CC1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL250005021450	0	31	-1.0	-36.71	276.25	1.65	-35.06
CS(=O)(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021451	0	28	-1.0	-43.76	264.28	-5.13	-48.89
CC1=NNC(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021452	0	33	-1.0	-38.57	287.63	0.06	-38.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCCC2=C1	REAL250005021453	0	31	-1.0	-37.60	266.66	2.96	-34.64
O=C(CC1=CN(C2=CC=CC=C2)N=C1)NCC1=NC(=O)O[N-]1	REAL250005021454	0	34	-1.0	-42.11	304.58	2.93	-39.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2N1	REAL250005021455	0	28	-1.0	-35.18	261.28	1.06	-34.12
CC1=CC=C(OCCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005021456	0	37	-1.0	-37.18	314.02	2.57	-34.61
CC1=CC(C)=CC(OCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021457	0	37	-1.0	-37.12	318.43	2.69	-34.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1	REAL250005021458	0	26	-1.0	-35.92	255.81	0.30	-35.62
CC1=CC(C)=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN21	REAL250005021459	0	32	-1.0	-48.53	288.47	1.15	-47.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=N1	REAL250005021460	0	26	-1.0	-37.14	257.47	0.33	-36.81
O=C(CCNC(=O)C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005021461	0	31	-1.0	-42.80	294.37	-0.82	-43.62
O=C(CCC1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005021462	0	27	-1.0	-35.88	257.37	1.63	-34.25
O=C(COCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005021463	0	31	-1.0	-39.64	280.22	2.12	-37.52
CCC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021464	0	36	-1.0	-36.18	310.04	3.98	-32.20
COC1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL250005021465	0	34	-1.0	-38.86	296.63	2.62	-36.24
CC1=NOC(C)=C1CSCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021466	0	33	-1.0	-40.68	307.31	1.87	-38.81
O=C(CSCC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005021467	0	31	-1.0	-38.40	296.58	3.17	-35.23
CC1=CC=CC(CSCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021468	0	34	-1.0	-38.39	311.58	3.77	-34.62
CON=CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021469	0	31	-1.0	-38.73	284.56	1.15	-37.58
O=C(CC1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005021470	0	37	-1.0	-37.80	308.46	4.22	-33.58
O=C(CCC1=CC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005021471	0	30	-1.0	-37.95	272.71	2.57	-35.38
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC1	REAL250005021472	0	31	-1.0	-38.07	272.12	2.75	-35.32
O=C(COC1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005021473	0	34	-1.0	-40.35	300.68	3.89	-36.46
O=C(CCSC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005021474	0	31	-1.0	-36.61	285.94	2.99	-33.62
CC1=CC=C(SCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021475	0	34	-1.0	-36.66	307.35	3.67	-32.99
CCC(OC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021476	0	34	-1.0	-37.86	286.38	2.84	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=C1	REAL250005021477	0	28	-1.0	-39.12	260.28	0.63	-38.49
CC1=CC=C(Cl)C(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021478	0	31	-1.0	-39.85	292.10	2.82	-37.03
O=C(COC1=CC=C2CCCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005021479	0	35	-1.0	-39.23	300.20	3.52	-35.71
O=C(CC1OC(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005021480	0	31	-1.0	-45.37	283.05	2.59	-42.78
COC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021481	0	28	-1.0	-40.15	265.17	2.13	-38.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC=C21	REAL250005021482	0	30	-1.0	-39.47	262.64	3.32	-36.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1=O	REAL250005021483	0	29	-1.0	-49.29	267.93	2.52	-46.77
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005021484	0	30	-1.0	-39.43	276.52	1.80	-37.63
CC(C)(C)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005021485	0	42	-1.0	-35.67	309.16	3.14	-32.53
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL250005021486	0	29	-1.0	-36.47	259.41	2.24	-34.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1Cl	REAL250005021487	0	24	-1.0	-34.18	246.33	1.68	-32.50
CC1=CC(C)=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021488	0	34	-1.0	-38.81	297.48	2.95	-35.86
COC1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021489	0	32	-1.0	-42.47	283.91	1.37	-41.10
CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005021490	0	34	-1.0	-39.05	293.07	2.83	-36.22
COC1=CC=C(OC)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021491	0	32	-1.0	-43.04	277.90	0.89	-42.15
O=C(NCC1=NC(=O)O[N-]1)C1=NNC(=O)C2=CC=CC=C21	REAL250005021492	0	29	-1.0	-38.29	264.66	-1.08	-39.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])O1	REAL250005021493	0	23	-1.0	-39.63	235.81	-0.29	-39.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL250005021494	0	24	-1.0	-37.65	237.39	1.67	-35.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL250005021495	0	24	-1.0	-37.98	233.66	1.56	-36.42
CCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005021496	0	36	-1.0	-36.40	304.69	3.62	-32.78
O=C(CCC(=O)N1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005021497	0	35	-1.0	-39.55	295.72	-1.35	-40.90
O=C(CNC(=O)C1=CC=CO1)NCC1=NC(=O)O[N-]1	REAL250005021498	0	28	-1.0	-39.35	264.32	-2.46	-41.81
CCOC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005021499	0	38	-1.0	-41.72	316.93	0.86	-40.86
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021500	0	37	-1.0	-36.25	315.38	2.87	-33.38
O=C(CC1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL250005021501	0	29	-1.0	-39.22	273.97	2.40	-36.82
CC1=NC2=CC=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021502	0	32	-1.0	-37.35	278.90	2.04	-35.31
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL250005021503	0	30	-1.0	-39.96	283.85	2.91	-37.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1Cl	REAL250005021504	0	24	-1.0	-34.73	240.05	1.62	-33.11
O=C(CC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL250005021505	0	29	-1.0	-44.81	266.36	2.07	-42.74
O=C(CSC1=CC=NC=C1)NCC1=NC(=O)O[N-]1	REAL250005021506	0	27	-1.0	-37.47	259.39	0.42	-37.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=CC=C21	REAL250005021507	0	30	-1.0	-40.74	267.92	0.13	-40.61
CC1=CC=C(OCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021508	0	34	-1.0	-36.84	297.02	2.03	-34.81
COC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021509	0	32	-1.0	-39.13	284.16	0.90	-38.23
O=C(COC1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005021510	0	28	-1.0	-40.21	270.70	2.15	-38.06
CC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021511	0	31	-1.0	-38.83	276.07	2.29	-36.54
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021512	0	30	-1.0	-36.83	275.88	1.72	-35.11
CCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021513	0	34	-1.0	-38.31	297.11	1.95	-36.36
CC1=NOC(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021514	0	32	-1.0	-37.89	284.28	1.30	-36.59
CCOC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021515	0	35	-1.0	-38.88	306.02	1.83	-37.05
O=C(CN1C=CC=CC1=O)NCC1=NC(=O)O[N-]1	REAL250005021516	0	27	-1.0	-46.54	249.92	0.34	-46.20
O=C(CNC(=O)C1CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005021517	0	37	-1.0	-37.18	305.88	-0.21	-37.39
O=C(CNC(=O)C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005021518	0	28	-1.0	-38.30	272.24	-1.46	-39.76
O=C(CNC(=O)C1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005021519	0	31	-1.0	-39.13	286.51	-0.39	-39.52
CC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021520	0	31	-1.0	-37.32	277.06	2.91	-34.41
O=C(CSC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL250005021521	0	28	-1.0	-36.02	280.99	2.71	-33.31
CC(C)COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021522	0	37	-1.0	-37.99	314.06	2.76	-35.23
CC(C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021523	0	36	-1.0	-36.78	302.24	3.73	-33.05
COCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021524	0	31	-1.0	-37.84	276.19	0.78	-37.06
CC(C)OCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021525	0	37	-1.0	-37.82	318.31	2.50	-35.32
O=C(CC1=CC=C2CCCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005021526	0	34	-1.0	-38.11	291.29	3.64	-34.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1Cl	REAL250005021527	0	23	-1.0	-38.02	228.79	-0.29	-38.31
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005021528	0	33	-1.0	-35.93	280.59	2.97	-32.96
CSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021529	0	28	-1.0	-36.30	261.17	2.06	-34.24
NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021530	0	28	-1.0	-39.63	255.61	-2.15	-41.78
O=C(CC1=CC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005021531	0	27	-1.0	-39.25	251.17	1.77	-37.48
CC1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021532	0	31	-1.0	-38.66	274.74	2.33	-36.33
CC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021533	0	31	-1.0	-42.62	277.10	-0.05	-42.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL250005021534	0	24	-1.0	-35.72	242.42	1.66	-34.06
O=C(CC1=CNC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005021535	0	31	-1.0	-40.95	277.66	1.79	-39.16
O=C(CNC(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005021536	0	31	-1.0	-38.94	280.10	-0.46	-39.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL250005021537	0	24	-1.0	-34.63	242.41	1.67	-32.96
CCC1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021538	0	34	-1.0	-38.64	296.36	3.08	-35.56
O=C(CN1CCCCCC1=O)NCC1=NC(=O)O[N-]1	REAL250005021539	0	34	-1.0	-42.81	282.44	0.81	-42.00
CCC1=C(C)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021540	0	30	-1.0	-37.22	273.96	2.12	-35.10
CCN1N=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005021541	0	32	-1.0	-39.17	286.85	0.38	-38.79
CC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005021542	0	33	-1.0	-37.16	275.39	-1.22	-38.38
CC(SC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021543	0	31	-1.0	-37.23	287.46	2.89	-34.34
CSCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005021544	0	28	-1.0	-39.49	271.99	1.10	-38.39
O=C(CSC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005021545	0	28	-1.0	-37.16	264.27	2.19	-34.97
COC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021546	0	31	-1.0	-39.37	274.07	1.09	-38.28
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005021547	0	29	-1.0	-37.82	267.95	2.34	-35.48
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1C	REAL250005021548	0	35	-1.0	-36.03	298.75	0.47	-35.56
CC1=CC=C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021549	0	34	-1.0	-38.07	292.70	2.91	-35.16
CC1=CC=CC(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021550	0	34	-1.0	-38.04	292.71	2.91	-35.13
CNC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005021551	0	31	-1.0	-38.48	281.34	0.75	-37.73
CC(C)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021552	0	37	-1.0	-36.95	315.80	4.15	-32.80
O=C(CN1C(=O)CNC1=O)NCC1=NC(=O)O[N-]1	REAL250005021553	0	26	-1.0	-45.28	246.12	-3.75	-49.03
O=C(CCCC1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005021554	0	30	-1.0	-37.40	278.87	2.41	-34.99
O=C(CN1C=CC(C(F)(F)F)=N1)NCC1=NC(=O)O[N-]1	REAL250005021555	0	27	-1.0	-43.62	267.31	0.14	-43.48
COC1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021556	0	34	-1.0	-38.27	295.47	1.89	-36.38
O=C(CSCC1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005021557	0	28	-1.0	-38.09	280.40	2.19	-35.90
O=C(CCSC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005021558	0	31	-1.0	-35.83	292.34	3.06	-32.77
CC1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021559	0	31	-1.0	-37.13	285.67	2.87	-34.26
CC1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005021560	0	34	-1.0	-37.23	304.17	3.43	-33.80
O=C(NCC1=NC(=O)O[N-]1)C1=C(N2C=NN=N2)C=CS1	REAL250005021561	0	26	-1.0	-46.94	259.89	0.69	-46.25
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021562	0	29	-1.0	-41.54	275.26	-3.99	-45.53
CC(OC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021563	0	32	-1.0	-38.85	292.11	2.63	-36.22
CC(OC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021564	0	31	-1.0	-37.00	277.73	2.29	-34.71
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CC1=CC=CC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021571	0	31	-1.0	-37.40	273.21	2.77	-34.63
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CC(OC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021573	0	31	-1.0	-37.15	288.03	2.75	-34.40
CC1=CC=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021574	0	31	-1.0	-37.24	277.07	2.90	-34.34
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CCOC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005021580	0	38	-1.0	-39.50	316.60	0.89	-38.61
CC(C)C1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021581	0	37	-1.0	-38.91	313.28	3.59	-35.32
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005021582	0	33	-1.0	-37.80	284.17	2.93	-34.87
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CC1=CC=CC(C)=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021584	0	34	-1.0	-38.53	296.42	3.08	-35.45
