CC1=NN=C([N-]S(=O)(=O)C=CC2=CC=CC=C2)O1	REAL250005076928	0	28	-1.0	-49.51	265.04	-1.51	-51.02
CC1=NN=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3CC2)O1	REAL250005076929	0	32	-1.0	-51.06	287.62	-0.29	-51.35
CC1=NN=C([N-]S(=O)(=O)CC2=CC=C(F)C=C2)O1	REAL250005076930	0	27	-1.0	-48.26	263.38	-1.89	-50.15
CC1=NN=C([N-]S(=O)(=O)CCC2=CC=CC=C2)O1	REAL250005076931	0	30	-1.0	-49.08	278.46	-1.18	-50.26
CC1=NN=C([N-]S(=O)(=O)CC2=CC=CC(F)=C2)O1	REAL250005076932	0	27	-1.0	-50.11	263.38	-1.90	-52.01
CC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2F)O1	REAL250005076933	0	27	-1.0	-53.63	262.27	-1.94	-55.57
CC1=NN=C([N-]S(=O)(=O)CC2=CC(C)=CC=C2)O1	REAL250005076934	0	30	-1.0	-51.34	278.37	-1.31	-52.65
CC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2)O1	REAL250005076935	0	27	-1.0	-51.13	256.96	-1.96	-53.09
CC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])O1	REAL250005076936	0	29	-1.0	-60.10	274.77	-0.87	-60.97
CC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2C)O1	REAL250005076937	0	30	-1.0	-51.05	271.30	-1.32	-52.37
CC1=NN=C([N-]S(=O)(=O)CC2=CC=C(F)C=C2F)O1	REAL250005076938	0	27	-1.0	-49.47	268.71	-1.87	-51.34
CC1=NN=C([N-]S(=O)(=O)CC2=CC=C(C)C(F)=C2)O1	REAL250005076939	0	30	-1.0	-50.27	283.69	-1.25	-51.52
CC1=NN=C([N-]S(=O)(=O)CC2=CC(C)=CC(C)=C2)O1	REAL250005076940	0	33	-1.0	-51.73	299.79	-0.65	-52.38
CCCCCCCS(=O)(=O)[N-]C1=NN=C(C)O1	REAL250005076941	0	35	-1.0	-48.48	304.55	-1.08	-49.56
CC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2Cl)O1	REAL250005076942	0	27	-1.0	-51.53	270.53	-1.53	-53.06
CC1=NN=C([N-]S(=O)(=O)CC2=CC=C(C)C=C2F)O1	REAL250005076943	0	30	-1.0	-53.29	283.69	-1.25	-54.54
CC1=NN=C([N-]S(=O)(=O)CC2=C(F)C=CC=C2F)O1	REAL250005076944	0	27	-1.0	-55.38	267.59	-1.91	-57.29
CC1=NN=C([N-]S(=O)(=O)C(C)C(=O)N(C)C)O1	REAL250005076945	0	30	-1.0	-59.42	269.38	-4.72	-64.14
CC1=NN=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3OC2)O1	REAL250005076946	0	30	-1.0	-50.09	278.87	-2.18	-52.27
COC1=CC=C(CCS(=O)(=O)[N-]C2=NN=C(C)O2)C=C1	REAL250005076947	0	34	-1.0	-49.63	307.97	-1.88	-51.51
COC(CS(=O)(=O)[N-]C1=NN=C(C)O1)C1=CC=CC=C1	REAL250005076948	0	34	-1.0	-49.36	304.46	-2.18	-51.54
CC1=NN=C([N-]S(=O)(=O)CC2=C(C)C=CC=C2C)O1	REAL250005076949	0	33	-1.0	-51.01	286.93	-0.72	-51.73
CC1=NN=C([N-]S(=O)(=O)CC2=CC=CC(Cl)=C2)O1	REAL250005076950	0	27	-1.0	-49.74	273.70	-1.46	-51.20
COC(CC(C)C)CS(=O)(=O)[N-]C1=NN=C(C)O1	REAL250005076951	0	36	-1.0	-50.85	303.25	-2.83	-53.68
CC1=NN=C([N-]S(=O)(=O)CCOCC2CC2)O1	REAL250005076952	0	31	-1.0	-46.55	284.25	-3.37	-49.92
CC1=NN=C([N-]S(=O)(=O)CC2=CC=C(CC#N)C=C2)O1	REAL250005076953	0	31	-1.0	-55.06	299.21	-0.80	-55.86
COC(CS(=O)(=O)[N-]C1=NN=C(C)O1)C1CC1	REAL250005076954	0	31	-1.0	-50.19	278.75	-3.41	-53.60
COC(CS(=O)(=O)[N-]C1=NN=C(C)O1)C(C)C	REAL250005076955	0	33	-1.0	-51.21	283.36	-3.53	-54.74
CC1=NN=C([N-]S(=O)(=O)CC2=CC=C(Cl)C=C2)O1	REAL250005076956	0	27	-1.0	-48.21	273.70	-1.44	-49.65
CC1=NN=C([N-]S(=O)(=O)CCCC2CCOCC2)O1	REAL250005076957	0	37	-1.0	-49.59	311.89	-2.63	-52.22
CC1=NN=C([N-]S(=O)(=O)CCC2=CC=CC=C2F)O1	REAL250005076958	0	30	-1.0	-51.55	284.03	-1.15	-52.70
COC(CS(=O)(=O)[N-]C1=NN=C(C)O1)C1CCOC1	REAL250005076959	0	35	-1.0	-50.64	297.88	-5.17	-55.81
COC(CS(=O)(=O)[N-]C1=NN=C(C)O1)C1CCCC1	REAL250005076960	0	37	-1.0	-47.74	307.51	-2.41	-50.15
CC1=NN=C([N-]S(=O)(=O)C=CC2=CC=CC(Cl)=C2)O1	REAL250005076961	0	28	-1.0	-47.33	281.78	-0.98	-48.31
CC1=NN=C([N-]S(=O)(=O)C=CC2=CC=CC=C2Cl)O1	REAL250005076962	0	28	-1.0	-50.54	279.29	-1.07	-51.61
CC1=NN=C([N-]S(=O)(=O)CCC(C)(F)F)O1	REAL250005076963	0	26	-1.0	-47.97	251.17	-3.28	-51.25
CC1=NN=C([N-]S(=O)(=O)CCC2=CC=CC(F)=C2)O1	REAL250005076964	0	30	-1.0	-48.89	284.88	-1.11	-50.00
CC1=NN=C([N-]S(=O)(=O)C=CC2=CC=C(F)C=C2)O1	REAL250005076965	0	28	-1.0	-47.01	271.46	-1.43	-48.44
CC1=NN=C([N-]S(=O)(=O)CC(C)(C)CF)O1	REAL250005076966	0	29	-1.0	-48.62	253.45	-2.72	-51.34
CC1=NN=C([N-]S(=O)(=O)C2(C(F)F)CC2)O1	REAL250005076967	0	24	-1.0	-49.31	233.53	-2.76	-52.07
CC1=NN=C([N-]S(=O)(=O)CC2(C)CC(C)C2)O1	REAL250005076968	0	33	-1.0	-49.95	279.68	-1.70	-51.65
CC1=NN=C([N-]S(=O)(=O)CC2CC(C(C)C)C2)O1	REAL250005076969	0	36	-1.0	-50.04	303.82	-1.07	-51.11
CC1=NN=C([N-]S(=O)(=O)CC2=NOC(C3CC3)=N2)O1	REAL250005076970	0	29	-1.0	-53.46	280.17	-4.97	-58.43
CC(C)C1=NN=C([N-]S(=O)(=O)C=CC2=CC=CC=C2)O1	REAL250005076971	0	34	-1.0	-49.97	307.35	-0.15	-50.12
CC(C)C1=NN=C([N-]S(=O)(=O)C2CCCCC2)O1	REAL250005076972	0	36	-1.0	-50.75	300.79	-0.90	-51.65
CC(C)C1=NN=C([N-]S(=O)(=O)CC2=CC=C(F)C=C2)O1	REAL250005076973	0	33	-1.0	-48.55	305.68	-0.54	-49.09
CC(C)C1=NN=C([N-]S(=O)(=O)CCC2=CC=CC=C2)O1	REAL250005076974	0	36	-1.0	-49.54	320.77	0.18	-49.36
CC(C)C1=NN=C([N-]S(=O)(=O)CC2=CC=CC(F)=C2)O1	REAL250005076975	0	33	-1.0	-50.37	305.69	-0.53	-50.90
CC(C)C1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2F)O1	REAL250005076976	0	33	-1.0	-53.90	304.58	-0.58	-54.48
CC1=CC=CC(CS(=O)(=O)[N-]C2=NN=C(C(C)C)O2)=C1	REAL250005076977	0	36	-1.0	-51.78	320.68	0.07	-51.71
CC(C)C1=NN=C([N-]S(=O)(=O)CCC2CC2)O1	REAL250005076978	0	33	-1.0	-48.89	292.48	-1.28	-50.17
CC(C)C1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2)O1	REAL250005076979	0	33	-1.0	-51.43	299.27	-0.60	-52.03
