO-4-METHYLBENZOIC_ACID	8	7	0	2	0	1	0	0	214	0.000	0.0000	999	200	0	0	0	0	0	0	0	""	A2	""	""	""	0	0	0	0	1	1	3	1
METHYL_2-BROMOBENZOATE	8	7	0	2	0	1	0	0	214	0.000	0.0000	253	999	282	993	0	0	0	0	1	S23170	B4	S-27990	S-17329	REG	183	185	214	216	1	1	3	0
2-BROMOPHENYL_ACETATE	8	7	0	2	0	1	0	0	214	1.492	0.0000	999	999	0	0	0	0	0	0	0	""	B	""	""	8PI	172	174	94	214	1	1	3	0
4-BROMOPHENYL_ACETATE	8	7	0	2	0	1	0	0	214	0.000	0.0000	237	21	0	0	0	0	0	0	0	""	B	""	""	REG	174	214	216	43	1	1	3	0
3-BROMOPHENYL_ACETATE	8	7	0	2	0	1	0	0	214	1.548	0.0000	999	999	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	0
2-BROMO-5-NITROTOLUENE	7	6	1	2	0	1	0	0	215	0.000	0.0000	999	78	0	0	0	0	0	0	0	""	A2	A1-1351A	A1-1155B	""	0	0	0	0	0	1	3	0
2-BROMO-6-NITROTOLUENE	7	6	1	2	0	1	0	0	215	0.000	0.0000	999	40	0	0	0	0	0	0	0	""	A2	""	""	""	0	0	0	0	0	1	3	0
2-BROMO-4-NITROTOLUENE	7	6	1	2	0	1	0	0	215	0.000	0.0000	999	76	213	7240	270	10400	0	0	1	S-8060	A2	F1-1356C	A1-1160A	""	0	0	0	0	0	1	3	0
1-BROMO-2,4-DIMETHOXYBENZENE	8	9	0	2	0	1	0	0	216	1.507	1.5716	999	26	228	8420	283	2950	289	2580	1	S20288	A2	F1-1048C	A1-844A	""	0	0	0	0	0	1	3	0
6-CHLORO-2,4-DINITROANILINE	6	4	3	4	1	0	0	0	217	0.000	0.0000	999	157	0	0	0	0	0	0	0	""	A2	F1-1378A	A1-1181A	8PI	125	217	90	63	0	1	2	1
1-BROMO-4-METHYLNAPHTHALENE	11	9	0	0	0	1	0	0	220	1.419	1.6512	999	999	227	56700	280	6900	291	8500	2	S-6126	A2	F1-1029C	A1-828C	REG	141	220	222	115	0	1	3	0
M-IODOPHENOL	6	5	0	1	0	0	1	0	220	0.000	0.0000	999	43	223	9450	227	9420	277	2800	1	S24238	A2	S-31352	S-19115	8PI	220	65	93	127	0	1	2	1
O-IODOPHENOL	6	5	0	1	0	0	1	0	220	0.000	0.0000	999	42	227	9080	280	3630	287	3190	1	S19426	B3	S-23168	S-13552	8PI	220	65	127	93	0	1	2	1
1-BROMO-2-METHYLNAPHTHALENE	11	9	0	0	0	1	0	0	220	1.418	1.6484	296	999	227	92000	276	6520	287	7100	2	S-6128	A2	F1-1029B	A1-828B	""	0	0	0	0	0	1	3	0
P-IODOPHENOL	6	5	0	1	0	0	1	0	220	0.000	0.0000	999	94	0	0	0	0	0	0	0	""	A2	F1-1078D	A1-875D	8PI	220	93	65	63	0	1	2	1
1-BROMO-2-NAPHTOL	10	7	0	1	0	1	0	0	222	0.000	0.0000	999	75	229	54000	280	5300	334	2600	1	S-6076	A2	F1-1110C	A1-909D	HB	222	224	114	115	0	1	2	1
ETHYL_4-PHENYLBENZOATE	15	14	0	2	0	0	0	0	226	0.000	0.0000	999	49	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
ETHYL_2-PHENYLBENZOATE	15	14	0	2	0	0	0	0	226	1.100	1.5755	999	999	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
4-BROMOCINNAMIC_ACID	9	7	0	2	0	1	0	0	226	0.000	0.0000	999	262	0	0	0	0	0	0	0	""	A2	F2-180B	""	""	0	0	0	0	1	1	2	1
m-BROMOCINNAMIC_ACID	9	7	0	2	0	1	0	0	226	0.000	0.0000	999	177	222	19200	270	18800	0	0	1	S13703	A2	F2-178A	A2-174C	""	0	0	0	0	1	1	2	1
BENZOIN_METHYL_ETHER	15	14	0	2	0	0	0	0	226	0.000	0.0000	999	47	0	0	0	0	0	0	0	""	A2	F2-37C	A2-46A	8PI	121	77	105	91	1	1	3	0
ETHYL_3-BROMOBENZOATE	9	9	0	2	0	1	0	0	228	1.430	1.5425	999	999	0	0	0	0	0	0	0	""	B2	""	""	8PI	183	185	200	76	1	1	3	0