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CC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005021588	0	26	-1.0	-40.52	251.19	-0.41	-40.93
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O=C(CSC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005021592	0	28	-1.0	-36.39	270.67	2.26	-34.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])S1	REAL250005021593	0	23	-1.0	-35.97	243.12	0.88	-35.09
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=CC=C2O1	REAL250005021594	0	30	-1.0	-38.48	268.80	1.16	-37.32
CCOC1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021595	0	35	-1.0	-42.59	305.77	2.29	-40.30
CCC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021596	0	34	-1.0	-38.38	297.55	3.06	-35.32
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL250005021597	0	31	-1.0	-37.58	290.12	2.72	-34.86
N#CC1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021598	0	29	-1.0	-45.20	274.89	2.02	-43.18
O=C(COC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005021599	0	28	-1.0	-38.46	271.40	2.13	-36.33
O=C(CCC1NC(=O)NC1=O)NCC1=NC(=O)O[N-]1	REAL250005021600	0	29	-1.0	-42.93	265.73	-5.07	-48.00
CC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005021601	0	34	-1.0	-42.05	282.25	0.12	-41.93
CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021602	0	31	-1.0	-38.57	276.07	2.29	-36.28
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC1=O	REAL250005021603	0	26	-1.0	-37.22	244.34	-1.83	-39.05
CC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=COC2=C1	REAL250005021604	0	33	-1.0	-40.53	295.04	2.77	-37.76
CC(=O)C1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021605	0	33	-1.0	-45.89	295.16	2.01	-43.88
CSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021606	0	28	-1.0	-39.41	256.84	2.05	-37.36
O=C(COC1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL250005021607	0	30	-1.0	-39.86	282.87	2.29	-37.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CN=C21	REAL250005021608	0	29	-1.0	-45.64	260.22	1.86	-43.78
CC(OC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021609	0	31	-1.0	-38.09	271.30	2.23	-35.86
COC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021610	0	31	-1.0	-39.25	275.26	1.03	-38.22
O=C(CCC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005021611	0	36	-1.0	-35.45	287.93	2.70	-32.75
CC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005021612	0	31	-1.0	-38.39	294.04	-0.67	-39.06
O=C(COC1=CC=CC=C1O)NCC1=NC(=O)O[N-]1	REAL250005021613	0	29	-1.0	-41.14	265.43	-0.70	-41.84
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CN1C1=CC=CC=C1	REAL250005021614	0	31	-1.0	-39.79	280.00	3.49	-36.30
CC1(C)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005021615	0	32	-1.0	-43.64	288.05	-2.36	-46.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)S1	REAL250005021616	0	21	-1.0	-34.78	230.28	0.67	-34.11
CC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021617	0	37	-1.0	-38.85	318.52	2.80	-36.05
CC1=CC=CC(OCCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021618	0	37	-1.0	-39.08	318.53	2.80	-36.28
CC(NC(=O)C1=CC=CO1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021619	0	31	-1.0	-38.90	283.88	-1.61	-40.51
CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021620	0	33	-1.0	-36.65	281.28	2.96	-33.69
O=C(CC12CC3CC(CC(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL250005021621	0	41	-1.0	-35.39	300.69	3.63	-31.76
O=C(CC1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005021622	0	27	-1.0	-38.00	259.67	2.14	-35.86
CCC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021623	0	34	-1.0	-38.75	297.56	3.06	-35.69
O=C(CC1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL250005021624	0	33	-1.0	-40.72	290.26	0.89	-39.83
CC1=CC(C)=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005021625	0	37	-1.0	-38.46	317.87	3.74	-34.72
O=C(CNC(=O)CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005021626	0	34	-1.0	-39.29	304.71	0.22	-39.07
O=C(COC1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005021627	0	34	-1.0	-40.61	299.70	3.92	-36.69
O=C(CCC(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005021628	0	32	-1.0	-38.87	287.38	2.36	-36.51
O=C(CC1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005021629	0	27	-1.0	-37.72	252.16	1.80	-35.92
CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021630	0	31	-1.0	-36.59	272.39	1.29	-35.30
CC(C)OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021631	0	34	-1.0	-37.13	290.28	1.91	-35.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2O1	REAL250005021632	0	27	-1.0	-39.45	252.35	1.45	-38.00
NS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021633	0	29	-1.0	-42.72	275.33	-4.01	-46.73
O=C(CC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005021634	0	27	-1.0	-36.98	252.16	1.80	-35.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL250005021635	0	24	-1.0	-36.07	232.07	1.19	-34.88
O=C(CCC(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005021636	0	32	-1.0	-37.82	293.76	2.43	-35.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250005021637	0	30	-1.0	-38.18	267.19	3.32	-34.86
O=C(CCC(=O)C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005021638	0	29	-1.0	-38.42	278.25	1.45	-36.97
NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005021639	0	28	-1.0	-38.77	261.64	-0.22	-38.99
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1	REAL250005021640	0	29	-1.0	-42.81	264.59	1.49	-41.32
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021641	0	36	-1.0	-36.63	297.24	3.37	-33.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL250005021642	0	26	-1.0	-35.15	249.30	1.72	-33.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL250005021643	0	24	-1.0	-35.76	237.86	1.56	-34.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250005021644	0	27	-1.0	-36.04	259.82	2.04	-34.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL250005021645	0	26	-1.0	-39.15	262.16	3.24	-35.91
O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL250005021646	0	30	-1.0	-38.92	283.83	2.91	-36.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1Cl	REAL250005021647	0	24	-1.0	-34.70	250.37	2.07	-32.63
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL250005021648	0	35	-1.0	-40.67	304.50	0.93	-39.74
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL250005021649	0	32	-1.0	-38.09	279.74	0.26	-37.83
CSC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021650	0	28	-1.0	-39.24	273.80	2.58	-36.66
CC1=CC(Cl)=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021651	0	31	-1.0	-37.32	291.47	2.84	-34.48
O=C(C=CC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005021652	0	28	-1.0	-36.50	272.40	2.76	-33.74
COC1=CC=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021653	0	32	-1.0	-38.38	285.14	1.53	-36.85
O=C(C=CC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL250005021654	0	30	-1.0	-44.46	281.35	2.81	-41.65
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=CC2=NN1	REAL250005021655	0	27	-1.0	-37.71	248.18	-0.25	-37.96
O=C(NCC1=NC(=O)O[N-]1)C1=NNC2=CC=CC=C21	REAL250005021655	1	27	-1.0	-41.63	249.99	-0.29	-41.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)F)=C1	REAL250005021656	0	28	-1.0	-38.32	260.36	0.63	-37.69
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021657	0	31	-1.0	-38.40	275.25	1.03	-37.37
COC1=CC=CC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021658	0	32	-1.0	-40.08	284.02	1.61	-38.47
O=C(CC1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005021659	0	33	-1.0	-39.26	288.43	3.85	-35.41
O=C(CCCOC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005021660	0	34	-1.0	-38.93	297.12	2.12	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=CSC2=C1	REAL250005021661	0	26	-1.0	-37.85	252.21	0.43	-37.42
CC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005021662	0	33	-1.0	-39.53	293.22	0.64	-38.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL250005021663	0	27	-1.0	-37.13	247.15	-0.27	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)O1	REAL250005021664	0	21	-1.0	-36.19	227.04	-0.22	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)N=C1	REAL250005021665	0	23	-1.0	-35.83	232.98	-0.30	-36.13
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(Br)=C1	REAL250005021666	0	23	-1.0	-34.70	237.44	-0.10	-34.80
O=C(CC1=C(F)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005021667	0	27	-1.0	-38.56	265.11	2.17	-36.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1Cl	REAL250005021668	0	24	-1.0	-36.81	248.83	2.02	-34.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1Cl	REAL250005021669	0	24	-1.0	-36.50	250.38	2.08	-34.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1	REAL250005021670	0	24	-1.0	-33.91	254.59	2.07	-31.84
CCN(CC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021671	0	38	-1.0	-38.35	316.02	3.35	-35.00
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL250005021672	0	32	-1.0	-40.74	279.54	1.37	-39.37
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL250005021673	0	32	-1.0	-40.27	277.82	0.92	-39.35
COC1=CC(OC)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021674	0	32	-1.0	-39.84	280.07	-0.35	-40.19
CN(C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021675	0	32	-1.0	-38.40	272.63	1.44	-36.96
CN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021676	0	32	-1.0	-38.64	273.39	1.48	-37.16
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O=C(COC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL250005021679	0	28	-1.0	-37.36	271.40	2.14	-35.22
CC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021680	0	35	-1.0	-38.76	308.77	3.04	-35.72
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CC1=CC(C)=NC(SCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005021683	0	32	-1.0	-40.52	299.97	0.98	-39.54
CC1=CC=C(C)C(SCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021684	0	34	-1.0	-37.22	304.18	3.43	-33.79
O=C(COC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL250005021685	0	30	-1.0	-48.65	280.69	2.77	-45.88
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COC1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021690	0	32	-1.0	-37.69	293.74	1.48	-36.21
CC1=NOC(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021691	0	29	-1.0	-39.24	262.88	0.50	-38.74
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COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005021693	0	28	-1.0	-36.87	256.74	0.44	-36.43
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CC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005021696	0	32	-1.0	-38.51	300.05	2.26	-36.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCOC2=C1	REAL250005021697	0	27	-1.0	-36.29	263.88	0.25	-36.04
CC1=CC=C(NC(=O)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021698	0	31	-1.0	-38.42	279.70	-0.01	-38.43
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O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)COC2=C1	REAL250005021702	0	30	-1.0	-38.66	271.78	-1.72	-40.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=N2)C=C1	REAL250005021703	0	31	-1.0	-39.07	279.40	2.26	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(F)C=C2S1	REAL250005021704	0	27	-1.0	-37.35	266.63	2.53	-34.82
CCC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021705	0	34	-1.0	-37.11	298.54	3.68	-33.43
CN1CC(=O)N(CCCC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005021706	0	35	-1.0	-45.90	311.06	-0.15	-46.05
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL250005021707	0	31	-1.0	-42.02	275.79	2.71	-39.31
O=C(CC1=CC=C(OC(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005021708	0	31	-1.0	-40.36	285.00	1.31	-39.05
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL250005021709	0	27	-1.0	-36.78	252.39	1.56	-35.22
NC(=O)NCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021710	0	32	-1.0	-44.31	282.46	-4.15	-48.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC=C2)=C1	REAL250005021711	0	32	-1.0	-38.07	281.98	3.82	-34.25
COCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021712	0	31	-1.0	-38.48	276.19	0.77	-37.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2S1	REAL250005021713	0	27	-1.0	-38.93	260.22	2.46	-36.47
CC(=O)NC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021714	0	34	-1.0	-43.81	301.84	0.62	-43.19
CC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021715	0	34	-1.0	-40.77	303.01	0.07	-40.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NN=N2)C=C1	REAL250005021716	0	29	-1.0	-42.59	269.27	1.24	-41.35
O=C(CCC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005021717	0	30	-1.0	-36.35	273.56	2.60	-33.75
CCOC1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021718	0	37	-1.0	-38.25	317.32	2.82	-35.43
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005021719	0	28	-1.0	-38.56	255.07	0.43	-38.13
CC1=CSC(=O)N1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021720	0	30	-1.0	-41.29	279.60	0.23	-41.06