CC1=CC=CC=C1CS(=O)(=O)[N-]C1=NN=C(C(C)C)O1	REAL250005076980	0	36	-1.0	-51.54	313.61	0.04	-51.50
CCCCCCCS(=O)(=O)[N-]C1=NN=C(C(C)C)O1	REAL250005076981	0	41	-1.0	-48.92	346.86	0.28	-48.64
CC(C)CCCS(=O)(=O)[N-]C1=NN=C(C(C)C)O1	REAL250005076982	0	38	-1.0	-49.14	321.43	-0.78	-49.92
CC(C)C1=NN=C([N-]S(=O)(=O)C(C)C(=O)N(C)C)O1	REAL250005076983	0	36	-1.0	-60.07	312.09	-3.37	-63.44
CC(C)C1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005076984	0	32	-1.0	-48.59	288.95	-1.92	-50.51
COC(C)CS(=O)(=O)[N-]C1=NN=C(C(C)C)O1	REAL250005076985	0	33	-1.0	-51.53	292.15	-3.59	-55.12
C#CCCCS(=O)(=O)[N-]C1=NN=C(C(C)C)O1	REAL250005076986	0	31	-1.0	-50.48	288.15	-1.54	-52.02
C=CCCCS(=O)(=O)[N-]C1=NN=C(C(C)C)O1	REAL250005076987	0	33	-1.0	-49.00	295.17	-1.50	-50.50
CCC(CS(=O)(=O)[N-]C1=NN=C(C(C)C)O1)OC	REAL250005076988	0	36	-1.0	-53.26	306.68	-2.44	-55.70
CC(C)C1=NN=C([N-]S(=O)(=O)CCOCC2CC2)O1	REAL250005076989	0	37	-1.0	-46.88	326.57	-2.02	-48.90
COC(CS(=O)(=O)[N-]C1=NN=C(C(C)C)O1)C1CC1	REAL250005076990	0	37	-1.0	-50.58	321.06	-2.04	-52.62
COC(CS(=O)(=O)[N-]C1=NN=C(C(C)C)O1)C(C)C	REAL250005076991	0	39	-1.0	-47.33	324.78	-2.39	-49.72
CC(C)C1=NN=C([N-]S(=O)(=O)CCC(C)(F)F)O1	REAL250005076992	0	32	-1.0	-48.20	293.48	-1.92	-50.12
CC(C)C1=NN=C([N-]S(=O)(=O)CC2(F)CC2)O1	REAL250005076993	0	30	-1.0	-53.35	276.29	-2.03	-55.38
CCOCCS(=O)(=O)[N-]C1=NN=C(C(C)C)O1	REAL250005076994	0	33	-1.0	-46.79	294.89	-3.59	-50.38
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(C(C)C)O1	REAL250005076995	0	30	-1.0	-47.46	275.93	-2.37	-49.83
CC(C)C1=NN=C([N-]S(=O)(=O)CC(C)C2CC2)O1	REAL250005076996	0	36	-1.0	-49.26	306.26	-0.65	-49.91
CC(C)C1=NN=C([N-]S(=O)(=O)CC(C)(C)CF)O1	REAL250005076997	0	35	-1.0	-48.95	295.76	-1.36	-50.31
CC(C)C1=NN=C([N-]S(=O)(=O)C2(C(F)F)CC2)O1	REAL250005076998	0	30	-1.0	-45.64	278.89	-1.72	-47.36
CC(C)C1=NN=C([N-]S(=O)(=O)CC2CC(F)C2)O1	REAL250005076999	0	33	-1.0	-49.26	294.24	-1.45	-50.71
CC(C)C1=NN=C([N-]S(=O)(=O)CC2(C)CC(C)C2)O1	REAL250005077000	0	39	-1.0	-50.43	321.99	-0.34	-50.77
O=S(=O)(C=CC1=CC=CC=C1)[N-]C1=NN=C(C2CC2)O1	REAL250005077001	0	32	-1.0	-50.66	296.43	0.16	-50.50
O=S(=O)([N-]C1=NN=C(C2CC2)O1)C1CCCCC1	REAL250005077002	0	34	-1.0	-51.48	289.88	-0.59	-52.07
O=S(=O)(CC1=CC=C(F)C=C1)[N-]C1=NN=C(C2CC2)O1	REAL250005077003	0	31	-1.0	-49.30	294.77	-0.23	-49.53
O=S(=O)(CCC1=CC=CC=C1)[N-]C1=NN=C(C2CC2)O1	REAL250005077004	0	34	-1.0	-50.26	309.85	0.48	-49.78
O=S(=O)(CC1=CC=CC(F)=C1)[N-]C1=NN=C(C2CC2)O1	REAL250005077005	0	31	-1.0	-51.13	294.76	-0.24	-51.37
O=S(=O)(CC1=CC=CC=C1F)[N-]C1=NN=C(C2CC2)O1	REAL250005077006	0	31	-1.0	-54.77	293.66	-0.27	-55.04
CC1=CC=CC(CS(=O)(=O)[N-]C2=NN=C(C3CC3)O2)=C1	REAL250005077007	0	34	-1.0	-52.59	309.76	0.36	-52.23
O=S(=O)(CCC1CC1)[N-]C1=NN=C(C2CC2)O1	REAL250005077008	0	31	-1.0	-49.66	281.56	-0.98	-50.64
O=S(=O)(CC1=CC=CC=C1)[N-]C1=NN=C(C2CC2)O1	REAL250005077009	0	31	-1.0	-52.26	288.35	-0.30	-52.56
CC1=CC=CC=C1CS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077010	0	34	-1.0	-52.20	304.05	0.28	-51.92
CCCCCCCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077011	0	39	-1.0	-49.64	335.94	0.58	-49.06
CC(C)CCCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077012	0	36	-1.0	-49.86	310.51	-0.48	-50.34
CC(C(=O)N(C)C)S(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077013	0	34	-1.0	-59.73	300.02	-2.61	-62.34
O=S(=O)(CCCCF)[N-]C1=NN=C(C2CC2)O1	REAL250005077014	0	30	-1.0	-49.37	278.04	-1.62	-50.99
COC(C)CS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077015	0	31	-1.0	-52.54	280.78	-3.08	-55.62
C#CCCCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077016	0	29	-1.0	-51.10	277.23	-1.24	-52.34
C=CCCCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077017	0	31	-1.0	-49.72	284.26	-1.20	-50.92
CCC(CS(=O)(=O)[N-]C1=NN=C(C2CC2)O1)OC	REAL250005077018	0	34	-1.0	-54.07	295.77	-2.14	-56.21
O=S(=O)(CCOCC1CC1)[N-]C1=NN=C(C2CC2)O1	REAL250005077019	0	35	-1.0	-47.61	315.65	-1.71	-49.32
COC(CS(=O)(=O)[N-]C1=NN=C(C2CC2)O1)C1CC1	REAL250005077020	0	35	-1.0	-52.04	308.03	-1.69	-53.73
COC(CS(=O)(=O)[N-]C1=NN=C(C2CC2)O1)C(C)C	REAL250005077021	0	37	-1.0	-52.37	314.73	-1.86	-54.23
CC(F)(F)CCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077022	0	30	-1.0	-48.99	282.56	-1.62	-50.61
O=S(=O)(CC1(F)CC1)[N-]C1=NN=C(C2CC2)O1	REAL250005077023	0	28	-1.0	-54.07	265.37	-1.72	-55.79
CCOCCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077024	0	31	-1.0	-47.53	283.97	-3.29	-50.82
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077025	0	28	-1.0	-47.98	264.62	-2.06	-50.04
CC(CS(=O)(=O)[N-]C1=NN=C(C2CC2)O1)C1CC1	REAL250005077026	0	34	-1.0	-50.05	295.34	-0.34	-50.39
CC(C)(CF)CS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL250005077027	0	33	-1.0	-49.68	284.84	-1.06	-50.74
O=S(=O)([N-]C1=NN=C(C2CC2)O1)C1(C(F)F)CC1	REAL250005077028	0	28	-1.0	-56.55	266.73	-1.05	-57.60
O=S(=O)(CC1CC(F)C1)[N-]C1=NN=C(C2CC2)O1	REAL250005077029	0	31	-1.0	-52.76	283.29	-1.14	-53.90
CC1CC(C)(CS(=O)(=O)[N-]C2=NN=C(C3CC3)O2)C1	REAL250005077030	0	37	-1.0	-51.24	311.07	-0.04	-51.28
CC(C)C1CC(CS(=O)(=O)[N-]C2=NN=C(C3CC3)O2)C1	REAL250005077031	0	40	-1.0	-51.33	335.21	0.60	-50.73
CCCC1=NN=C([N-]S(=O)(=O)C=CC2=CC=CC=C2)O1	REAL250005077032	0	34	-1.0	-49.26	308.03	0.02	-49.24