ETHYL_4-BROMOBENZOATE	9	9	0	2	0	1	0	0	228	1.430	1.5470	264	999	243	18300	282	604	0	0	1	S19748	B	S-22106	S-11387	REG	183	185	200	155	1	1	3	0
ETHYL_2-BROMOBENZOATE	9	9	0	2	0	1	0	0	228	1.440	1.5430	265	999	0	0	0	0	0	0	0	""	B2	""	""	""	0	0	0	0	1	1	3	0
O-IODOBENZONITRILE	7	4	1	0	0	0	1	0	229	0.000	0.0000	999	55	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	0	1	2	0
M-IODOBENZONITRILE	7	4	1	0	0	0	1	0	229	0.000	0.0000	999	40	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	2	0
P-IODOBENZONITRILE	7	4	1	0	0	0	1	0	229	0.000	0.0000	999	125	0	0	0	0	0	0	0	""	B3	""	S-19944		0	0	0	0	0	1	2	0
M-IODOSTYRENE	8	7	0	0	0	0	1	0	230	1.674	1.6390	999	999	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	2	0
O-TERPHENYL	18	14	0	0	0	0	0	0	230	0.000	0.0000	338	56	232	25000	0	0	0	0	3	S-1257	B4	S-409	S-10622	8PI	230	229	215	228	0	1	2	0
5-BROMOVANILLIN	8	7	0	3	0	1	0	0	230	0.000	0.0000	999	164	214	17600	232	15900	286	10100	1	S-9321	A2	F2-126D	A2-125A	HB	230	231	232	229	1	1	3	1
O-IODOSTYRENE	8	7	0	0	0	0	1	0	230	1.670	1.6363	999	999	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	2	0
M-TERPHENYL	18	14	0	0	0	0	0	0	230	0.000	0.0000	999	87	245	99999	0	0	0	0	2	S-2171	B4	S-408	S-206	8PI	230	231	228	229	0	1	2	0
P-IODOSTYRENE	8	7	0	0	0	0	1	0	230	0.000	0.0000	999	44	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	2	0
P-TERPHENYL	18	14	0	0	0	0	0	0	230	0.000	0.0000	389	213	278	33000	0	0	0	0	1	S-2247	B4	S-513	S-27204	8PI	230	231	228	229	0	1	2	0
P-IODOBENZALDEHYDE	7	5	0	1	0	0	1	0	232	0.000	0.0000	999	78	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
2-BROMOBIPHENYL	12	9	0	0	0	1	0	0	232	1.352	1.6278	297	2	236	9780	0	0	0	0	1	S28339	A2	F1-1021B	S-24723	REG	152	232	234	153	0	1	2	0
O-IODOBENZALDEHYDE	7	5	0	1	0	0	1	0	232	0.000	0.0000	999	37	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	1	1	3	0
3-BROMOBIPHENYL	12	9	0	0	0	1	0	0	232	1.398	1.6390	999	999	0	0	0	0	0	0	0	""	A2	F1-1021C	""	REG	152	232	234	153	0	1	2	0
M-IODOBENZALDEHYDE	7	5	0	1	0	0	1	0	232	0.000	0.0000	999	58	249	8000	296	1300	303	1235	2	LIT	B4	""	""	""	0	0	0	0	1	1	3	0
M-IODOBENZYL_ALCOHOL	7	7	0	1	0	0	1	0	234	1.842	1.6357	999	999	227	17700	0	0	0	0	1	S26461	A2	F1-1131A	A1-935B	""	0	0	0	0	0	1	3	1
O-IODOBENZYL_ALCOHOL	7	7	0	1	0	0	1	0	234	0.000	0.0000	999	92	226	15800	0	0	0	0	1	S26392	A2	F1-1128A	A2-932D	""	0	0	0	0	0	1	3	1
P-IODOBENZYL_ALCOHOL	7	7	0	1	0	0	1	0	234	0.000	0.0000	999	73	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	3	1
5-BROMO-2-CHLOROBENZOIC_ACID	7	4	0	2	1	1	0	0	234	0.000	0.0000	999	154	0	0	0	0	0	0	0	""	A2	F2-211A	A2-206D	""	0	0	0	0	1	1	2	1
P-IODOPHENYLACETONITRILE	8	6	1	0	0	0	1	0	243	0.000	0.0000	999	48	0	0	0	0	0	0	0	""	B4	""	""	""	0	0	0	0	0	1	3	0
O-IODOBENZOIC_ACID	7	5	0	2	0	0	1	0	248	0.000	0.0000	999	162	0	0	0	0	0	0	0	""	A2	F2-187D	A2-184C	REG	248	231	203	65	1	1	2	1