CC(C)C1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021721	0	37	-1.0	-38.21	314.86	3.54	-34.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1F	REAL250005021722	0	24	-1.0	-38.37	232.09	1.19	-37.18
COC1=CC=C(C)C=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021723	0	35	-1.0	-39.89	305.41	2.27	-37.62
CC(C)(C)C(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021724	0	33	-1.0	-37.41	283.14	-1.53	-38.94
CN1C(=O)C=CN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005021725	0	30	-1.0	-45.52	273.47	-0.26	-45.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1	REAL250005021726	0	28	-1.0	-36.74	254.88	0.99	-35.75
NC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021727	0	30	-1.0	-48.21	270.15	-2.85	-51.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCCCC2=C1	REAL250005021728	0	34	-1.0	-37.28	283.84	3.54	-33.74
NC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021729	0	33	-1.0	-41.56	296.24	-2.73	-44.29
CC(C)(C)OC(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021730	0	37	-1.0	-40.69	312.25	-1.52	-42.21
CC1=CC=NN1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021731	0	34	-1.0	-38.60	298.34	2.65	-35.95
O=C(CC1CCS(=O)(=O)C1)NCC1=NC(=O)O[N-]1	REAL250005021732	0	30	-1.0	-43.28	268.04	-2.61	-45.89
CC(C)CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021733	0	39	-1.0	-36.93	326.95	4.41	-32.52
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005021734	0	31	-1.0	-40.10	281.48	1.10	-39.00
NC(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021735	0	32	-1.0	-41.76	290.13	-0.97	-42.73
COC1=CC=C(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021736	0	31	-1.0	-41.06	269.85	2.28	-38.78
COC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021737	0	30	-1.0	-44.19	276.61	2.28	-41.91
COC1=CC=C(C)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021738	0	34	-1.0	-39.46	295.47	1.75	-37.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=CC=CC=C21	REAL250005021739	0	29	-1.0	-37.52	257.32	1.42	-36.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250005021740	0	26	-1.0	-45.84	247.81	2.39	-43.45
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Cl)=CC=C1Cl	REAL250005021741	0	23	-1.0	-40.12	247.76	0.26	-39.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(Cl)=C1	REAL250005021742	0	23	-1.0	-32.93	250.06	0.14	-32.79
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SN=N1	REAL250005021743	0	25	-1.0	-33.61	242.84	-1.04	-34.65
CS(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021744	0	29	-1.0	-52.96	266.99	1.03	-51.93
NC(=O)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021745	0	32	-1.0	-44.15	289.11	-1.54	-45.69
N#CCSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021746	0	29	-1.0	-43.89	277.66	2.64	-41.25
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CC=CC2=N1	REAL250005021747	0	27	-1.0	-46.18	251.58	1.52	-44.66
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005021748	0	27	-1.0	-37.52	247.82	1.76	-35.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=CC=CC=C1	REAL250005021749	0	34	-1.0	-38.82	295.36	4.62	-34.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NN1	REAL250005021750	0	31	-1.0	-36.66	282.57	1.09	-35.57
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C(NC=NC2=O)O1	REAL250005021751	0	29	-1.0	-61.58	274.50	-2.36	-63.94
CCS(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021752	0	32	-1.0	-38.19	290.06	0.55	-37.64
O=C(CN1CCSC1=O)NCC1=NC(=O)O[N-]1	REAL250005021753	0	26	-1.0	-44.67	249.63	-0.92	-45.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCC2)S1	REAL250005021754	0	34	-1.0	-37.29	294.18	3.27	-34.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)S1	REAL250005021755	0	31	-1.0	-37.13	276.88	2.67	-34.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCC2)S1	REAL250005021756	0	28	-1.0	-37.46	259.15	2.07	-35.39
CCCCC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021757	0	39	-1.0	-37.01	331.63	4.73	-32.28
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2N=C1	REAL250005021758	0	28	-1.0	-40.38	259.64	-0.47	-40.85
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=C(F)C=C21	REAL250005021759	0	30	-1.0	-37.04	276.62	2.19	-34.85
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=C(F)C=CC=C12	REAL250005021760	0	30	-1.0	-43.19	276.55	2.18	-41.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1CCCC1	REAL250005021761	0	35	-1.0	-39.18	293.98	1.89	-37.29
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005021762	0	27	-1.0	-40.16	254.50	-1.43	-41.59
COC1=CC=C(OC)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021763	0	35	-1.0	-40.66	303.55	0.36	-40.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=C2)C=C1	REAL250005021764	0	32	-1.0	-37.07	281.85	3.83	-33.24
O=C(CN1C=CC(=O)NC1=O)NCC1=NC(=O)O[N-]1	REAL250005021765	0	27	-1.0	-45.55	254.65	-2.41	-47.96
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(CC(C3)C1)C2	REAL250005021766	0	38	-1.0	-35.90	285.93	2.99	-32.91
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL250005021767	0	31	-1.0	-37.10	270.65	1.08	-36.02
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=CC=C2C1	REAL250005021768	0	32	-1.0	-36.21	275.75	1.58	-34.63
CC(=O)C1=C(C)OC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021769	0	35	-1.0	-39.06	311.86	2.07	-36.99
CC1=NN(C)C(C)=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021770	0	32	-1.0	-40.76	292.44	-0.22	-40.98
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL250005021771	0	34	-1.0	-39.01	290.77	2.68	-36.33
CC1=NNC(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021772	0	30	-1.0	-39.80	266.30	-0.73	-40.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(=O)N1	REAL250005021773	0	30	-1.0	-41.29	272.16	0.34	-40.95
O=C(CCC1=NC2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL250005021774	0	33	-1.0	-40.87	293.40	1.23	-39.64
CN(C)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021775	0	38	-1.0	-37.41	318.26	2.93	-34.48
CC1=NSC(N)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021776	0	25	-1.0	-37.01	244.67	-2.92	-39.93
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL250005021777	0	29	-1.0	-40.05	276.96	0.64	-39.41
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL250005021778	0	30	-1.0	-40.19	270.12	2.14	-38.05
CNC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=NS1	REAL250005021779	0	28	-1.0	-37.53	266.56	-1.90	-39.43
CC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005021780	0	34	-1.0	-37.29	280.84	0.03	-37.26
CC1=CC2=CC=CC=C2N1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021781	0	34	-1.0	-39.90	297.99	3.64	-36.26
O=C(NCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C1	REAL250005021782	0	27	-1.0	-43.62	249.16	-3.35	-46.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCCC2)=CC=N1	REAL250005021783	0	35	-1.0	-39.04	297.29	-0.08	-39.12
CC1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N=C1C	REAL250005021784	0	34	-1.0	-40.78	295.93	0.61	-40.17
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005021785	0	27	-1.0	-36.94	256.59	1.63	-35.31
O=C(CCN1C=NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005021786	0	33	-1.0	-39.88	294.49	3.30	-36.58
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CCCC1=C(C)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021800	0	33	-1.0	-37.10	296.45	2.92	-34.18
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O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1	REAL250005021803	0	34	-1.0	-40.32	307.58	2.68	-37.64
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CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL250005021805	0	27	-1.0	-34.24	252.04	1.93	-32.31
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COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005021810	0	27	-1.0	-36.45	248.24	-2.23	-38.68
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CC1CC1C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005021813	0	35	-1.0	-38.37	308.42	3.38	-34.99
CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL250005021814	0	34	-1.0	-41.61	297.77	3.63	-37.98
CC1CC1C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005021815	0	37	-1.0	-37.27	319.98	3.73	-33.54
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COC1=CC=C(Cl)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021819	0	31	-1.0	-38.39	290.79	1.60	-36.79
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NC(=O)COC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021822	0	32	-1.0	-53.99	287.04	-0.57	-54.56
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CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=C1C(=O)CCC2	REAL250005021826	0	34	-1.0	-41.61	289.95	1.06	-40.55
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CC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005021836	0	30	-1.0	-38.62	271.10	1.26	-37.36
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CNC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021838	0	31	-1.0	-41.85	278.98	0.89	-40.96
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005021839	0	34	-1.0	-39.28	302.88	1.91	-37.37
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COC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021841	0	34	-1.0	-37.98	296.65	1.84	-36.14
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COC1=CC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021844	0	34	-1.0	-40.96	294.32	3.89	-37.07
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CC1=CC=C(C)C(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021846	0	34	-1.0	-38.58	296.15	3.00	-35.58
CC(C)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021847	0	37	-1.0	-36.26	313.99	2.77	-33.49
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COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021849	0	34	-1.0	-37.50	296.65	1.84	-35.66
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021850	0	30	-1.0	-43.63	281.78	-1.41	-45.04
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL250005021851	0	29	-1.0	-35.08	265.26	2.23	-32.85
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N#CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021856	0	31	-1.0	-38.34	288.00	2.93	-35.41
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COC1=CC=CC=C1OCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021859	0	35	-1.0	-39.45	304.87	1.26	-38.19
CCN1C(C)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005021860	0	34	-1.0	-41.15	288.12	2.50	-38.65
CC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021861	0	33	-1.0	-36.37	288.55	3.20	-33.17
COC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005021862	0	34	-1.0	-38.74	303.97	0.78	-37.96
O=C(NCC1=NC(=O)O[N-]1)C1=CSC2=C1CCCC2	REAL250005021863	0	31	-1.0	-37.34	272.09	2.61	-34.73
CC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL250005021864	0	37	-1.0	-38.14	301.63	-0.03	-38.17
CS(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021865	0	32	-1.0	-44.28	296.77	0.28	-44.00
CC(C)=CC1C(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005021866	0	37	-1.0	-36.02	310.88	3.27	-32.75
COCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005021867	0	28	-1.0	-39.53	260.93	-1.06	-40.59
CN1C=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021868	0	25	-1.0	-37.22	243.43	1.01	-36.21
CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005021869	0	34	-1.0	-38.59	296.15	3.00	-35.59
CCOC1=CC=CC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021870	0	35	-1.0	-40.11	305.87	2.53	-37.58
CC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005021871	0	31	-1.0	-36.63	291.08	3.33	-33.30
CC1=CC=CC(OCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021872	0	34	-1.0	-36.97	297.02	2.03	-34.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCC3=C2C1=CC=C3	REAL250005021873	0	34	-1.0	-40.90	287.03	4.41	-36.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)CCC2=C1	REAL250005021874	0	32	-1.0	-39.22	280.87	0.23	-38.99
CC(C)(C)C(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021875	0	40	-1.0	-46.18	315.94	1.60	-44.58
CC1=NNC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005021876	0	29	-1.0	-46.60	253.19	-1.90	-48.50
O=C(CCC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005021877	0	30	-1.0	-36.22	283.88	3.05	-33.17
CC1=CC(C)=NC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=NN21	REAL250005021878	0	31	-1.0	-51.19	285.23	2.37	-48.82
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL250005021879	0	34	-1.0	-40.22	297.06	2.62	-37.60
CC1=C(C)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1	REAL250005021880	0	34	-1.0	-40.25	294.65	2.31	-37.94
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1CC1	REAL250005021881	0	35	-1.0	-41.16	296.87	3.12	-38.04
CC1=CC(C)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL250005021882	0	34	-1.0	-36.96	297.06	2.28	-34.68
CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005021883	0	33	-1.0	-36.36	302.61	3.64	-32.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1	REAL250005021884	0	24	-1.0	-34.11	233.95	1.18	-32.93
CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL250005021885	0	35	-1.0	-37.87	301.60	1.17	-36.70
CC1=CC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CN2C=C1	REAL250005021886	0	30	-1.0	-46.03	272.85	2.18	-43.85
CC(=O)C1=CNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021887	0	27	-1.0	-43.86	251.18	-0.73	-44.59
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021888	0	34	-1.0	-36.32	293.88	2.09	-34.23
CSCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021889	0	31	-1.0	-37.91	287.24	2.94	-34.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=C1	REAL250005021890	0	30	-1.0	-38.74	265.59	0.21	-38.53
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1N1C=CC=C1	REAL250005021891	0	35	-1.0	-37.46	303.15	4.59	-32.87
O=C(CC1=CC=C2OCCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005021892	0	32	-1.0	-39.31	281.64	1.56	-37.75
O=C(CNC(=O)NC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005021893	0	33	-1.0	-39.69	294.84	-1.23	-40.92
CC1=NN(C)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021894	0	30	-1.0	-40.29	268.56	-0.22	-40.51
O=C(C=CC1=CC2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL250005021895	0	31	-1.0	-39.93	285.87	2.83	-37.10
O=C(C=CC1=CC=C2OCCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005021896	0	33	-1.0	-38.86	291.55	2.11	-36.75
CC(NC(=O)C1=CC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021897	0	31	-1.0	-37.97	291.80	-0.61	-38.58
CC1=NN(C)C(Cl)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021898	0	31	-1.0	-38.37	297.25	1.04	-37.33
CC1=NN(C)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL250005021899	0	30	-1.0	-38.27	284.76	0.74	-37.53
CS(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021900	0	29	-1.0	-45.54	273.31	-0.35	-45.89
CN1C=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021901	0	27	-1.0	-40.67	256.58	1.23	-39.44
CC1=CC=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021902	0	27	-1.0	-37.25	243.60	1.80	-35.45
O=C(NCC1=NC(=O)O[N-]1)C1=CSC2=CC=CC=C12	REAL250005021903	0	27	-1.0	-38.48	255.50	2.37	-36.11
N#CC1=CC=CC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021904	0	29	-1.0	-42.26	274.49	2.46	-39.80
CC1=NN(C)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021905	0	27	-1.0	-37.97	265.59	-0.33	-38.30
CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005021906	0	36	-1.0	-36.28	303.90	3.67	-32.61
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL250005021907	0	30	-1.0	-38.85	278.78	1.02	-37.83
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=C1	REAL250005021908	0	31	-1.0	-39.42	277.02	1.07	-38.35
CC1=CC=CC(OCCC(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005021909	0	37	-1.0	-37.23	312.70	2.65	-34.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=NC=CC=C12	REAL250005021910	0	29	-1.0	-38.01	256.93	1.41	-36.60
O=C(C=CC1=CC=CC2=CC=CN=C12)NCC1=NC(=O)O[N-]1	REAL250005021911	0	33	-1.0	-43.95	296.48	2.78	-41.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Cl)N1	REAL250005021912	0	22	-1.0	-33.16	242.07	-0.25	-33.41
CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021913	0	31	-1.0	-41.32	270.31	2.53	-38.79
CCOC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021914	0	30	-1.0	-40.32	268.00	-0.05	-40.37
CC(C)(OC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021915	0	34	-1.0	-36.28	287.41	2.57	-33.71
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005021916	0	29	-1.0	-44.82	268.03	3.58	-41.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC(F)F	REAL250005021917	0	28	-1.0	-39.86	258.21	1.88	-37.98
CS(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021918	0	30	-1.0	-42.29	268.95	-0.37	-42.66
CCSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021919	0	31	-1.0	-39.46	278.31	2.89	-36.57
O=C(NCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)C=CS1	REAL250005021920	0	29	-1.0	-38.95	272.84	3.01	-35.94
COC1=CC=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021921	0	28	-1.0	-40.76	254.85	1.68	-39.08
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1	REAL250005021922	0	34	-1.0	-40.66	297.10	2.27	-38.39
CC1=CC=C(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL250005021923	0	34	-1.0	-36.61	303.97	1.77	-34.84
NC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021924	0	30	-1.0	-43.10	270.01	-2.86	-45.96
CCOC(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021925	0	31	-1.0	-41.06	279.23	-2.61	-43.67
CCOC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005021926	0	37	-1.0	-35.74	308.18	-1.00	-36.74
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)NC2=CC=CC=C21	REAL250005021927	0	32	-1.0	-42.83	281.41	0.07	-42.76
CC1=NN(C)C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005021928	0	32	-1.0	-38.63	287.57	0.79	-37.84
CC(C)C1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021929	0	37	-1.0	-38.63	314.88	3.52	-35.11
O=C(NCC1=NC(=O)O[N-]1)C(=O)NC1=CC=CC=C1	REAL250005021930	0	28	-1.0	-38.43	258.30	-0.69	-39.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL250005021931	0	27	-1.0	-39.44	251.29	2.08	-37.36
CC1=NOC2=NC(C)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL250005021932	0	31	-1.0	-35.62	273.32	-1.33	-36.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=N2)C=C1	REAL250005021933	0	34	-1.0	-42.66	304.90	2.71	-39.95
CC(C)(C)C(=O)NCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021934	0	39	-1.0	-40.49	326.77	-0.09	-40.58
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005021935	0	26	-1.0	-44.24	262.01	-5.95	-50.19
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL250005021936	0	33	-1.0	-45.27	292.52	-2.82	-48.09
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2S1	REAL250005021937	0	29	-1.0	-38.42	269.33	2.56	-35.86
O=C(C=CC1=CC=CC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005021938	0	34	-1.0	-39.15	298.96	4.40	-34.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2NC1=O	REAL250005021939	0	30	-1.0	-49.67	270.23	0.39	-49.28
CC1=CC=C2CC(C(=O)NCC3=NC(=O)O[N-]3)SC2=C1	REAL250005021940	0	32	-1.0	-37.97	290.26	3.22	-34.75
CC1=CC=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021941	0	29	-1.0	-37.33	263.07	1.56	-35.77
CCCC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021942	0	30	-1.0	-35.38	267.82	-0.39	-35.77
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005021943	0	33	-1.0	-36.37	283.22	2.86	-33.51
O=C(CN1N=C2C=CC=CN2C1=O)NCC1=NC(=O)O[N-]1	REAL250005021944	0	30	-1.0	-48.81	279.45	1.44	-47.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N1)SC=C2	REAL250005021945	0	25	-1.0	-36.41	245.23	0.08	-36.33
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCC1	REAL250005021946	0	34	-1.0	-36.47	294.58	3.39	-33.08
CC1=NN(CCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005021947	0	33	-1.0	-38.73	289.82	0.76	-37.97
CC(C)(C)C(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021948	0	36	-1.0	-42.79	305.27	-0.89	-43.68
CC1=CC=NC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=NN21	REAL250005021949	0	28	-1.0	-51.53	263.57	1.77	-49.76
CC12CCC(=O)N1C(C(=O)NCC1=NC(=O)O[N-]1)CS2	REAL250005021950	0	33	-1.0	-44.97	288.47	1.49	-43.48
CS(=O)(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021951	0	32	-1.0	-48.84	282.86	-1.79	-50.63
CC(=O)C1=CN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021952	0	30	-1.0	-37.65	269.22	0.92	-36.73
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2CC2)=C1	REAL250005021953	0	27	-1.0	-39.04	253.41	0.72	-38.32
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCC1	REAL250005021954	0	34	-1.0	-37.42	294.69	3.39	-34.03
CC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)=C1	REAL250005021955	0	37	-1.0	-36.73	309.67	3.99	-32.74
CC1=NOC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005021956	0	28	-1.0	-37.69	258.72	-1.87	-39.56
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N1C=CC=C1	REAL250005021957	0	32	-1.0	-38.96	283.41	2.33	-36.63
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCC1	REAL250005021958	0	34	-1.0	-36.69	288.18	3.32	-33.37
CC(C)N1C=NN=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021959	0	33	-1.0	-41.79	304.45	2.76	-39.03
O=C(CSC1=NN=NN1C1CC1)NCC1=NC(=O)O[N-]1	REAL250005021960	0	30	-1.0	-39.61	290.88	-0.03	-39.64
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005021961	0	29	-1.0	-37.09	271.84	-0.11	-37.20
CC1=C(C)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021962	0	27	-1.0	-37.42	254.75	1.45	-35.97
CSC1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005021963	0	31	-1.0	-39.36	277.35	2.75	-36.61
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)C=CO1	REAL250005021964	0	31	-1.0	-40.40	281.17	2.71	-37.69
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3CC(C2)CC1C3	REAL250005021965	0	38	-1.0	-35.80	281.35	2.87	-32.93
CC1=CC=CC=C1OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021966	0	37	-1.0	-38.89	317.20	2.88	-36.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1C=CC=N1	REAL250005021967	0	30	-1.0	-44.73	274.32	1.83	-42.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CNN=C21	REAL250005021968	0	27	-1.0	-49.59	247.79	-0.17	-49.76
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=NN=CN1	REAL250005021969	0	29	-1.0	-42.77	273.80	2.79	-39.98
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=NNC=N1	REAL250005021969	1	29	-1.0	-49.92	273.21	2.40	-47.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC=N2)N=C1	REAL250005021970	0	29	-1.0	-37.26	271.52	2.90	-34.36
CC1=NOC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005021971	0	28	-1.0	-37.26	259.56	-1.51	-38.77
O=C(CCCOC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005021972	0	34	-1.0	-38.47	303.53	2.19	-36.28
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CC1	REAL250005021973	0	31	-1.0	-36.99	289.28	3.26	-33.73
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C)N=C2C=C1	REAL250005021974	0	35	-1.0	-37.69	300.28	2.69	-35.00
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005021975	0	33	-1.0	-36.88	276.77	2.65	-34.23
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCCC(C1)C2=O	REAL250005021976	0	36	-1.0	-37.91	283.71	1.81	-36.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=NC=NN21	REAL250005021977	0	25	-1.0	-45.55	236.11	2.36	-43.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1C=NN=N1	REAL250005021978	0	29	-1.0	-47.77	267.08	1.84	-45.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=N2)N=C1	REAL250005021979	0	30	-1.0	-38.25	276.71	1.54	-36.71
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005021980	0	27	-1.0	-36.73	270.28	0.85	-35.88
CC1=NN2C(=C1)N=CC(C(=O)NCC1=NC(=O)O[N-]1)=C2C	REAL250005021981	0	32	-1.0	-38.41	288.24	0.91	-37.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C(F)=C1F	REAL250005021982	0	24	-1.0	-33.42	244.52	1.31	-32.11
CC1CCC2=C(C1)SC=C2C(=O)NCC1=NC(=O)O[N-]1	REAL250005021983	0	34	-1.0	-37.01	292.90	3.21	-33.80
CCCCC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005021984	0	42	-1.0	-36.02	322.45	3.95	-32.07
O=C(NCC1=NC(=O)O[N-]1)C1CC1(Cl)Cl	REAL250005021985	0	21	-1.0	-35.80	229.24	0.54	-35.26
CC(NC(=O)C(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021986	0	36	-1.0	-37.19	302.70	-0.69	-37.88
O=C(NCC1=NC(=O)O[N-]1)C12CCC(=O)N1CCS2	REAL250005021987	0	30	-1.0	-39.57	273.30	-0.35	-39.92
CC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005021988	0	26	-1.0	-36.63	247.24	-0.48	-37.11
CC1=NN(C)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005021989	0	33	-1.0	-41.32	286.61	0.47	-40.85
O=C(CC1=CC=CC2=CC=CN=C21)NCC1=NC(=O)O[N-]1	REAL250005021990	0	32	-1.0	-43.03	285.77	2.25	-40.78
CC1OC2=CC=CC=C2OC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021991	0	33	-1.0	-37.76	283.68	2.36	-35.40
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=CC=CC=C21	REAL250005021992	0	34	-1.0	-38.17	282.89	3.51	-34.66
COC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005021993	0	27	-1.0	-40.08	246.15	-0.97	-41.05
CC(OC1=CC=CC(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005021994	0	31	-1.0	-37.57	277.72	2.30	-35.27
CCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021995	0	38	-1.0	-35.61	314.73	3.42	-32.19
CCCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005021996	0	41	-1.0	-35.53	336.22	4.20	-31.33
CN(C)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005021997	0	36	-1.0	-38.80	306.49	2.63	-36.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=CC=C1	REAL250005021998	0	35	-1.0	-37.53	304.07	4.13	-33.40
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCCC1	REAL250005021999	0	37	-1.0	-38.42	300.39	4.34	-34.08
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=N1	REAL250005022000	0	30	-1.0	-42.88	278.42	0.75	-42.13
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1Cl	REAL250005022001	0	24	-1.0	-41.14	246.90	1.38	-39.76
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1F	REAL250005022002	0	24	-1.0	-42.23	237.41	1.00	-41.23
CC(=O)NCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022003	0	36	-1.0	-42.34	311.02	-0.57	-42.91
O=C(CSC1=CC=CC=[N+]1[O-])NCC1=NC(=O)O[N-]1	REAL250005022004	0	28	-1.0	-56.33	270.23	0.69	-55.64