CCCC1=NN=C([N-]S(=O)(=O)C2CCCCC2)O1	REAL250005077033	0	36	-1.0	-50.04	301.48	-0.73	-50.77
CCCC1=NN=C([N-]S(=O)(=O)CC2=CC=C(F)C=C2)O1	REAL250005077034	0	33	-1.0	-47.91	306.36	-0.37	-48.28
CCCC1=NN=C([N-]S(=O)(=O)CCC2=CC=CC=C2)O1	REAL250005077035	0	36	-1.0	-48.88	321.45	0.34	-48.54
CCCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC(F)=C2)O1	REAL250005077036	0	33	-1.0	-49.71	306.36	-0.38	-50.09
CCCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2F)O1	REAL250005077037	0	33	-1.0	-53.32	305.28	-0.41	-53.73
CCCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC(C)=C2)O1	REAL250005077038	0	36	-1.0	-51.16	321.36	0.23	-50.93
CCCC1=NN=C([N-]S(=O)(=O)CCC2CC2)O1	REAL250005077039	0	33	-1.0	-48.22	293.16	-1.12	-49.34
CCCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2)O1	REAL250005077040	0	33	-1.0	-50.84	299.94	-0.44	-51.28
CCCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2C)O1	REAL250005077041	0	36	-1.0	-50.90	314.29	0.21	-50.69
CCCCCCCS(=O)(=O)[N-]C1=NN=C(CCC)O1	REAL250005077042	0	41	-1.0	-48.10	347.54	0.44	-47.66
CCCC1=NN=C([N-]S(=O)(=O)CCCC(C)C)O1	REAL250005077043	0	38	-1.0	-48.50	322.11	-0.61	-49.11
CCCC1=NN=C([N-]S(=O)(=O)C(C)C(=O)N(C)C)O1	REAL250005077044	0	36	-1.0	-59.30	311.58	-3.21	-62.51
CCCC1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005077045	0	32	-1.0	-48.01	289.63	-1.76	-49.77
CCCC1=NN=C([N-]S(=O)(=O)CC(C)OC)O1	REAL250005077046	0	33	-1.0	-50.84	292.83	-3.43	-54.27
C#CCCCS(=O)(=O)[N-]C1=NN=C(CCC)O1	REAL250005077047	0	31	-1.0	-49.88	288.82	-1.38	-51.26
C=CCCCS(=O)(=O)[N-]C1=NN=C(CCC)O1	REAL250005077048	0	33	-1.0	-48.40	295.85	-1.34	-49.74
CCCC1=NN=C([N-]S(=O)(=O)CC(CC)OC)O1	REAL250005077049	0	36	-1.0	-52.67	307.36	-2.27	-54.94
CCCC1=NN=C([N-]S(=O)(=O)CCOCC2CC2)O1	REAL250005077050	0	37	-1.0	-46.17	327.24	-1.86	-48.03
CCCC1=NN=C([N-]S(=O)(=O)CC(OC)C2CC2)O1	REAL250005077051	0	37	-1.0	-50.07	318.01	-1.69	-51.76
CCCC1=NN=C([N-]S(=O)(=O)CC(OC)C(C)C)O1	REAL250005077052	0	39	-1.0	-50.97	326.34	-2.00	-52.97
CCCC1=NN=C([N-]S(=O)(=O)CCC(C)(F)F)O1	REAL250005077053	0	32	-1.0	-47.60	294.16	-1.76	-49.36
CCCC1=NN=C([N-]S(=O)(=O)CC2(F)CC2)O1	REAL250005077054	0	30	-1.0	-52.70	276.96	-1.85	-54.55
CCCC1=NN=C([N-]S(=O)(=O)CCOCC)O1	REAL250005077055	0	33	-1.0	-46.11	295.57	-3.43	-49.54
CCCC1=NN=C([N-]S(=O)(=O)C(C#N)CC)O1	REAL250005077056	0	30	-1.0	-46.77	276.61	-2.20	-48.97
CCCC1=NN=C([N-]S(=O)(=O)CC(C)C2CC2)O1	REAL250005077057	0	36	-1.0	-48.59	306.93	-0.48	-49.07
CCCC1=NN=C([N-]S(=O)(=O)CC(C)(C)CF)O1	REAL250005077058	0	35	-1.0	-48.31	296.44	-1.19	-49.50
CCCC1=NN=C([N-]S(=O)(=O)C2(C(F)F)CC2)O1	REAL250005077059	0	30	-1.0	-45.07	279.57	-1.56	-46.63
CCCC1=NN=C([N-]S(=O)(=O)CC2CC(F)C2)O1	REAL250005077060	0	33	-1.0	-48.58	294.92	-1.29	-49.87
CCCC1=NN=C([N-]S(=O)(=O)CC2(C)CC(C)C2)O1	REAL250005077061	0	39	-1.0	-49.86	322.66	-0.17	-50.03
COCCS(=O)(=O)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077062	0	24	-1.0	-37.21	250.18	-5.48	-42.69
O=S(=O)([N-]C1=NN=C(C(F)(F)F)O1)C1CCCCC1	REAL250005077063	0	30	-1.0	-40.54	277.95	-1.83	-42.37
O=S(=O)(CCC1CC1)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077064	0	27	-1.0	-39.19	269.63	-2.21	-41.40
CCCS(=O)(=O)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077065	0	23	-1.0	-39.16	238.01	-3.77	-42.93
O=S(=O)(CCCCF)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077066	0	26	-1.0	-39.20	266.10	-2.85	-42.05
COC(C)CS(=O)(=O)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077067	0	27	-1.0	-41.88	268.84	-4.30	-46.18
C#CCCCS(=O)(=O)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077068	0	25	-1.0	-40.82	265.29	-2.47	-43.29
C=CCCCS(=O)(=O)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077069	0	27	-1.0	-39.34	272.32	-2.42	-41.76
O=S(=O)(CC1(F)CC1)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077070	0	24	-1.0	-43.34	253.43	-2.95	-46.29
CCOCCS(=O)(=O)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077071	0	27	-1.0	-37.36	272.04	-4.51	-41.87
O=S(=O)(CC1CC1)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077072	0	24	-1.0	-39.99	248.10	-3.00	-42.99
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(C(F)(F)F)O1	REAL250005077073	0	24	-1.0	-38.05	252.68	-3.29	-41.34
CC(CS(=O)(=O)[N-]C1=NN=C(C(F)(F)F)O1)C1CC1	REAL250005077074	0	30	-1.0	-39.28	283.41	-1.57	-40.85
CCS(=O)(=O)[N-]C1=NN=C(CC2=CC=CC(OC)=C2)O1	REAL250005077075	0	34	-1.0	-51.22	307.97	-1.94	-53.16
COC1=CC=CC(CC2=NN=C([N-]S(C)(=O)=O)O2)=C1	REAL250005077076	0	31	-1.0	-50.49	286.50	-2.84	-53.33
CCCCC1=NN=C([N-]S(=O)(=O)CCOC)O1	REAL250005077077	0	33	-1.0	-45.99	295.21	-3.62	-49.61
CCCCC1=NN=C([N-]S(=O)(=O)C2CCCCC2)O1	REAL250005077078	0	39	-1.0	-49.95	322.98	0.04	-49.91
CCCCC1=NN=C([N-]S(=O)(=O)CCC2CC2)O1	REAL250005077079	0	36	-1.0	-48.13	314.66	-0.34	-48.47
CCCCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2)O1	REAL250005077080	0	36	-1.0	-50.72	321.44	0.33	-50.39
CCCCC1=NN=C([N-]S(=O)(=O)CCCC(C)C)O1	REAL250005077081	0	41	-1.0	-48.33	343.60	0.16	-48.17
CCCCC1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005077082	0	35	-1.0	-47.90	311.13	-0.99	-48.89
CCCCC1=NN=C([N-]S(=O)(=O)CC(C)OC)O1	REAL250005077083	0	36	-1.0	-50.75	314.32	-2.66	-53.41
C#CCCCS(=O)(=O)[N-]C1=NN=C(CCCC)O1	REAL250005077084	0	34	-1.0	-49.69	310.32	-0.61	-50.30