M-IODOBENZOIC_ACID	7	5	0	2	0	0	1	0	248	0.000	0.0000	999	187	0	0	0	0	0	0	0	""	A2	F2-191D	A2-189A	REG	248	65	121	231	1	1	2	1
P-IODOBENZOIC_ACID	7	5	0	2	0	0	1	0	248	0.000	0.0000	999	273	252	16500	0	0	0	0	1	S-8147	A2	F2-196A	S-2411	REG	248	231	65	121	1	1	2	1
2,4-DIBROMOANILINE	6	5	1	0	0	2	0	0	249	0.000	0.0000	999	78	247	13400	307	2820	0	0	1	S28703	A2	F1-1221B	A1-1031C	8PI	251	90	249	91	0	1	2	1
2,6-DIBROMOANILINE	6	5	1	0	0	2	0	0	249	0.000	0.0000	262	80	208	31400	247	12200	310	2820	1	S-6258	A2	F1-1215B	A1-1021D	""	0	0	0	0	0	1	2	1
2,5-DIBROMOANILINE	6	5	1	0	0	2	0	0	249	0.000	0.0000	999	51	211	37400	243	8030	302	3520	1	S-8517	A2	F1-1221C	A1-1031D	""	0	0	0	0	0	1	2	1
2,4-DIBROMOPHENOL	6	4	0	1	0	2	0	0	250	0.000	0.0000	999	40	223	9780	288	2610	295	2200	1	S-8349	A2	F1-1090B	S-2735	8PI	252	63	250	143	0	1	2	1
11-BROMO-1-UNDECANOL	11	23	0	1	0	1	0	0	250	0.000	0.0000	999	46	0	0	0	0	0	0	0	""	A2	F1-181B	A1-166A	""	0	0	0	0	0	0	1	1
METHYL_4-IODOBENZOATE	8	7	0	2	0	0	1	0	262	0.000	0.0000	999	115	254	18100	0	0	0	0	1	S21963	B4	S-29970	S-18742	REG	231	262	203	76	1	1	3	0
METHYL_2-IODOBENZOATE	8	7	0	2	0	0	1	0	262	1.780	1.6052	999	999	288	1360	0	0	0	0	1	S21946	B4	S-29819	S-17148	REG	231	262	203	76	1	1	3	0
METHYL_3-IODOBENZOATE	8	7	0	2	0	0	1	0	262	0.000	0.0000	999	54	219	26200	288	968	0	0	1	S21956	B4	S-29968	S-18741	REG	262	231	203	76	1	1	3	0
4-IODOPHENYL_ACETATE	8	7	0	2	0	0	1	0	262	0.000	0.0000	999	32	0	0	0	0	0	0	0	""	B	""	""	""	0	0	0	0	1	1	3	0
3-IODOPHENYL_ACETATE	8	7	0	2	0	0	1	0	262	0.000	0.0000	999	38	0	0	0	0	0	0	0	""	B3	""	""	""	0	0	0	0	1	1	3	0
12-BROMO-1-DODECANOL	12	25	0	1	0	1	0	0	264	0.000	0.0000	999	34	0	0	0	0	0	0	0	""	A2	F1-181C	A1-166B	""	0	0	0	0	0	0	1	1
1,4-DICHLORO-2-IODOBENZENE	6	3	0	0	2	0	1	0	272	0.000	0.0000	999	21	232	12900	279	1630	287	1350	1	S24093	A2	F1-1008A	A1-806D	""	0	0	0	0	0	1	2	0
1,2-DICHLORO-3-IODOBENZENE	6	3	0	0	2	0	1	0	272	0.000	0.0000	999	35	0	0	0	0	0	0	0	""	A2	F1-1001B	A1-801A	""	0	0	0	0	0	1	2	0
1,3-DICHLORO-5-IODOBENZENE	6	3	0	0	2	0	1	0	272	0.000	0.0000	999	56	234	10000	275	594	0	0	1	S40371	A2	F1-1009A	A1-808C	""	0	0	0	0	0	1	2	0
2,5-DIBROMONITROBENZENE	6	3	1	2	0	2	0	0	279	2.374	0.0000	999	82	224	17200	307	1240	0	0	1	S-8520	A2	F1-1356D	A1-1160D	REG	74	75	281	235	0	1	2	0
4-IODOBIPHENYL	12	9	0	0	0	0	1	0	280	0.000	0.0000	999	114	259	24500	0	0	0	0	1	S23174	B4	S-31001	S-21856	8PI	280	152	281	153	0	1	2	0
3-IODOBIPHENYL	12	9	0	0	0	0	1	0	280	1.597	1.6755	999	999	0	0	0	0	0	0	0	""	B4	""	""	REG	280	152	153	281	0	1	2	0
M-DIIODOBENZENE	6	4	0	0	0	0	2	0	330	0.000	1.7176	999	37	225	24800	0	0	0	0	1	S23219	B	S-31071	S-18935	8PI	330	203	76	50	0	1	2	0
1,2-DIIODOBENZENE	6	4	0	0	0	0	2	0	330	2.524	1.7176	999	999	0	0	0	0	0	0	0	""	A2	F1-978B	S-40029	8PI	330	203	76	50	0	1	2	0
1,4-DIIODOBENZENE	6	4	0	0	0	0	2	0	330	0.000	0.0000	285	131	0	0	0	0	0	0	0	""	A2	F1-989D	A1-794C	8PI	330	203	76	50	0	1	2	0