COCCN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005022005	0	35	-1.0	-39.70	303.48	-1.30	-41.00
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CC2)C1	REAL250005022006	0	32	-1.0	-42.17	274.83	0.25	-41.92
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005022007	0	29	-1.0	-38.47	273.29	-0.03	-38.50
CC(C)C(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022008	0	40	-1.0	-40.04	322.00	1.43	-38.61
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CC=CN2N=C1	REAL250005022009	0	26	-1.0	-48.36	245.42	-0.04	-48.40
CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022010	0	37	-1.0	-36.33	309.68	-1.24	-37.57
O=C(NCC1=NC(=O)O[N-]1)C(=O)NC1=CC=C(Cl)C=C1	REAL250005022011	0	28	-1.0	-37.03	275.03	-0.17	-37.20
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CS2)=C1	REAL250005022012	0	27	-1.0	-38.68	271.79	1.23	-37.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=NNC=C21	REAL250005022013	0	27	-1.0	-38.19	246.04	-0.29	-38.48
CC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL250005022014	0	31	-1.0	-36.57	276.24	1.67	-34.90
COC1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL250005022015	0	32	-1.0	-38.22	284.28	0.28	-37.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=CC=C2N1	REAL250005022016	0	28	-1.0	-34.90	271.58	1.51	-33.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1O	REAL250005022017	0	31	-1.0	-39.46	275.99	1.88	-37.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1O	REAL250005022018	0	25	-1.0	-38.25	246.69	0.11	-38.14
O=C(CCNC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005022019	0	32	-1.0	-37.04	280.77	0.65	-36.39
CC1=CC=CC=C1NCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022020	0	35	-1.0	-37.14	298.58	1.45	-35.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CNN=C2C=C1	REAL250005022021	0	27	-1.0	-43.01	247.19	-0.24	-43.25
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CO2)=N1	REAL250005022022	0	27	-1.0	-44.91	270.93	-0.11	-45.02
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1O	REAL250005022023	0	29	-1.0	-40.42	259.16	-0.65	-41.07
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1	REAL250005022024	0	29	-1.0	-38.57	259.35	-1.10	-39.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1O	REAL250005022025	0	25	-1.0	-36.29	246.68	0.11	-36.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(O)C(Cl)=C1	REAL250005022026	1	25	-1.0	-36.37	248.11	-1.24	-37.61
O=C(CC1=CN2C=CC=CC2=N1)NCC1=NC(=O)O[N-]1	REAL250005022027	0	30	-1.0	-47.54	271.85	2.34	-45.20
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C2=CC=CC=C2C=C1	REAL250005022028	0	31	-1.0	-39.94	274.90	1.93	-38.01
COC1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022029	0	29	-1.0	-41.00	259.42	-1.13	-42.13
CC(OC1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022031	0	31	-1.0	-41.34	277.53	2.30	-39.04
O=C(CCOCC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL250005022032	0	27	-1.0	-36.34	260.83	-0.75	-37.09
CN1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005022033	0	31	-1.0	-40.85	263.86	-0.74	-41.59
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)CCC1=O	REAL250005022034	0	30	-1.0	-44.55	264.56	0.10	-44.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)C=C1	REAL250005022035	0	31	-1.0	-38.79	276.92	3.45	-35.34
C=CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022036	0	32	-1.0	-36.57	285.29	1.87	-34.70
C=CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022037	0	32	-1.0	-41.54	283.21	3.11	-38.43
CN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005022038	0	27	-1.0	-42.53	246.30	-0.15	-42.68
CC1=C(C)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2N1	REAL250005022039	0	34	-1.0	-38.94	291.63	2.42	-36.52
NC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022040	0	28	-1.0	-45.08	255.63	-2.16	-47.24
NC(=O)COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022041	0	32	-1.0	-48.78	289.19	-1.54	-50.32
O=C(CN1CCS(=O)(=O)CC1)NCC1=NC(=O)O[N-]1	REAL250005022042	0	32	-1.0	-42.96	279.87	-4.70	-47.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CO2)=NN1	REAL250005022043	0	28	-1.0	-37.25	265.68	-0.78	-38.03
O=C(CN1C=C([N+](=O)[O-])C=N1)NCC1=NC(=O)O[N-]1	REAL250005022044	0	26	-1.0	-42.71	256.14	-0.12	-42.83
COC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022045	0	32	-1.0	-40.03	288.21	-0.72	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)N=C1	REAL250005022046	0	30	-1.0	-39.56	274.18	2.73	-36.83
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CC1	REAL250005022047	0	31	-1.0	-36.21	288.61	3.28	-32.93
CCN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005022048	0	31	-1.0	-39.25	270.13	-0.40	-39.65
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1Cl	REAL250005022049	0	25	-1.0	-34.13	259.31	1.33	-32.80
CC(C)CN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005022050	0	37	-1.0	-38.76	307.07	0.92	-37.84
O=C(NCC1=NC(=O)O[N-]1)C1=NNC2=C1CCCC2	REAL250005022051	0	31	-1.0	-41.79	265.28	-0.12	-41.91
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCC2=NN1	REAL250005022051	1	31	-1.0	-36.29	264.16	-0.07	-36.36
O=C(COC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL250005022052	0	30	-1.0	-42.80	282.88	2.29	-40.51
O=C(NCC1=NC(=O)O[N-]1)C1=COC(Br)=C1	REAL250005022053	0	21	-1.0	-35.14	226.20	-0.25	-35.39
O=C(COC1=CC=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL250005022054	0	28	-1.0	-40.06	267.30	1.75	-38.31
CC1=CC=C(OCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005022055	0	37	-1.0	-36.96	317.10	2.78	-34.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCC2=C1	REAL250005022056	0	29	-1.0	-37.70	257.02	0.90	-36.80
CC(OC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022057	0	31	-1.0	-39.57	287.33	2.76	-36.81
O=C(CCOC1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005022058	0	31	-1.0	-36.21	282.03	1.43	-34.78
O=C(CCOC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005022059	0	31	-1.0	-35.96	282.03	1.43	-34.53
CCCCNC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022060	0	38	-1.0	-37.14	315.31	2.58	-34.56
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL250005022061	0	27	-1.0	-47.83	248.73	-2.59	-50.42
CN(C)C(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022062	0	39	-1.0	-42.50	309.65	0.31	-42.19
O=C(CCOC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005022063	0	31	-1.0	-35.87	292.35	1.88	-33.99
O=C(CSC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL250005022064	0	21	-1.0	-34.53	228.53	-0.22	-34.75
CC(OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022065	0	34	-1.0	-39.18	300.01	2.82	-36.36
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=C1	REAL250005022066	0	31	-1.0	-44.23	282.50	2.19	-42.04
CN(CC(=O)NCC1=NC(=O)O[N-]1)S(C)(=O)=O	REAL250005022067	0	28	-1.0	-49.00	263.49	-3.80	-52.80
O=C(CCN1C=CC=CC1=O)NCC1=NC(=O)O[N-]1	REAL250005022068	0	30	-1.0	-45.33	270.95	0.80	-44.53
O=C(CC1=CC=C(N2C=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL250005022069	0	35	-1.0	-38.71	306.64	4.51	-34.20
O=C(CN1C=CC=NC1=O)NCC1=NC(=O)O[N-]1	REAL250005022070	0	26	-1.0	-52.13	244.87	-1.81	-53.94
CCCCCCOCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022071	0	36	-1.0	-37.61	306.31	2.21	-35.40
COC1=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC=C1	REAL250005022072	0	31	-1.0	-43.13	281.86	0.72	-42.41
O=C(CCOC1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005022073	0	31	-1.0	-37.20	291.65	1.92	-35.28
O=C(CCCNC(=O)C1CC1)NCC1=NC(=O)O[N-]1	REAL250005022074	0	34	-1.0	-40.87	298.85	-0.55	-41.42
CC1=CC=CC(C)=C1OCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022075	0	37	-1.0	-37.31	317.37	2.90	-34.41
CN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022076	0	31	-1.0	-39.34	270.89	0.88	-38.46
CCN1N=C(C(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022077	0	36	-1.0	-35.55	305.57	1.48	-34.07
CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=CS1	REAL250005022078	0	31	-1.0	-44.70	286.71	0.43	-44.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=N2)O1	REAL250005022079	0	31	-1.0	-40.77	289.64	0.89	-39.88
COCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022080	0	31	-1.0	-36.65	269.00	0.96	-35.69
CC(C)(C)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005022081	0	37	-1.0	-38.43	302.21	0.70	-37.73
O=C(CN1CCCCC1=O)NCC1=NC(=O)O[N-]1	REAL250005022082	0	31	-1.0	-42.88	266.23	0.04	-42.84
O=C(CN1CCCNC1=O)NCC1=NC(=O)O[N-]1	REAL250005022083	0	30	-1.0	-45.29	260.99	-2.08	-47.37
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC=C2C1=O	REAL250005022084	0	30	-1.0	-56.28	270.14	1.17	-55.11
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C#N	REAL250005022085	0	27	-1.0	-38.15	258.54	0.18	-37.97
CC(=O)NC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005022086	0	27	-1.0	-41.16	264.99	-1.88	-43.04
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2CC2)C1	REAL250005022087	0	38	-1.0	-42.55	312.22	1.61	-40.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2N1	REAL250005022088	0	28	-1.0	-35.29	271.59	1.48	-33.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)NC2=C1	REAL250005022089	0	28	-1.0	-38.78	256.83	-2.14	-40.92
CC(C)C1=NOC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022090	0	34	-1.0	-37.55	301.03	-0.80	-38.35
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005022091	0	27	-1.0	-36.19	248.51	-2.22	-38.41
CC1=NC(C)=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005022092	0	32	-1.0	-46.57	283.66	-1.08	-47.65
CC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022093	0	32	-1.0	-41.27	288.55	2.22	-39.05
CC1=NOC(CCCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022094	0	31	-1.0	-41.55	280.22	-1.09	-42.64
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=C1C(=O)CCC2	REAL250005022095	0	33	-1.0	-41.77	287.46	1.54	-40.23
CCC(CC)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005022096	0	40	-1.0	-38.70	326.54	2.33	-36.37
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=CC=C1	REAL250005022097	0	32	-1.0	-42.33	284.98	2.57	-39.76
CC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022098	0	29	-1.0	-38.24	261.63	1.45	-36.79
N#CC(=CC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022099	0	29	-1.0	-41.47	277.65	2.38	-39.09
NC(=S)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022100	0	28	-1.0	-42.15	268.80	0.28	-41.87
O=C(C=CC1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005022101	0	28	-1.0	-39.78	269.36	2.42	-37.36
O=C(CCCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005022102	0	33	-1.0	-37.53	288.64	3.32	-34.21
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CNC2=CC=C1	REAL250005022103	0	28	-1.0	-42.58	250.22	1.06	-41.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1C=CC=N1	REAL250005022104	0	31	-1.0	-42.81	279.62	2.74	-40.07
O=C(CCOC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL250005022105	0	31	-1.0	-35.54	292.35	1.88	-33.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=C2)C=C1	REAL250005022106	0	34	-1.0	-42.85	304.40	4.32	-38.53
O=C(CCOCC1CCCO1)NCC1=NC(=O)O[N-]1	REAL250005022107	0	35	-1.0	-38.35	298.34	-0.76	-39.11
O=C(COCCOC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005022108	0	35	-1.0	-42.61	310.15	1.86	-40.75
COC1=CC=CC(COCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022109	0	35	-1.0	-41.54	309.73	1.42	-40.12
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL250005022110	0	27	-1.0	-37.13	255.12	-0.40	-37.53
COCCS(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022111	0	30	-1.0	-47.57	282.40	-4.29	-51.86
O=C(CCCN1C(=O)CCC1=O)NCC1=NC(=O)O[N-]1	REAL250005022112	0	33	-1.0	-45.28	293.98	-0.01	-45.29
CCN1CCN(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)C1=O	REAL250005022113	0	35	-1.0	-52.55	306.10	0.06	-52.49
CN(C)C1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022114	0	31	-1.0	-38.45	270.77	0.69	-37.76
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C(C)C)=N1	REAL250005022115	0	32	-1.0	-36.03	289.50	0.88	-35.15
CCCC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005022116	0	32	-1.0	-35.88	290.22	1.06	-34.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C=CNC2=C1	REAL250005022117	0	28	-1.0	-40.06	252.37	1.09	-38.97
CC1=CC(NC(=O)C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005022118	0	27	-1.0	-37.15	254.63	-1.50	-38.65
CC(C)OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022119	0	33	-1.0	-36.32	290.23	-0.40	-36.72
O=C(CC1=NN2C=CC=NC2=N1)NCC1=NC(=O)O[N-]1	REAL250005022120	0	28	-1.0	-51.89	262.96	1.63	-50.26
CC(C)CS(=O)(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022121	0	35	-1.0	-42.85	307.58	-1.23	-44.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NO1	REAL250005022122	0	30	-1.0	-38.01	279.79	2.05	-35.96
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C(C)(C)C	REAL250005022123	0	36	-1.0	-39.77	294.64	1.07	-38.70
NC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN1	REAL250005022124	0	26	-1.0	-45.02	245.24	-4.39	-49.41
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL250005022125	0	34	-1.0	-39.39	301.34	2.85	-36.54