C=CCCCS(=O)(=O)[N-]C1=NN=C(CCCC)O1	REAL250005077085	0	36	-1.0	-48.27	317.35	-0.57	-48.84
CCCCC1=NN=C([N-]S(=O)(=O)CC(CC)OC)O1	REAL250005077086	0	39	-1.0	-52.55	328.86	-1.49	-54.04
CCCCC1=NN=C([N-]S(=O)(=O)CCC(C)(F)F)O1	REAL250005077087	0	35	-1.0	-47.50	315.65	-0.99	-48.49
CCCCC1=NN=C([N-]S(=O)(=O)CC2(F)CC2)O1	REAL250005077088	0	33	-1.0	-52.59	298.46	-1.08	-53.67
CCCCC1=NN=C([N-]S(=O)(=O)CCOCC)O1	REAL250005077089	0	36	-1.0	-46.08	317.07	-2.66	-48.74
CCCCC1=NN=C([N-]S(=O)(=O)CC2CC2)O1	REAL250005077090	0	33	-1.0	-49.14	293.13	-1.13	-50.27
CCCCC1=NN=C([N-]S(=O)(=O)C(C#N)CC)O1	REAL250005077091	0	33	-1.0	-46.65	298.11	-1.43	-48.08
CCCCC1=NN=C([N-]S(=O)(=O)CC(C)C2CC2)O1	REAL250005077092	0	39	-1.0	-48.53	328.43	0.30	-48.23
CCCCC1=NN=C([N-]S(=O)(=O)CC(C)(C)CF)O1	REAL250005077093	0	38	-1.0	-48.24	317.94	-0.42	-48.66
CCCCC1=NN=C([N-]S(=O)(=O)C2(C(F)F)CC2)O1	REAL250005077094	0	33	-1.0	-44.88	301.06	-0.78	-45.66
CCCCC1=NN=C([N-]S(=O)(=O)CC2CC(F)C2)O1	REAL250005077095	0	36	-1.0	-48.48	316.42	-0.50	-48.98
CCS(=O)(=O)[N-]C1=NN=C(CC2=CC=C(F)C=C2)O1	REAL250005077096	0	30	-1.0	-47.66	284.87	-1.17	-48.83
CCCS(=O)(=O)[N-]C1=NN=C(CC2=CC=C(F)C=C2)O1	REAL250005077097	0	33	-1.0	-47.74	306.36	-0.38	-48.12
CS(=O)(=O)[N-]C1=NN=C(CC2=CC=C(F)C=C2)O1	REAL250005077098	0	27	-1.0	-46.90	263.40	-2.07	-48.97
CS(=O)(=O)[N-]C1=NN=C(CC2=CC=C(Cl)C=C2)O1	REAL250005077099	0	27	-1.0	-46.77	273.72	-1.61	-48.38
CCS(=O)(=O)[N-]C1=NN=C(C2CC3=CC=CC=C3O2)O1	REAL250005077100	0	32	-1.0	-51.38	291.99	-2.03	-53.41
CS(=O)(=O)[N-]C1=NN=C(C2CC3=CC=CC=C3O2)O1	REAL250005077101	0	29	-1.0	-50.54	270.53	-2.93	-53.47
COC1=CC=C(CCC2=NN=C([N-]S(C)(=O)=O)O2)C=C1	REAL250005077102	0	34	-1.0	-48.38	307.99	-2.05	-50.43
CS(=O)(=O)[N-]C1=NN=C(C2COC3=CC=CC=C3O2)O1	REAL250005077103	0	30	-1.0	-48.16	279.82	-3.65	-51.81
CCS(=O)(=O)[N-]C1=NN=C(CCC2=CC=CC=C2)O1	REAL250005077104	0	33	-1.0	-47.93	299.95	-0.45	-48.38
CCCS(=O)(=O)[N-]C1=NN=C(CCC2=CC=CC=C2)O1	REAL250005077105	0	36	-1.0	-47.96	321.45	0.34	-47.62
CS(=O)(=O)[N-]C1=NN=C(CCC2=CC=CC=C2)O1	REAL250005077106	0	30	-1.0	-47.28	278.48	-1.34	-48.62
COCCS(=O)(=O)[N-]C1=NN=C(CC(F)(F)F)O1	REAL250005077107	0	27	-1.0	-44.64	271.22	-4.77	-49.41
O=S(=O)(CC1CC1)[N-]C1=NN=C(CC(F)(F)F)O1	REAL250005077108	0	27	-1.0	-47.54	269.13	-2.28	-49.82
COCCS(=O)(=O)[N-]C1=NN=C(CC(C)C)O1	REAL250005077109	0	33	-1.0	-46.91	292.10	-3.85	-50.76
CC(C)CC1=NN=C([N-]S(=O)(=O)C2CCCCC2)O1	REAL250005077110	0	39	-1.0	-50.62	319.72	-0.04	-50.66
CC(C)CC1=NN=C([N-]S(=O)(=O)CCC2CC2)O1	REAL250005077111	0	36	-1.0	-48.84	311.40	-0.42	-49.26
CC(C)CC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2)O1	REAL250005077112	0	36	-1.0	-51.76	318.37	0.11	-51.65
CC(C)CCCS(=O)(=O)[N-]C1=NN=C(CC(C)C)O1	REAL250005077113	0	41	-1.0	-49.35	340.49	-0.07	-49.42
CC(C)CC1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005077114	0	35	-1.0	-48.60	307.88	-1.07	-49.67
COC(C)CS(=O)(=O)[N-]C1=NN=C(CC(C)C)O1	REAL250005077115	0	36	-1.0	-51.75	311.21	-2.88	-54.63
C#CCCCS(=O)(=O)[N-]C1=NN=C(CC(C)C)O1	REAL250005077116	0	34	-1.0	-50.69	307.21	-0.83	-51.52
C=CCCCS(=O)(=O)[N-]C1=NN=C(CC(C)C)O1	REAL250005077117	0	36	-1.0	-49.25	314.24	-0.79	-50.04
CCC(CS(=O)(=O)[N-]C1=NN=C(CC(C)C)O1)OC	REAL250005077118	0	39	-1.0	-50.60	330.20	-1.96	-52.56
CC(C)CC1=NN=C([N-]S(=O)(=O)CCC(C)(F)F)O1	REAL250005077119	0	35	-1.0	-48.20	312.41	-1.07	-49.27
CC(C)CC1=NN=C([N-]S(=O)(=O)CC2(F)CC2)O1	REAL250005077120	0	33	-1.0	-53.28	295.21	-1.16	-54.44
CCOCCS(=O)(=O)[N-]C1=NN=C(CC(C)C)O1	REAL250005077121	0	36	-1.0	-46.74	313.82	-2.74	-49.48
CC(C)CC1=NN=C([N-]S(=O)(=O)CC2CC2)O1	REAL250005077122	0	33	-1.0	-49.86	289.87	-1.22	-51.08
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(CC(C)C)O1	REAL250005077123	0	33	-1.0	-47.29	294.85	-1.51	-48.80
CC(C)CC1=NN=C([N-]S(=O)(=O)CC(C)C2CC2)O1	REAL250005077124	0	39	-1.0	-49.22	325.18	0.21	-49.01
CC(C)CC1=NN=C([N-]S(=O)(=O)CC(C)(C)CF)O1	REAL250005077125	0	38	-1.0	-48.85	314.69	-0.50	-49.35
CC(C)CC1=NN=C([N-]S(=O)(=O)C2(C(F)F)CC2)O1	REAL250005077126	0	33	-1.0	-45.53	297.81	-0.87	-46.40
CC(C)CC1=NN=C([N-]S(=O)(=O)CC2CC(F)C2)O1	REAL250005077127	0	36	-1.0	-49.20	313.17	-0.60	-49.80
COCCS(=O)(=O)[N-]C1=NN=C(CC(C)(C)C)O1	REAL250005077128	0	36	-1.0	-47.56	308.91	-3.28	-50.84
CC(C)(C)CC1=NN=C([N-]S(=O)(=O)CCC2CC2)O1	REAL250005077129	0	39	-1.0	-49.73	328.40	0.00	-49.73
CCCS(=O)(=O)[N-]C1=NN=C(CC(C)(C)C)O1	REAL250005077130	0	35	-1.0	-49.86	296.73	-1.57	-51.43
CC(C)(C)CC1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005077131	0	38	-1.0	-49.44	324.83	-0.65	-50.09
COC(C)CS(=O)(=O)[N-]C1=NN=C(CC(C)(C)C)O1	REAL250005077132	0	39	-1.0	-52.41	328.02	-2.32	-54.73
C#CCCCS(=O)(=O)[N-]C1=NN=C(CC(C)(C)C)O1	REAL250005077133	0	37	-1.0	-51.34	324.01	-0.27	-51.61
C=CCCCS(=O)(=O)[N-]C1=NN=C(CC(C)(C)C)O1	REAL250005077134	0	39	-1.0	-49.89	331.04	-0.22	-50.11
CC(C)(C)CC1=NN=C([N-]S(=O)(=O)CC2(F)CC2)O1	REAL250005077135	0	36	-1.0	-54.21	312.21	-0.74	-54.95
CCOCCS(=O)(=O)[N-]C1=NN=C(CC(C)(C)C)O1	REAL250005077136	0	39	-1.0	-47.64	330.76	-2.31	-49.95
CC(C)(C)CC1=NN=C([N-]S(=O)(=O)CC2CC2)O1	REAL250005077137	0	36	-1.0	-50.85	306.87	-0.79	-51.64
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(CC(C)(C)C)O1	REAL250005077138	0	36	-1.0	-48.12	311.85	-1.09	-49.21