O=C(CS(=O)(=O)C1CCCC1)NCC1=NC(=O)O[N-]1	REAL250005022126	0	33	-1.0	-47.52	292.09	-1.34	-48.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CS2)=NN1	REAL250005022127	0	28	-1.0	-36.07	274.81	0.22	-35.85
CC(C)CC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022128	0	33	-1.0	-35.23	283.53	0.43	-34.80
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL250005022129	0	30	-1.0	-39.77	264.01	0.02	-39.75
CCC(OC1=CC=CC=C1C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022130	0	37	-1.0	-37.83	306.46	3.54	-34.29
CC(C)C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022131	0	30	-1.0	-35.36	265.15	-0.62	-35.98
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NCC1=NC(=O)O[N-]1	REAL250005022132	0	34	-1.0	-41.90	304.11	2.93	-38.97
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC1=O	REAL250005022133	0	27	-1.0	-39.53	245.91	-0.16	-39.69
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL250005022134	0	33	-1.0	-39.71	285.53	0.80	-38.91
CC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL250005022135	0	34	-1.0	-47.75	295.97	0.83	-46.92
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C(C)(C)C	REAL250005022136	0	36	-1.0	-43.38	298.44	1.07	-42.31
CC(C)CS(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022137	0	32	-1.0	-48.08	285.48	-1.80	-49.88
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022138	0	31	-1.0	-37.39	278.08	1.87	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCC2)NC1=O	REAL250005022139	0	31	-1.0	-51.24	268.98	0.09	-51.15
O=C(CN1CCCCCCC1=O)NCC1=NC(=O)O[N-]1	REAL250005022140	0	37	-1.0	-41.61	291.14	1.39	-40.22
CC1=NN(C(C)CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005022141	0	36	-1.0	-37.56	306.34	1.42	-36.14
N#CCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022142	0	28	-1.0	-43.19	263.37	2.21	-40.98
COC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022143	0	29	-1.0	-41.91	274.09	-0.07	-41.98
CCCCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022144	0	44	-1.0	-35.54	357.72	4.98	-30.56
COC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022145	0	30	-1.0	-40.44	275.89	1.71	-38.73
CC(NC(=O)C1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022146	0	37	-1.0	-37.10	308.04	-0.03	-37.13
CC(C)(C)C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022147	0	33	-1.0	-35.47	285.18	-0.03	-35.50
CC1=CC=C(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL250005022148	0	31	-1.0	-37.33	287.59	0.04	-37.29
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=NC2=NN1	REAL250005022149	0	29	-1.0	-45.34	264.18	-0.41	-45.75
CC(C)(C)N1C=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022150	0	35	-1.0	-39.14	306.50	0.68	-38.46
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=CC=CN21	REAL250005022151	0	27	-1.0	-42.77	268.48	1.71	-41.06
O=C(CN1C=CC([N+](=O)[O-])=N1)NCC1=NC(=O)O[N-]1	REAL250005022152	0	26	-1.0	-48.32	256.42	0.83	-47.49
O=C(CCCC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL250005022153	0	33	-1.0	-37.38	305.38	3.84	-33.54
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C(C)(C)C	REAL250005022154	0	39	-1.0	-39.86	311.22	1.62	-38.24
O=C(COC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005022155	0	34	-1.0	-37.60	282.21	1.72	-35.88
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=CC=C2N1	REAL250005022156	0	28	-1.0	-36.83	269.54	1.51	-35.32
O=C(CN1CCCS1(=O)=O)NCC1=NC(=O)O[N-]1	REAL250005022157	0	29	-1.0	-48.20	268.34	-3.47	-51.67
CC(SCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022158	0	34	-1.0	-38.09	308.72	3.66	-34.43
CCCOC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022159	0	34	-1.0	-38.01	293.96	2.07	-35.94
O=C(CC1=CSC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005022160	0	30	-1.0	-38.62	282.09	3.09	-35.53
O=C(NCC1=NC(=O)O[N-]1)C1=CSC([N+](=O)[O-])=C1	REAL250005022161	0	23	-1.0	-36.07	242.45	0.80	-35.27
O=C(NCC1=NC(=O)O[N-]1)C1CCCC(C(F)(F)F)C1	REAL250005022162	0	33	-1.0	-36.30	284.29	2.22	-34.08
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC=C1	REAL250005022163	0	27	-1.0	-36.58	255.36	1.82	-34.76
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=C2)=NO1	REAL250005022164	0	32	-1.0	-40.40	289.18	2.39	-38.01
O=C(CNC(=O)CC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL250005022165	0	27	-1.0	-40.02	262.12	-2.35	-42.37
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1Cl	REAL250005022166	0	30	-1.0	-39.89	284.65	0.67	-39.22
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC1=O	REAL250005022167	0	34	-1.0	-42.28	298.99	0.46	-41.82
CC(C)C1=NN(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022168	0	33	-1.0	-38.43	285.73	0.71	-37.72
CC(C)C1=NC=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022169	0	31	-1.0	-35.41	271.80	0.98	-34.43
CC1=NN(C(C)(C)C)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022170	0	39	-1.0	-40.14	321.30	1.53	-38.61
O=C(CCC1=CC=C(Cl)S1)NCC1=NC(=O)O[N-]1	REAL250005022171	0	27	-1.0	-35.41	274.42	2.24	-33.17
CC(C)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022172	0	39	-1.0	-36.08	327.37	4.47	-31.61
CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022173	0	30	-1.0	-36.32	270.09	-1.30	-37.62
O=C(CCN1CCCS1(=O)=O)NCC1=NC(=O)O[N-]1	REAL250005022174	0	32	-1.0	-47.04	289.37	-2.93	-49.97
CC(SC1=NN=CN1C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022175	0	30	-1.0	-42.03	280.21	2.13	-39.90
COC1=CC=C(COCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022176	0	35	-1.0	-40.77	309.73	1.42	-39.35
CC(NC(=O)C1=COC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022177	0	31	-1.0	-40.18	283.05	-1.65	-41.83
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL250005022178	0	27	-1.0	-39.60	260.52	-0.21	-39.81
CC1=CC(C)=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL250005022179	0	37	-1.0	-38.40	314.95	4.07	-34.33
CCC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022180	0	34	-1.0	-47.47	297.79	0.75	-46.72
CC(=O)NC1=C(C)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022181	0	34	-1.0	-39.75	290.75	1.15	-38.60
CCC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005022182	0	37	-1.0	-45.10	302.84	0.88	-44.22
CCC(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022183	0	37	-1.0	-46.94	298.09	2.05	-44.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCO2	REAL250005022184	0	27	-1.0	-40.73	246.49	0.33	-40.40
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)N=CS1	REAL250005022185	0	20	-1.0	-37.26	222.23	-1.36	-38.62
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC2=CC=CC=C12	REAL250005022186	0	32	-1.0	-43.17	282.53	2.03	-41.14
N#CC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022187	0	29	-1.0	-40.82	275.51	2.01	-38.81
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=NC=C2)=C1	REAL250005022188	0	29	-1.0	-39.25	274.99	0.33	-38.92
CC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005022189	0	37	-1.0	-42.96	297.48	0.19	-42.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CN=CO2)C=C1	REAL250005022190	0	30	-1.0	-39.30	275.41	-0.56	-39.86
CC1=NN2C=CC=NC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022191	0	29	-1.0	-48.12	269.28	0.46	-47.66
CC(C)SC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022192	0	34	-1.0	-35.89	298.90	3.44	-32.45
O=C(CSCC1=CC=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005022193	0	30	-1.0	-40.91	285.16	1.26	-39.65
O=C(CSCC1=CC=NC=C1)NCC1=NC(=O)O[N-]1	REAL250005022194	0	30	-1.0	-39.44	285.05	1.34	-38.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CN=C2)=C1	REAL250005022195	0	30	-1.0	-37.49	274.50	2.75	-34.74
O=C(CCSCC1=CC=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005022196	0	33	-1.0	-39.11	306.83	2.06	-37.05
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(F)C=C1[N+](=O)[O-]	REAL250005022197	0	28	-1.0	-33.46	261.92	0.19	-33.27
O=C(NCC1=NC(=O)O[N-]1)C1=NOC2=C1CCCC2	REAL250005022198	0	30	-1.0	-40.42	261.62	1.02	-39.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])N1	REAL250005022199	0	24	-1.0	-36.30	238.67	0.47	-35.83
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005022200	0	27	-1.0	-52.86	244.75	-1.16	-54.02
CC(C)CC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005022201	0	42	-1.0	-37.07	337.71	1.09	-35.98
CC(CC(=O)NCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005022202	0	38	-1.0	-35.37	292.96	2.33	-33.04
CN1N=C(C(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022203	0	36	-1.0	-35.59	303.60	1.25	-34.34
CC(=O)NC1=CC(F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022204	0	31	-1.0	-36.70	277.91	0.46	-36.24
COC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022205	0	32	-1.0	-40.80	284.16	0.91	-39.89
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NCC1=NC(=O)O[N-]1	REAL250005022206	0	32	-1.0	-43.24	285.00	1.44	-41.80
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=C(Cl)C=N1	REAL250005022207	0	27	-1.0	-37.71	261.54	0.15	-37.56
CC(C)SC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022208	0	34	-1.0	-39.40	294.57	3.44	-35.96
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CNC2=CC(F)=C1	REAL250005022209	0	27	-1.0	-45.74	252.71	0.92	-44.82
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC=NC2=CC(F)=C1	REAL250005022209	1	27	-1.0	-37.94	251.24	0.92	-37.02
CCC1=NOC(CCCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022210	0	34	-1.0	-41.46	301.70	-0.48	-41.94
CCCC1=NOC(CCCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022211	0	37	-1.0	-41.24	323.20	0.29	-40.95
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C)=C1C(C)=O	REAL250005022212	0	36	-1.0	-39.33	314.75	1.39	-37.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL250005022213	0	26	-1.0	-35.40	253.85	1.79	-33.61
CC(C)(C)NS(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022214	0	34	-1.0	-44.12	290.20	-3.52	-47.64
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2NC=CC=C12	REAL250005022215	0	27	-1.0	-49.86	246.05	0.39	-49.47
O=C(CCN1C=C(Cl)C=N1)NCC1=NC(=O)O[N-]1	REAL250005022216	0	27	-1.0	-36.85	265.21	0.21	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2)C1	REAL250005022217	0	32	-1.0	-38.16	289.55	1.38	-36.78
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL250005022218	0	33	-1.0	-35.72	293.11	3.16	-32.56
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022219	0	31	-1.0	-36.52	275.55	3.04	-33.48
O=C(CCC1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005022220	0	36	-1.0	-37.70	313.26	4.79	-32.91
CC(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022221	0	34	-1.0	-47.03	276.85	1.28	-45.75
O=C(CNC(=O)NC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005022222	0	39	-1.0	-38.74	323.00	-1.37	-40.11
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC2=CC=CC=C21	REAL250005022223	0	29	-1.0	-41.09	257.84	1.55	-39.54
CC(C)S(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022224	0	29	-1.0	-47.83	265.96	-2.75	-50.58
CCCC(C)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005022225	0	40	-1.0	-38.77	327.56	2.04	-36.73
CC(C)C(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022226	0	40	-1.0	-47.03	316.85	2.58	-44.45
CCCC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005022227	0	40	-1.0	-42.52	323.98	1.64	-40.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=NC=CN=C12	REAL250005022228	0	28	-1.0	-41.21	261.56	-0.01	-41.22
CCOC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022229	0	31	-1.0	-38.35	272.46	1.27	-37.08
CN1C=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022230	0	30	-1.0	-39.63	269.96	0.32	-39.31
O=C(CC1=CC2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL250005022231	0	30	-1.0	-41.32	273.63	2.26	-39.06
O=C(CSC1=NN=CS1)NCC1=NC(=O)O[N-]1	REAL250005022232	0	23	-1.0	-38.71	247.45	-1.51	-40.22
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CCSCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022240	0	34	-1.0	-37.84	308.71	3.82	-34.02
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CC(OC1=CC=CC(C#N)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022268	0	32	-1.0	-40.09	292.16	2.62	-37.47
NC(=O)C1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022269	0	32	-1.0	-43.76	289.11	-1.59	-45.35
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CCC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005022290	0	29	-1.0	-40.62	272.67	0.35	-40.27
CC(=O)NC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022291	0	31	-1.0	-40.19	281.77	0.02	-40.17
CC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005022292	0	31	-1.0	-42.76	283.12	0.06	-42.70
CC1=NOC(Cl)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022293	0	29	-1.0	-36.11	279.91	1.12	-34.99
COCCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022294	0	35	-1.0	-44.21	303.93	1.76	-42.45
COCCOC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022295	0	35	-1.0	-40.92	306.09	0.54	-40.38
CCSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005022296	0	30	-1.0	-35.84	281.27	1.32	-34.52
CCOC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022297	0	37	-1.0	-37.32	318.51	2.76	-34.56
CC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL250005022298	0	34	-1.0	-38.34	293.29	3.43	-34.91
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=C(C)C=CC=C12	REAL250005022299	0	33	-1.0	-40.36	291.55	2.79	-37.57
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CC1=C(C)N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)S1	REAL250005022301	0	30	-1.0	-42.86	277.78	0.47	-42.39
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CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005022303	0	27	-1.0	-35.86	259.80	0.45	-35.41
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CC1CCCCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022306	0	36	-1.0	-35.46	282.57	2.48	-32.98
COCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005022307	0	27	-1.0	-41.95	263.98	-2.20	-44.15
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CCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005022309	0	26	-1.0	-36.13	251.72	-0.35	-36.48
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CN(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005022312	0	35	-1.0	-37.34	296.27	0.80	-36.54
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL250005022313	0	29	-1.0	-40.35	270.72	2.38	-37.97
O=C(CCC1=CSC=N1)NCC1=NC(=O)O[N-]1	REAL250005022314	0	26	-1.0	-37.68	251.45	-0.44	-38.12
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)C=CS1	REAL250005022315	0	28	-1.0	-37.94	258.87	2.15	-35.79
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NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005022317	0	27	-1.0	-40.80	253.04	-3.91	-44.71
CC1=NN(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL250005022318	0	34	-1.0	-44.42	301.45	2.83	-41.59
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL250005022319	0	32	-1.0	-37.07	290.50	2.34	-34.73
O=C(CCCN1C=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005022320	0	30	-1.0	-42.64	269.64	0.51	-42.13
O=C(CC1=NNC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005022321	0	30	-1.0	-41.25	272.84	0.30	-40.95
O=C(CC1=C2C=CC=CC2=NN1)NCC1=NC(=O)O[N-]1	REAL250005022321	1	30	-1.0	-41.47	272.64	0.29	-41.18
COC(=O)NC(CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022322	0	37	-1.0	-36.06	308.07	-0.76	-36.82
CN1C=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL250005022327	0	34	-1.0	-41.67	300.10	3.51	-38.16
CC(OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022328	0	34	-1.0	-39.18	300.01	2.82	-36.36
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022329	0	37	-1.0	-36.30	309.68	-1.24	-37.54
CC(C)(C)OC(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022330	0	34	-1.0	-36.78	290.12	-2.14	-38.92
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022331	0	37	-1.0	-36.33	309.70	-1.24	-37.57
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005022332	0	31	-1.0	-35.88	281.95	3.11	-32.77
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022333	0	36	-1.0	-35.40	291.14	3.29	-32.11
CCCCC(NC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022334	0	35	-1.0	-44.34	294.38	-2.19	-46.53
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CC1=NC([N+](=O)[O-])=CN1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022337	0	32	-1.0	-43.16	297.87	2.72	-40.44
CCN(CC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022338	0	37	-1.0	-39.09	313.24	2.77	-36.32
CN1C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005022339	0	31	-1.0	-39.18	278.60	-0.10	-39.28
CN(C)C(=O)CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005022340	0	33	-1.0	-54.63	299.38	-2.18	-56.81
CC(C)CCOC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022341	0	36	-1.0	-37.16	300.67	1.86	-35.30
CC(C)OC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022342	0	37	-1.0	-39.16	315.04	2.58	-36.58
O=C(COCCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005022343	0	34	-1.0	-38.40	301.72	2.90	-35.50
CC(OCC1CCCO1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022344	0	35	-1.0	-41.60	297.18	0.25	-41.35
CC(C)CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005022345	0	32	-1.0	-40.51	290.04	0.76	-39.75
CC1=CC=C(CCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022346	0	39	-1.0	-36.89	331.55	4.78	-32.11
CC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005022347	0	26	-1.0	-36.57	254.76	-1.08	-37.65
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2CC2)=N1	REAL250005022348	0	27	-1.0	-40.87	260.17	0.27	-40.60
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C(C)(C)C)=N1	REAL250005022349	0	35	-1.0	-36.21	307.36	1.35	-34.86
O=C(NCC1=NC(=O)O[N-]1)C1(C(=O)NC2CC2)CC1	REAL250005022350	0	32	-1.0	-39.31	289.03	-0.80	-40.11
CC1=NN=C2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN12	REAL250005022351	0	29	-1.0	-39.14	263.96	2.16	-36.98
CC1=CN(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL250005022352	0	34	-1.0	-40.17	300.82	3.88	-36.29
CC(OCC1CCCCO1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022353	0	38	-1.0	-40.57	314.50	1.12	-39.45
CC1=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC=C1	REAL250005022354	0	30	-1.0	-39.64	273.77	2.11	-37.53
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1CC1	REAL250005022355	0	31	-1.0	-39.69	271.42	0.68	-39.01
CC1=CC=CC=C1C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022356	0	36	-1.0	-36.77	287.89	2.96	-33.81
COC1=CC=CC=C1C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022357	0	37	-1.0	-39.19	301.85	2.86	-36.33
NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005022358	0	25	-1.0	-37.35	251.01	-3.08	-40.43
CN(C)C1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022359	0	31	-1.0	-41.04	270.15	-0.25	-41.29
CC1=NN(C)C(C)=C1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022360	0	36	-1.0	-40.97	295.22	0.85	-40.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2COCC2=C1	REAL250005022361	0	29	-1.0	-36.91	257.11	0.35	-36.56
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=NN=C2C=C1	REAL250005022362	0	26	-1.0	-39.20	242.10	2.33	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCCO2	REAL250005022363	0	30	-1.0	-41.04	263.35	1.33	-39.71
COC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022364	0	37	-1.0	-39.03	318.15	2.62	-36.41
CC(CC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022365	0	33	-1.0	-35.81	288.92	3.07	-32.74
CC(CC1=CC=CC(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022366	0	33	-1.0	-36.14	288.93	3.07	-33.07
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1CCCC1=O	REAL250005022367	0	37	-1.0	-45.17	300.02	3.23	-41.94
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)OC1(C)C	REAL250005022368	0	31	-1.0	-48.65	271.74	1.15	-47.50
COC1=CC(Cl)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022369	0	28	-1.0	-37.91	265.16	2.13	-35.78
CC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022370	0	29	-1.0	-41.27	265.39	2.40	-38.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=NC=N2)=C1	REAL250005022371	0	29	-1.0	-39.55	271.83	2.92	-36.63
O=C(CC1C(=O)NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005022372	0	32	-1.0	-43.37	282.99	1.40	-41.97
O=C(C=CC1=CSC=N1)NCC1=NC(=O)O[N-]1	REAL250005022373	0	24	-1.0	-40.12	242.07	-0.57	-40.69
CCC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005022374	0	29	-1.0	-36.26	268.73	0.28	-35.98
CCN(CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005022375	1	38	-1.0	-38.87	318.98	0.41	-38.46
CN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005022376	0	32	-1.0	-35.67	281.80	0.59	-35.08
CC(C)C1=NC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022377	0	31	-1.0	-36.90	289.45	0.81	-36.09
CN1C=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022378	0	26	-1.0	-40.03	246.67	-1.32	-41.35
O=C(CCCOCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005022379	0	37	-1.0	-39.26	322.67	2.60	-36.66
CCCN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022380	0	38	-1.0	-38.42	315.71	3.16	-35.26
CC1=NC([N+](=O)[O-])=CN1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022381	0	29	-1.0	-44.97	277.76	2.24	-42.73
O=C(CCN1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005022382	0	33	-1.0	-36.44	274.07	-2.79	-39.23
CC1=NOC(Cl)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022383	0	26	-1.0	-37.16	258.51	0.31	-36.85
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005022384	0	39	-1.0	-35.22	300.43	3.11	-32.11
NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL250005022385	0	25	-1.0	-36.19	248.35	-1.54	-37.73
O=C(CC1=CNC2=CC(F)=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005022386	0	31	-1.0	-39.94	284.07	1.86	-38.08
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL250005022387	0	30	-1.0	-36.72	276.58	1.79	-34.93
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C2=CC=CC=C2)=N1	REAL250005022388	0	34	-1.0	-37.00	300.91	2.10	-34.90
NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022389	0	27	-1.0	-36.78	253.04	-3.88	-40.66
CCCC1=NNC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022390	0	30	-1.0	-37.39	264.31	-0.41	-37.80
CN(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022391	0	35	-1.0	-36.55	296.91	0.72	-35.83
CC(OC1=CC=C(F)C(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022392	0	31	-1.0	-37.24	284.80	2.32	-34.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=NC=C1	REAL250005022393	0	34	-1.0	-37.13	298.46	2.38	-34.75
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC1	REAL250005022394	0	24	-1.0	-36.56	232.55	0.44	-36.12
CCN1N=C(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022395	0	30	-1.0	-35.80	265.07	0.23	-35.57
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC2=CC=CC=C21	REAL250005022396	0	37	-1.0	-37.08	292.79	3.86	-33.22
O=C(COC1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL250005022397	0	27	-1.0	-39.51	249.55	-0.17	-39.68
CC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=CNC2=C1	REAL250005022398	0	34	-1.0	-41.05	299.03	2.44	-38.61
O=C(CCN1C=CNC(=O)C1=O)NCC1=NC(=O)O[N-]1	REAL250005022399	0	30	-1.0	-50.14	276.63	-1.22	-51.36
O=C(CCNC(=O)C1CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005022400	0	40	-1.0	-42.63	328.01	0.44	-42.19
CCC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005022401	0	29	-1.0	-36.47	276.25	-0.34	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NN=C2)C=C1	REAL250005022402	0	30	-1.0	-41.53	271.89	4.02	-37.51
CC1=CC([N+](=O)[O-])=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022403	0	29	-1.0	-34.57	265.36	2.40	-32.17
CCN(CC)C(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022404	0	39	-1.0	-45.01	326.39	1.72	-43.29
O=C(CNC(=O)CC1CCCC1)NCC1=NC(=O)O[N-]1	REAL250005022405	0	37	-1.0	-37.54	307.90	-0.15	-37.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1CC1	REAL250005022406	0	35	-1.0	-41.64	301.98	4.11	-37.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1F	REAL250005022407	0	24	-1.0	-39.36	231.98	1.19	-38.17
CCN1N=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005022408	0	33	-1.0	-40.05	291.24	0.66	-39.39
O=C(CCC1=CC=CC(F)=C1F)NCC1=NC(=O)O[N-]1	REAL250005022409	0	30	-1.0	-39.69	278.90	2.62	-37.07
CC1CCCC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005022410	0	36	-1.0	-35.56	286.42	2.61	-32.95
N#CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022411	0	28	-1.0	-38.30	266.60	2.12	-36.18
COC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022412	0	35	-1.0	-39.49	303.53	2.26	-37.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)C=C1	REAL250005022413	0	27	-1.0	-36.94	253.27	1.92	-35.02
CC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022414	0	34	-1.0	-36.72	290.25	3.32	-33.40
CCCCCCCCCC=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022415	0	45	-1.0	-36.09	370.89	5.57	-30.52
CN1C=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005022416	0	31	-1.0	-43.02	272.64	2.78	-40.24
CC(C)(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005022417	0	32	-1.0	-40.73	290.40	0.59	-40.14
CC(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005022418	0	29	-1.0	-40.38	271.45	0.07	-40.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)N=N1	REAL250005022419	0	34	-1.0	-41.63	292.46	-0.30	-41.93
O=C(CNC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005022420	0	29	-1.0	-35.33	275.37	0.54	-34.79
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1C=C([N+](=O)[O-])C=N1	REAL250005022421	0	32	-1.0	-40.59	290.59	1.12	-39.47
CC1=CC2=CNN=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022422	0	30	-1.0	-49.14	269.01	0.50	-48.64
COC(=O)CSCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022423	0	30	-1.0	-39.47	285.73	0.90	-38.57
O=C(CCC1CCCC1)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022424	0	40	-1.0	-37.49	331.32	0.65	-36.84
CC1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022425	0	34	-1.0	-38.21	300.19	2.81	-35.40
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCOCC1	REAL250005022426	0	33	-1.0	-36.80	264.10	-3.21	-40.01
CC1=NC=CN1CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022427	0	33	-1.0	-42.11	288.87	1.90	-40.21