COCCS(=O)(=O)[N-]C1=NN=C(CCC(C)C)O1	REAL250005077139	0	36	-1.0	-45.77	312.78	-3.10	-48.87
CC(C)CCC1=NN=C([N-]S(=O)(=O)CCC2CC2)O1	REAL250005077140	0	39	-1.0	-47.91	332.22	0.17	-47.74
CCCS(=O)(=O)[N-]C1=NN=C(CCC(C)C)O1	REAL250005077141	0	35	-1.0	-48.05	300.61	-1.38	-49.43
CC(C)CCC1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005077142	0	38	-1.0	-47.72	328.70	-0.46	-48.18
COC(C)CS(=O)(=O)[N-]C1=NN=C(CCC(C)C)O1	REAL250005077143	0	39	-1.0	-50.53	331.89	-2.13	-52.66
C#CCCCS(=O)(=O)[N-]C1=NN=C(CCC(C)C)O1	REAL250005077144	0	37	-1.0	-49.54	327.89	-0.08	-49.62
C=CCCCS(=O)(=O)[N-]C1=NN=C(CCC(C)C)O1	REAL250005077145	0	39	-1.0	-48.08	334.92	-0.04	-48.12
CC(C)CCC1=NN=C([N-]S(=O)(=O)CC2(F)CC2)O1	REAL250005077146	0	36	-1.0	-52.34	316.03	-0.56	-52.90
CCOCCS(=O)(=O)[N-]C1=NN=C(CCC(C)C)O1	REAL250005077147	0	39	-1.0	-45.85	334.64	-2.13	-47.98
CC(C)CCC1=NN=C([N-]S(=O)(=O)CC2CC2)O1	REAL250005077148	0	36	-1.0	-48.95	310.70	-0.61	-49.56
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(CCC(C)C)O1	REAL250005077149	0	36	-1.0	-46.49	315.67	-0.90	-47.39
CCS(=O)(=O)[N-]C1=NN=C(CC(C)CC(C)(C)C)O1	REAL250005077150	0	41	-1.0	-48.86	328.63	-0.52	-49.38
CC(CC1=NN=C([N-]S(C)(=O)=O)O1)CC(C)(C)C	REAL250005077151	0	38	-1.0	-48.08	307.16	-1.42	-49.50
COCCS(=O)(=O)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077152	0	32	-1.0	-49.07	287.86	-5.71	-54.78
O=S(=O)(CCC1CC1)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077153	0	35	-1.0	-51.56	307.12	-2.40	-53.96
CCCS(=O)(=O)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077154	0	31	-1.0	-51.44	275.68	-4.00	-55.44
O=S(=O)(CCCCF)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077155	0	34	-1.0	-51.11	303.77	-3.08	-54.19
COC(C)CS(=O)(=O)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077156	0	35	-1.0	-54.11	306.52	-4.53	-58.64
C#CCCCS(=O)(=O)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077157	0	33	-1.0	-52.89	302.97	-2.70	-55.59
C=CCCCS(=O)(=O)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077158	0	35	-1.0	-51.41	309.99	-2.65	-54.06
O=S(=O)(CC1(F)CC1)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077159	0	32	-1.0	-56.02	290.93	-3.15	-59.17
CCOCCS(=O)(=O)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077160	0	35	-1.0	-49.12	309.71	-4.75	-53.87
O=S(=O)(CC1CC1)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077161	0	32	-1.0	-52.60	285.59	-3.21	-55.81
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(C2CCCO2)O1	REAL250005077162	0	32	-1.0	-49.91	290.75	-3.52	-53.43
CCS(=O)(=O)[N-]C1=NN=C(CC2CCCCC2)O1	REAL250005077163	0	36	-1.0	-49.41	299.92	-0.89	-50.30
CCCS(=O)(=O)[N-]C1=NN=C(CC2CCCCC2)O1	REAL250005077164	0	39	-1.0	-49.47	321.42	-0.10	-49.57
CS(=O)(=O)[N-]C1=NN=C(CC2CCCCC2)O1	REAL250005077165	0	33	-1.0	-48.68	278.45	-1.80	-50.48
O=S(=O)(CC1CC1)[N-]C1=NN=C(CC2CCCCC2)O1	REAL250005077166	0	40	-1.0	-50.38	331.50	0.67	-49.71
COCCS(=O)(=O)[N-]C1=NN=C(CC2CCCC2)O1	REAL250005077167	0	37	-1.0	-46.86	317.20	-2.54	-49.40
O=S(=O)(CCC1CC1)[N-]C1=NN=C(CC2CCCC2)O1	REAL250005077168	0	40	-1.0	-49.03	336.64	0.74	-48.29
CCS(=O)(=O)[N-]C1=NN=C(CC2CCCC2)O1	REAL250005077169	0	33	-1.0	-49.10	283.53	-1.62	-50.72
CCCS(=O)(=O)[N-]C1=NN=C(CC2CCCC2)O1	REAL250005077170	0	36	-1.0	-49.13	305.03	-0.83	-49.96
C#CCCCS(=O)(=O)[N-]C1=NN=C(CC2CCCC2)O1	REAL250005077171	0	38	-1.0	-50.56	332.31	0.47	-50.09
C=CCCCS(=O)(=O)[N-]C1=NN=C(CC2CCCC2)O1	REAL250005077172	0	40	-1.0	-49.15	339.34	0.51	-48.64
O=S(=O)(CC1CC1)[N-]C1=NN=C(CC2CCCC2)O1	REAL250005077173	0	37	-1.0	-50.08	315.11	-0.06	-50.14
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(CC2CCCC2)O1	REAL250005077174	0	37	-1.0	-47.56	319.70	-0.35	-47.91
CS(=O)(=O)[N-]C1=NN=C(CCCC2=CC=CS2)O1	REAL250005077175	0	30	-1.0	-48.90	290.21	-1.48	-50.38
CCS(=O)(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)O1	REAL250005077176	0	36	-1.0	-54.02	310.31	-0.07	-54.09
CC(C)(C1=NN=C([N-]S(C)(=O)=O)O1)C1=CC=CC=C1	REAL250005077177	0	33	-1.0	-53.24	288.84	-0.95	-54.19
CS(=O)(=O)[N-]C1=NN=C(CC2=CC=CC=C2F)O1	REAL250005077178	0	27	-1.0	-51.35	262.56	-2.09	-53.44
CCS(=O)(=O)[N-]C1=NN=C(CCOC2=CC=CC=C2)O1	REAL250005077179	0	34	-1.0	-47.35	308.42	-1.63	-48.98
CS(=O)(=O)[N-]C1=NN=C(CCOC2=CC=CC=C2)O1	REAL250005077180	0	31	-1.0	-46.77	286.96	-2.54	-49.31
CCC(C1=NN=C([N-]S(=O)(=O)CC)O1)C1=CC=CC=C1	REAL250005077181	0	36	-1.0	-50.52	314.81	0.17	-50.35
CCC(C1=NN=C([N-]S(C)(=O)=O)O1)C1=CC=CC=C1	REAL250005077182	0	33	-1.0	-48.92	292.95	-0.74	-49.66
CCOCC1=NN=C([N-]S(=O)(=O)CCOC)O1	REAL250005077183	0	31	-1.0	-47.33	286.25	-5.91	-53.24
CCOCC1=NN=C([N-]S(=O)(=O)C2CCCCC2)O1	REAL250005077184	0	37	-1.0	-51.25	314.01	-2.25	-53.50
CCOCC1=NN=C([N-]S(=O)(=O)CCC2CC2)O1	REAL250005077185	0	34	-1.0	-49.43	305.69	-2.62	-52.05
CCOCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2)O1	REAL250005077186	0	34	-1.0	-52.01	312.48	-1.96	-53.97
CCOCC1=NN=C([N-]S(=O)(=O)CCCC(C)C)O1	REAL250005077187	0	39	-1.0	-49.62	334.64	-2.13	-51.75
CCOCC1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005077188	0	33	-1.0	-49.27	302.16	-3.28	-52.55
CCOCC1=NN=C([N-]S(=O)(=O)CC(C)OC)O1	REAL250005077189	0	34	-1.0	-52.11	305.36	-4.95	-57.06
C#CCCCS(=O)(=O)[N-]C1=NN=C(COCC)O1	REAL250005077190	0	32	-1.0	-51.03	301.35	-2.90	-53.93
C=CCCCS(=O)(=O)[N-]C1=NN=C(COCC)O1	REAL250005077191	0	34	-1.0	-49.58	308.38	-2.86	-52.44
CCOCC1=NN=C([N-]S(=O)(=O)CC(CC)OC)O1	REAL250005077192	0	37	-1.0	-53.88	319.89	-3.78	-57.66
CCOCC1=NN=C([N-]S(=O)(=O)CCC(C)(F)F)O1	REAL250005077193	0	33	-1.0	-48.84	306.69	-3.28	-52.12
CCOCC1=NN=C([N-]S(=O)(=O)CC2(F)CC2)O1	REAL250005077194	0	31	-1.0	-53.81	289.50	-3.37	-57.18
CCOCCS(=O)(=O)[N-]C1=NN=C(COCC)O1	REAL250005077195	0	34	-1.0	-47.40	308.10	-4.95	-52.35
CCOCC1=NN=C([N-]S(=O)(=O)CC2CC2)O1	REAL250005077196	0	31	-1.0	-50.47	284.16	-3.43	-53.90
CCOCC1=NN=C([N-]S(=O)(=O)C(C#N)CC)O1	REAL250005077197	0	31	-1.0	-48.02	289.19	-3.73	-51.75
CCOCC1=NN=C([N-]S(=O)(=O)CC(C)C2CC2)O1	REAL250005077198	0	37	-1.0	-49.87	319.47	-1.99	-51.86
CCOCC1=NN=C([N-]S(=O)(=O)CC(C)(C)CF)O1	REAL250005077199	0	36	-1.0	-49.54	308.97	-2.71	-52.25
CCOCC1=NN=C([N-]S(=O)(=O)C2(C(F)F)CC2)O1	REAL250005077200	0	31	-1.0	-46.23	292.10	-3.07	-49.30
CCOCC1=NN=C([N-]S(=O)(=O)CC2CC(F)C2)O1	REAL250005077201	0	34	-1.0	-49.87	307.45	-2.80	-52.67
CS(=O)(=O)[N-]C1=NN=C(CC2=CC=CC=C2Cl)O1	REAL250005077202	0	27	-1.0	-49.29	269.34	-1.55	-50.84
COCCS(=O)(=O)[N-]C1=NN=C(C2CCCCC2)O1	REAL250005077203	0	37	-1.0	-46.60	314.66	-2.66	-49.26
O=S(=O)(CCC1CC1)[N-]C1=NN=C(C2CCCCC2)O1	REAL250005077204	0	40	-1.0	-48.79	334.10	0.63	-48.16
CCS(=O)(=O)[N-]C1=NN=C(C2CCCCC2)O1	REAL250005077205	0	33	-1.0	-48.91	280.99	-1.73	-50.64
CCCS(=O)(=O)[N-]C1=NN=C(C2CCCCC2)O1	REAL250005077206	0	36	-1.0	-48.97	302.49	-0.94	-49.91
C#CCCCS(=O)(=O)[N-]C1=NN=C(C2CCCCC2)O1	REAL250005077207	0	38	-1.0	-50.39	329.77	0.36	-50.03
C=CCCCS(=O)(=O)[N-]C1=NN=C(C2CCCCC2)O1	REAL250005077208	0	40	-1.0	-48.93	336.80	0.40	-48.53
O=S(=O)(CC1CC1)[N-]C1=NN=C(C2CCCCC2)O1	REAL250005077209	0	37	-1.0	-49.85	312.58	-0.17	-50.02
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(C2CCCCC2)O1	REAL250005077210	0	37	-1.0	-47.41	317.55	-0.46	-47.87
COCCS(=O)(=O)[N-]C1=NN=C(C(C)(C)C)O1	REAL250005077211	0	33	-1.0	-47.49	292.57	-4.02	-51.51
CC(C)(C)C1=NN=C([N-]S(=O)(=O)C2CCCCC2)O1	REAL250005077212	0	39	-1.0	-51.62	320.33	-0.36	-51.98
CC(C)(C)C1=NN=C([N-]S(=O)(=O)CCC2CC2)O1	REAL250005077213	0	36	-1.0	-49.70	312.01	-0.74	-50.44
CC(C)(C)C1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2)O1	REAL250005077214	0	36	-1.0	-52.30	318.80	-0.06	-52.36
CC(C)CCCS(=O)(=O)[N-]C1=NN=C(C(C)(C)C)O1	REAL250005077215	0	41	-1.0	-49.95	340.96	-0.24	-50.19
CC(C)(C)C1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005077216	0	35	-1.0	-49.43	308.49	-1.39	-50.82
COC(C)CS(=O)(=O)[N-]C1=NN=C(C(C)(C)C)O1	REAL250005077217	0	36	-1.0	-52.40	311.68	-3.06	-55.46
C#CCCCS(=O)(=O)[N-]C1=NN=C(C(C)(C)C)O1	REAL250005077218	0	34	-1.0	-51.26	307.68	-1.01	-52.27
C=CCCCS(=O)(=O)[N-]C1=NN=C(C(C)(C)C)O1	REAL250005077219	0	36	-1.0	-49.87	314.71	-0.97	-50.84
CCC(CS(=O)(=O)[N-]C1=NN=C(C(C)(C)C)O1)OC	REAL250005077220	0	39	-1.0	-52.00	328.02	-2.17	-54.17
CC(C)(C)C1=NN=C([N-]S(=O)(=O)CCC(C)(F)F)O1	REAL250005077221	0	35	-1.0	-49.02	313.01	-1.39	-50.41
CC(C)(C)C1=NN=C([N-]S(=O)(=O)CC2(F)CC2)O1	REAL250005077222	0	33	-1.0	-54.21	295.82	-1.48	-55.69
CCOCCS(=O)(=O)[N-]C1=NN=C(C(C)(C)C)O1	REAL250005077223	0	36	-1.0	-47.61	314.43	-3.06	-50.67
CC(C)(C)C1=NN=C([N-]S(=O)(=O)CC2CC2)O1	REAL250005077224	0	33	-1.0	-50.75	290.49	-1.53	-52.28
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(C(C)(C)C)O1	REAL250005077225	0	33	-1.0	-48.01	295.07	-1.83	-49.84
CC(CS(=O)(=O)[N-]C1=NN=C(C(C)(C)C)O1)C1CC1	REAL250005077226	0	39	-1.0	-50.10	325.79	-0.10	-50.20
CC(C)(C)C1=NN=C([N-]S(=O)(=O)CC(C)(C)CF)O1	REAL250005077227	0	38	-1.0	-49.75	315.30	-0.82	-50.57
CC(C)(C)C1=NN=C([N-]S(=O)(=O)C2(C(F)F)CC2)O1	REAL250005077228	0	33	-1.0	-50.64	295.38	-0.85	-51.49
CC(C)(C)C1=NN=C([N-]S(=O)(=O)CC2CC(F)C2)O1	REAL250005077229	0	36	-1.0	-52.85	313.74	-0.91	-53.76
COCCS(=O)(=O)[N-]C1=NN=C(CC2=CC=CC=C2)O1	REAL250005077230	0	34	-1.0	-46.91	312.12	-2.15	-49.06
CCS(=O)(=O)[N-]C1=NN=C(CC2=CC=CC=C2)O1	REAL250005077231	0	30	-1.0	-49.06	278.45	-1.23	-50.29
CCCS(=O)(=O)[N-]C1=NN=C(CC2=CC=CC=C2)O1	REAL250005077232	0	33	-1.0	-49.12	299.95	-0.44	-49.56
CS(=O)(=O)[N-]C1=NN=C(CC2=CC=CC=C2)O1	REAL250005077233	0	27	-1.0	-48.13	256.98	-2.13	-50.26
O=S(=O)(CC1CC1)[N-]C1=NN=C(CC2=CC=CC=C2)O1	REAL250005077234	0	34	-1.0	-50.04	310.04	0.33	-49.71
CCC1=NN=C([N-]S(=O)(=O)C=CC2=CC=CC=C2)O1	REAL250005077235	0	31	-1.0	-49.59	286.53	-0.76	-50.35
CCC1=NN=C([N-]S(=O)(=O)C2CCCCC2)O1	REAL250005077236	0	33	-1.0	-50.32	279.98	-1.50	-51.82
CCC1=NN=C([N-]S(=O)(=O)CC2=CC=C(F)C=C2)O1	REAL250005077237	0	30	-1.0	-48.18	284.86	-1.14	-49.32
CCC1=NN=C([N-]S(=O)(=O)CCC2=CC=CC=C2)O1	REAL250005077238	0	33	-1.0	-49.14	299.95	-0.43	-49.57
CCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC(F)=C2)O1	REAL250005077239	0	30	-1.0	-50.00	284.86	-1.14	-51.14
CCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2F)O1	REAL250005077240	0	30	-1.0	-53.60	283.78	-1.18	-54.78
CCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC(C)=C2)O1	REAL250005077241	0	33	-1.0	-51.44	299.86	-0.54	-51.98
CCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2)O1	REAL250005077242	0	30	-1.0	-51.08	278.44	-1.21	-52.29
CCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2C)O1	REAL250005077243	0	33	-1.0	-51.09	292.79	-0.56	-51.65
CCC1=NN=C([N-]S(=O)(=O)CC2=CC=C(C)C(F)=C2)O1	REAL250005077244	0	33	-1.0	-50.33	305.18	-0.50	-50.83
CCC1=NN=C([N-]S(=O)(=O)CC2=CC(C)=CC(C)=C2)O1	REAL250005077245	0	36	-1.0	-51.79	321.27	0.11	-51.68
CCCCCCCS(=O)(=O)[N-]C1=NN=C(CC)O1	REAL250005077246	0	38	-1.0	-48.50	326.04	-0.33	-48.83
CCC1=NN=C([N-]S(=O)(=O)CCCC(C)C)O1	REAL250005077247	0	35	-1.0	-48.73	300.61	-1.38	-50.11
CCC1=NN=C([N-]S(=O)(=O)CC2=CC=C(C)C=C2F)O1	REAL250005077248	0	33	-1.0	-53.31	305.18	-0.50	-53.81
CCC1=NN=C([N-]S(=O)(=O)C(C)C(=O)N(C)C)O1	REAL250005077249	0	33	-1.0	-59.59	290.08	-3.98	-63.57
CCC1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005077250	0	29	-1.0	-48.39	268.13	-2.53	-50.92
CCC1=NN=C([N-]S(=O)(=O)CC2=C(C)C=CC=C2C)O1	REAL250005077251	0	36	-1.0	-51.12	308.41	0.03	-51.09
CCC1=NN=C([N-]S(=O)(=O)CC(CC)OC)O1	REAL250005077252	0	33	-1.0	-50.22	290.45	-3.43	-53.65
CCC1=NN=C([N-]S(=O)(=O)CC(CC(C)C)OC)O1	REAL250005077253	0	39	-1.0	-53.18	324.56	-1.75	-54.93
CCC1=NN=C([N-]S(=O)(=O)CCOCC2CC2)O1	REAL250005077254	0	34	-1.0	-46.55	305.74	-2.63	-49.18
CCC1=NN=C([N-]S(=O)(=O)CC(OC)C2CC2)O1	REAL250005077255	0	34	-1.0	-50.48	296.93	-2.58	-53.06
CCC1=NN=C([N-]S(=O)(=O)CC(OC)C(C)C)O1	REAL250005077256	0	36	-1.0	-51.29	304.83	-2.79	-54.08
CCC1=NN=C([N-]S(=O)(=O)CCC2=CC=CC=C2F)O1	REAL250005077257	0	33	-1.0	-51.66	305.52	-0.39	-52.05
CCC1=NN=C([N-]S(=O)(=O)CCC(C)(F)F)O1	REAL250005077258	0	29	-1.0	-48.04	272.66	-2.53	-50.57
CCC1=NN=C([N-]S(=O)(=O)CCC2=CC=CC(F)=C2)O1	REAL250005077259	0	33	-1.0	-48.97	306.37	-0.36	-49.33
CCC1=NN=C([N-]S(=O)(=O)C=CC2=CC=C(F)C=C2)O1	REAL250005077260	0	31	-1.0	-47.14	292.94	-0.69	-47.83
CCC1=NN=C([N-]S(=O)(=O)CC(C)C2CC2)O1	REAL250005077261	0	33	-1.0	-48.90	285.44	-1.25	-50.15
CCC1=NN=C([N-]S(=O)(=O)CC(C)(C)CF)O1	REAL250005077262	0	32	-1.0	-48.64	274.94	-1.96	-50.60
CCC1=NN=C([N-]S(=O)(=O)C2(C(F)F)CC2)O1	REAL250005077263	0	27	-1.0	-45.34	258.07	-2.33	-47.67
CCC1=NN=C([N-]S(=O)(=O)CC2CC(F)C2)O1	REAL250005077264	0	30	-1.0	-48.89	273.42	-2.06	-50.95
CCC1=NN=C([N-]S(=O)(=O)CC2(C)CC(C)C2)O1	REAL250005077265	0	36	-1.0	-50.07	301.16	-0.94	-51.01
CCC1=NN=C([N-]S(=O)(=O)CC2CC(C(C)C)C2)O1	REAL250005077266	0	39	-1.0	-50.15	325.30	-0.31	-50.46
CCC1=NN=C([N-]S(=O)(=O)CC2=NOC(C3CC3)=N2)O1	REAL250005077267	0	32	-1.0	-53.47	301.64	-4.23	-57.70
COCCS(=O)(=O)[N-]C1=NN=C(C2CC2C)O1	REAL250005077268	0	31	-1.0	-47.90	280.61	-3.49	-51.39
CC1CC1C1=NN=C([N-]S(=O)(=O)C2CCCCC2)O1	REAL250005077269	0	37	-1.0	-51.42	311.26	0.08	-51.34
CC1CC1C1=NN=C([N-]S(=O)(=O)CCC2CC2)O1	REAL250005077270	0	34	-1.0	-50.11	300.05	-0.20	-50.31
CC1CC1C1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2)O1	REAL250005077271	0	34	-1.0	-52.77	306.83	0.47	-52.30
CC(C)CCCS(=O)(=O)[N-]C1=NN=C(C2CC2C)O1	REAL250005077272	0	39	-1.0	-50.41	329.00	0.29	-50.12
CC1CC1C1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005077273	0	33	-1.0	-49.84	296.52	-0.86	-50.70
COC(C)CS(=O)(=O)[N-]C1=NN=C(C2CC2C)O1	REAL250005077274	0	34	-1.0	-53.01	299.27	-2.31	-55.32
C#CCCCS(=O)(=O)[N-]C1=NN=C(C2CC2C)O1	REAL250005077275	0	32	-1.0	-51.66	295.72	-0.48	-52.14
C=CCCCS(=O)(=O)[N-]C1=NN=C(C2CC2C)O1	REAL250005077276	0	34	-1.0	-50.23	302.75	-0.43	-50.66
CCC(CS(=O)(=O)[N-]C1=NN=C(C2CC2C)O1)OC	REAL250005077277	0	37	-1.0	-52.40	316.05	-1.63	-54.03
CC1CC1C1=NN=C([N-]S(=O)(=O)CCC(C)(F)F)O1	REAL250005077278	0	33	-1.0	-49.50	301.04	-0.85	-50.35
CC1CC1C1=NN=C([N-]S(=O)(=O)CC2(F)CC2)O1	REAL250005077279	0	31	-1.0	-54.06	286.74	-1.04	-55.10
CCOCCS(=O)(=O)[N-]C1=NN=C(C2CC2C)O1	REAL250005077280	0	34	-1.0	-48.00	302.47	-2.52	-50.52
CC1CC1C1=NN=C([N-]S(=O)(=O)CC2CC2)O1	REAL250005077281	0	31	-1.0	-50.66	281.40	-1.10	-51.76
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(C2CC2C)O1	REAL250005077282	0	31	-1.0	-48.62	283.50	-1.30	-49.92
CC(CS(=O)(=O)[N-]C1=NN=C(C2CC2C)O1)C1CC1	REAL250005077283	0	37	-1.0	-50.54	313.82	0.43	-50.11
CC1CC1C1=NN=C([N-]S(=O)(=O)CC(C)(C)CF)O1	REAL250005077284	0	36	-1.0	-50.16	303.32	-0.29	-50.45
CC1CC1C1=NN=C([N-]S(=O)(=O)C2(C(F)F)CC2)O1	REAL250005077285	0	31	-1.0	-46.31	289.34	-0.75	-47.06
CC1CC1C1=NN=C([N-]S(=O)(=O)CC2CC(F)C2)O1	REAL250005077286	0	34	-1.0	-53.22	301.78	-0.38	-53.60
CC1CC1C1=NN=C([N-]S(=O)(=O)CC2(C)CC(C)C2)O1	REAL250005077287	0	40	-1.0	-51.26	332.44	0.63	-50.63
COCCS(=O)(=O)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077288	0	34	-1.0	-47.40	296.09	-3.27	-50.67
O=S(=O)([N-]C1=NN=C(C2CCCC2)O1)C1CCCCC1	REAL250005077289	0	40	-1.0	-51.52	323.86	0.39	-51.13
O=S(=O)(CCC1CC1)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077290	0	37	-1.0	-49.67	315.54	0.02	-49.65
CCCS(=O)(=O)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077291	0	33	-1.0	-49.73	283.92	-1.55	-51.28
O=S(=O)(CCCCF)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077292	0	36	-1.0	-49.38	312.01	-0.63	-50.01
COC(C)CS(=O)(=O)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077293	0	37	-1.0	-52.58	314.75	-2.09	-54.67
C#CCCCS(=O)(=O)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077294	0	35	-1.0	-51.22	311.20	-0.25	-51.47
C=CCCCS(=O)(=O)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077295	0	37	-1.0	-49.80	318.23	-0.21	-50.01
O=S(=O)(CC1(F)CC1)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077296	0	34	-1.0	-54.19	299.34	-0.72	-54.91
CCOCCS(=O)(=O)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077297	0	37	-1.0	-47.48	317.95	-2.30	-49.78
O=S(=O)(CC1CC1)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077298	0	34	-1.0	-50.72	294.01	-0.78	-51.50
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(C2CCCC2)O1	REAL250005077299	0	34	-1.0	-48.13	298.98	-1.07	-49.20
CC(CS(=O)(=O)[N-]C1=NN=C(C2CCCC2)O1)C1CC1	REAL250005077300	0	40	-1.0	-50.03	329.32	0.65	-49.38
COCCS(=O)(=O)[N-]C1=NN=C(C2CCC2)O1	REAL250005077301	0	31	-1.0	-47.19	278.66	-3.77	-50.96
O=S(=O)([N-]C1=NN=C(C2CCC2)O1)C1CCCCC1	REAL250005077302	0	37	-1.0	-51.27	306.42	-0.10	-51.37
O=S(=O)(CCC1CC1)[N-]C1=NN=C(C2CCC2)O1	REAL250005077303	0	34	-1.0	-49.43	298.10	-0.48	-49.91
O=S(=O)(CC1=CC=CC=C1)[N-]C1=NN=C(C2CCC2)O1	REAL250005077304	0	34	-1.0	-52.03	304.89	0.20	-51.83
CC(C)CCCS(=O)(=O)[N-]C1=NN=C(C2CCC2)O1	REAL250005077305	0	39	-1.0	-49.64	327.05	0.01	-49.63
O=S(=O)(CCCCF)[N-]C1=NN=C(C2CCC2)O1	REAL250005077306	0	33	-1.0	-49.17	294.57	-1.13	-50.30
COC(C)CS(=O)(=O)[N-]C1=NN=C(C2CCC2)O1	REAL250005077307	0	34	-1.0	-52.32	297.32	-2.59	-54.91
C#CCCCS(=O)(=O)[N-]C1=NN=C(C2CCC2)O1	REAL250005077308	0	32	-1.0	-51.00	293.76	-0.75	-51.75
C=CCCCS(=O)(=O)[N-]C1=NN=C(C2CCC2)O1	REAL250005077309	0	34	-1.0	-49.53	300.79	-0.71	-50.24
CCC(CS(=O)(=O)[N-]C1=NN=C(C2CCC2)O1)OC	REAL250005077310	0	37	-1.0	-51.72	314.10	-1.91	-53.63
CC(F)(F)CCS(=O)(=O)[N-]C1=NN=C(C2CCC2)O1	REAL250005077311	0	33	-1.0	-48.73	299.10	-1.13	-49.86
O=S(=O)(CC1(F)CC1)[N-]C1=NN=C(C2CCC2)O1	REAL250005077312	0	31	-1.0	-53.95	281.91	-1.23	-55.18
CCOCCS(=O)(=O)[N-]C1=NN=C(C2CCC2)O1	REAL250005077313	0	34	-1.0	-47.32	300.51	-2.80	-50.12
O=S(=O)(CC1CC1)[N-]C1=NN=C(C2CCC2)O1	REAL250005077314	0	31	-1.0	-50.53	276.57	-1.27	-51.80
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(C2CCC2)O1	REAL250005077315	0	31	-1.0	-47.95	281.55	-1.57	-49.52
CC(CS(=O)(=O)[N-]C1=NN=C(C2CCC2)O1)C1CC1	REAL250005077316	0	37	-1.0	-49.76	311.88	0.15	-49.61
CC(C)(CF)CS(=O)(=O)[N-]C1=NN=C(C2CCC2)O1	REAL250005077317	0	36	-1.0	-49.44	301.38	-0.57	-50.01
O=S(=O)([N-]C1=NN=C(C2CCC2)O1)C1(C(F)F)CC1	REAL250005077318	0	31	-1.0	-46.17	284.51	-0.93	-47.10
O=S(=O)(CC1CC(F)C1)[N-]C1=NN=C(C2CCC2)O1	REAL250005077319	0	34	-1.0	-52.54	299.83	-0.65	-53.19
CC1CC(C)(CS(=O)(=O)[N-]C2=NN=C(C3CCC3)O2)C1	REAL250005077320	0	40	-1.0	-51.37	325.82	0.62	-50.75
CCS(=O)(=O)[N-]C1=NN=C(C2CCC(F)(F)CC2)O1	REAL250005077321	0	33	-1.0	-49.05	292.10	-1.63	-50.68
CS(=O)(=O)[N-]C1=NN=C(C2CCC(F)(F)CC2)O1	REAL250005077322	0	30	-1.0	-48.36	270.64	-2.53	-50.89
COCC1=NN=C([N-]S(=O)(=O)C=CC2=CC=CC=C2)O1	REAL250005077323	0	32	-1.0	-50.30	298.70	-2.45	-52.75
COCCS(=O)(=O)[N-]C1=NN=C(COC)O1	REAL250005077324	0	28	-1.0	-47.15	264.39	-6.87	-54.02
COCC1=NN=C([N-]S(=O)(=O)C2CCCCC2)O1	REAL250005077325	0	34	-1.0	-51.11	292.16	-3.21	-54.32
COCC1=NN=C([N-]S(=O)(=O)CCC2=CC=CC=C2)O1	REAL250005077326	0	34	-1.0	-49.98	312.12	-2.13	-52.11
COCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC(C)=C2)O1	REAL250005077327	0	34	-1.0	-52.27	312.03	-2.25	-54.52
COCC1=NN=C([N-]S(=O)(=O)CCC2CC2)O1	REAL250005077328	0	31	-1.0	-49.35	283.83	-3.59	-52.94
COCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2)O1	REAL250005077329	0	31	-1.0	-51.92	290.62	-2.91	-54.83
COCC1=NN=C([N-]S(=O)(=O)CC2=CC=CC=C2C)O1	REAL250005077330	0	34	-1.0	-52.04	304.96	-2.27	-54.31
CCCCCCCS(=O)(=O)[N-]C1=NN=C(COC)O1	REAL250005077331	0	39	-1.0	-49.28	338.21	-2.03	-51.31
COCC1=NN=C([N-]S(=O)(=O)CCCC(C)C)O1	REAL250005077332	0	36	-1.0	-49.61	312.78	-3.09	-52.70
COCC1=NN=C([N-]S(=O)(=O)C(C)C(=O)N(C)C)O1	REAL250005077333	0	34	-1.0	-60.01	302.62	-5.66	-65.67
COCC1=NN=C([N-]S(=O)(=O)CCCCF)O1	REAL250005077334	0	30	-1.0	-49.16	280.31	-4.24	-53.40
COCC1=NN=C([N-]S(=O)(=O)CC(C)OC)O1	REAL250005077335	0	31	-1.0	-51.97	283.51	-5.91	-57.88
C#CCCCS(=O)(=O)[N-]C1=NN=C(COC)O1	REAL250005077336	0	29	-1.0	-50.76	279.50	-3.86	-54.62
C=CCCCS(=O)(=O)[N-]C1=NN=C(COC)O1	REAL250005077337	0	31	-1.0	-49.53	286.53	-3.81	-53.34
CCC(CS(=O)(=O)[N-]C1=NN=C(COC)O1)OC	REAL250005077338	0	34	-1.0	-51.11	302.63	-5.14	-56.25
COCC1=NN=C([N-]S(=O)(=O)CCOCC2CC2)O1	REAL250005077339	0	35	-1.0	-47.39	317.92	-4.33	-51.72
COCC1=NN=C([N-]S(=O)(=O)CC(OC)C2CC2)O1	REAL250005077340	0	35	-1.0	-51.28	309.10	-4.28	-55.56
COCC1=NN=C([N-]S(=O)(=O)CC(OC)C(C)C)O1	REAL250005077341	0	37	-1.0	-52.10	317.01	-4.47	-56.57
COCC1=NN=C([N-]S(=O)(=O)CCC(C)(F)F)O1	REAL250005077342	0	30	-1.0	-48.75	284.83	-4.23	-52.98
COCC1=NN=C([N-]S(=O)(=O)CC2(F)CC2)O1	REAL250005077343	0	28	-1.0	-53.55	267.64	-4.34	-57.89
CCOCCS(=O)(=O)[N-]C1=NN=C(COC)O1	REAL250005077344	0	31	-1.0	-47.30	286.25	-5.90	-53.20
CCC(C#N)S(=O)(=O)[N-]C1=NN=C(COC)O1	REAL250005077345	0	28	-1.0	-47.73	267.28	-4.68	-52.41
COCC1=NN=C([N-]S(=O)(=O)CC(C)C2CC2)O1	REAL250005077346	0	34	-1.0	-49.67	297.61	-2.96	-52.63
COCC1=NN=C([N-]S(=O)(=O)CC(C)(C)CF)O1	REAL250005077347	0	33	-1.0	-49.37	287.12	-3.67	-53.04
COCC1=NN=C([N-]S(=O)(=O)C2(C(F)F)CC2)O1	REAL250005077348	0	28	-1.0	-45.87	270.24	-4.04	-49.91
COCC1=NN=C([N-]S(=O)(=O)CC2CC(F)C2)O1	REAL250005077349	0	31	-1.0	-49.81	285.60	-3.76	-53.57
COCC1=NN=C([N-]S(=O)(=O)CC2(C)CC(C)C2)O1	REAL250005077350	0	37	-1.0	-50.91	313.34	-2.65	-53.56
CCC1=NN=C([N-]S(=O)(=O)CCCS(N)(=O)=O)O1	REAL250005077351	0	31	-1.0	-59.53	296.91	-8.45	-67.98