CC(C)(C)C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005022428	0	35	-1.0	-39.27	312.49	1.22	-38.05
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL250005022429	0	33	-1.0	-38.13	285.63	2.99	-35.14
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL250005022430	0	26	-1.0	-34.97	258.38	1.41	-33.56
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)NCC1=NC(=O)O[N-]1	REAL250005022431	0	29	-1.0	-42.52	278.12	0.98	-41.54
O=C(CC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005022432	0	27	-1.0	-37.07	262.48	2.24	-34.83
CC1=NSC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005022434	0	28	-1.0	-36.91	268.32	-0.12	-37.03
O=C(CNC(=O)CC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005022435	0	40	-1.0	-37.50	324.56	0.49	-37.01
CC1=NOC(C)=C1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022436	0	32	-1.0	-38.60	273.73	0.90	-37.70
CS(=O)(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005022437	0	33	-1.0	-42.27	282.65	-1.73	-44.00
CC(C)OC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022438	0	37	-1.0	-39.28	313.85	2.64	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)N=N1	REAL250005022439	0	29	-1.0	-43.82	271.69	1.62	-42.20
CC1=CC=CN2C=C(CC(=O)NCC3=NC(=O)O[N-]3)N=C12	REAL250005022440	0	33	-1.0	-47.56	293.08	2.94	-44.62
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NCC1=NC(=O)O[N-]1	REAL250005022441	0	32	-1.0	-39.00	277.75	0.25	-38.75
CCSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022442	0	30	-1.0	-35.99	280.32	1.34	-34.65
CN(C)C(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022443	0	34	-1.0	-39.35	291.82	0.91	-38.44
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2=CC=CC=C21	REAL250005022444	0	32	-1.0	-38.13	274.11	1.62	-36.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CC2)N=C1	REAL250005022445	0	34	-1.0	-36.17	301.77	0.29	-35.88
CCC1=CC=C(C(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022446	0	36	-1.0	-36.72	304.58	3.71	-33.01
CCCCCS(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022447	0	35	-1.0	-48.66	313.22	-1.00	-49.66
CCSC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005022448	0	33	-1.0	-36.70	281.88	2.19	-34.51
CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022449	0	37	-1.0	-36.33	309.68	-1.24	-37.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=N1	REAL250005022450	0	23	-1.0	-37.19	239.66	-0.07	-37.26
CC1CC(CC(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL250005022451	0	42	-1.0	-35.39	317.72	3.41	-31.98
CCCCCCC(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022452	0	41	-1.0	-35.35	328.18	3.86	-31.49
CCCN(CCC)C(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022453	0	42	-1.0	-39.06	347.89	2.46	-36.60
COC1=CC=CC=C1NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022454	0	33	-1.0	-37.99	287.03	-0.56	-38.55
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL250005022455	0	31	-1.0	-37.84	290.78	3.47	-34.37
COC1=CC=CC=C1C(C)=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022456	0	35	-1.0	-38.82	304.70	2.39	-36.43
CC(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)C1CCCC1	REAL250005022457	0	40	-1.0	-42.01	329.22	0.91	-41.10
CC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022458	0	27	-1.0	-39.44	247.08	1.80	-37.64
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CC(C)C)=N1	REAL250005022459	0	35	-1.0	-35.92	308.39	1.73	-34.19
O=C(CCN1CCCC1=O)NCC1=NC(=O)O[N-]1	REAL250005022460	0	31	-1.0	-42.67	271.80	-0.20	-42.87
CC1=CC=C(C)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022461	0	33	-1.0	-37.34	283.94	2.88	-34.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)N=C1	REAL250005022462	0	35	-1.0	-37.59	294.87	0.96	-36.63
O=C(CSCC1CCCCO1)NCC1=NC(=O)O[N-]1	REAL250005022463	0	35	-1.0	-38.92	304.97	1.23	-37.69
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)F	REAL250005022464	0	27	-1.0	-39.00	248.59	-0.53	-39.53
CC(C)CCC(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022465	0	36	-1.0	-37.51	305.27	-0.71	-38.22
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CCNC(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022469	0	33	-1.0	-45.14	288.33	-1.31	-46.45
CCCNC(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022470	0	33	-1.0	-39.25	288.33	-1.33	-40.58
CCCNC(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022471	0	36	-1.0	-45.02	309.83	-0.55	-45.57
CC(C)NC(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022472	0	36	-1.0	-45.16	308.96	-0.51	-45.67
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COC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022474	0	32	-1.0	-44.75	288.32	-0.72	-45.47
COC1=CC=CC=C1C(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022475	0	37	-1.0	-38.43	308.49	2.35	-36.08
CC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022476	0	36	-1.0	-36.97	297.79	3.32	-33.65
CNC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL250005022477	0	28	-1.0	-36.12	268.19	-0.64	-36.76
CC(C)OC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022478	0	34	-1.0	-41.39	288.23	3.13	-38.26
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CCCC(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022480	0	40	-1.0	-46.98	319.45	2.84	-44.14
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CNC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005022482	0	31	-1.0	-39.62	270.18	-2.04	-41.66
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COC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005022485	0	25	-1.0	-42.17	241.38	0.35	-41.82
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CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL250005022489	0	37	-1.0	-42.06	310.87	0.75	-41.31
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CNC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022491	0	30	-1.0	-36.94	274.97	-2.40	-39.34
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CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005022494	0	33	-1.0	-36.20	283.17	2.72	-33.48
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CC(C)C(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022496	0	39	-1.0	-35.72	309.71	3.80	-31.92
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CN(C)C(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022498	0	34	-1.0	-44.72	293.28	0.90	-43.82
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COC(=O)NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022503	0	32	-1.0	-37.86	282.49	-0.28	-38.14
CC(C)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005022505	0	30	-1.0	-35.80	265.49	-0.36	-36.16
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CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1CC1	REAL250005022507	0	31	-1.0	-43.58	274.34	0.32	-43.26
COCC(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022508	0	31	-1.0	-46.51	279.56	-2.76	-49.27
COC1=CC=CC(SCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022509	0	32	-1.0	-38.76	293.76	1.49	-37.27
CCN(CC)S(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022510	0	34	-1.0	-44.11	302.55	-2.23	-46.34
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CCCCCCN(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022513	1	40	-1.0	-35.75	323.20	0.96	-34.79
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CCCC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005022518	0	32	-1.0	-36.23	297.75	0.43	-35.80
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COC1=NC=NC(OC)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022521	0	30	-1.0	-41.28	278.70	-4.03	-45.31
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CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC1CC1	REAL250005022523	0	38	-1.0	-40.85	319.51	4.05	-36.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC=N2)C=C1	REAL250005022524	0	29	-1.0	-40.60	271.34	-0.36	-40.96
CCC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022525	0	36	-1.0	-35.79	300.29	3.62	-32.17
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC=CC=C21	REAL250005022526	0	31	-1.0	-36.72	266.66	2.83	-33.89
O=C(CN1N=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005022527	0	30	-1.0	-42.12	274.44	1.33	-40.79
CC1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022528	0	33	-1.0	-36.19	282.49	3.00	-33.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CS2)N1	REAL250005022530	0	25	-1.0	-36.51	244.99	0.03	-36.48
COC(=O)NC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022531	0	31	-1.0	-35.08	267.09	-2.73	-37.81
O=C(CCCC1=CC=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005022532	0	32	-1.0	-40.81	282.83	1.54	-39.27
O=C(NCC1=NC(=O)O[N-]1)C1(C(=O)NC2CC2)CCC1	REAL250005022533	0	35	-1.0	-40.32	300.69	-0.18	-40.50
O=C(NCC1=NC(=O)O[N-]1)C1=C(OC(F)F)C=CS1	REAL250005022534	0	25	-1.0	-40.45	251.15	0.62	-39.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC=CC2=C1	REAL250005022535	0	28	-1.0	-40.61	252.43	1.09	-39.52
O=C(CC1=CC=CC(OC(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL250005022536	0	31	-1.0	-40.24	285.01	1.31	-38.93
COC(=O)NCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022537	0	31	-1.0	-40.01	278.87	-2.73	-42.74
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCN(C)CC1	REAL250005022538	0	37	-1.0	-36.32	289.37	-3.33	-39.65
COC(=O)N(C)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022539	0	34	-1.0	-43.13	298.51	-0.14	-43.27
COC1=CC=C(NC(=O)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022540	0	32	-1.0	-38.75	288.08	-1.41	-40.16
O=C(CN1N=CC2=C1N=CNC2=O)NCC1=NC(=O)O[N-]1	REAL250005022541	0	29	-1.0	-48.39	274.23	-0.98	-49.37
CN1C=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005022542	0	27	-1.0	-55.23	243.52	0.13	-55.10
CC1=CC=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=N1	REAL250005022543	0	29	-1.0	-39.87	268.81	0.25	-39.62
CSC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005022544	0	25	-1.0	-39.90	250.45	1.06	-38.84
CC1=NNC(C)=C1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022545	0	33	-1.0	-39.44	276.09	-0.38	-39.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=C2)C=C1	REAL250005022546	0	35	-1.0	-39.70	309.71	4.61	-35.09
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CO2)S1	REAL250005022547	0	27	-1.0	-38.64	271.32	0.06	-38.58
N#CCN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL250005022548	0	32	-1.0	-40.98	293.56	3.20	-37.78
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL250005022549	0	33	-1.0	-38.29	284.15	2.94	-35.35
CC1=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL250005022550	0	34	-1.0	-40.73	291.89	2.16	-38.57
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CC2)S1	REAL250005022551	0	27	-1.0	-37.37	260.68	0.60	-36.77
CN1N=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005022552	0	29	-1.0	-39.58	265.04	-0.49	-40.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCC(=O)N2	REAL250005022553	0	30	-1.0	-41.48	269.79	-0.46	-41.94
CC(=O)C1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022554	0	26	-1.0	-41.95	255.02	0.46	-41.49
COC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022555	0	34	-1.0	-37.64	281.96	1.18	-36.46
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005022556	0	27	-1.0	-34.92	247.80	1.75	-33.17
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=NN1C	REAL250005022557	0	31	-1.0	-39.52	282.96	-1.86	-41.38
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O=CC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022559	0	30	-1.0	-40.33	277.92	1.34	-38.99
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005022560	0	28	-1.0	-37.05	263.04	0.86	-36.19
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=CC=C21	REAL250005022561	0	29	-1.0	-38.87	258.91	0.81	-38.06
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=CC=CC=C12	REAL250005022562	0	27	-1.0	-39.32	249.82	1.38	-37.94
COC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005022563	0	34	-1.0	-36.18	291.27	-1.53	-37.71
CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005022564	0	34	-1.0	-36.84	292.43	2.02	-34.82
O=C(C=CC1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005022565	0	32	-1.0	-36.92	273.78	0.24	-36.68
O=C(CN1N=CN2N=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL250005022566	0	29	-1.0	-45.28	274.05	-0.08	-45.36
O=C(CC1CCC2=CC=CC=C2C1)NCC1=NC(=O)O[N-]1	REAL250005022567	0	37	-1.0	-37.83	303.90	4.13	-33.70
CC(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=CC=C1	REAL250005022568	0	35	-1.0	-38.33	302.84	2.86	-35.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2CC2)=N1	REAL250005022569	0	29	-1.0	-39.15	265.74	0.78	-38.37
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)OC=N1	REAL250005022570	0	30	-1.0	-42.20	277.05	-0.56	-42.76
CC(C)COC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022571	0	37	-1.0	-41.23	311.91	3.99	-37.24
CCOC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005022572	0	30	-1.0	-34.57	286.14	-0.75	-35.32
CS(=O)(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022573	0	29	-1.0	-48.99	270.87	-2.93	-51.92
CCCC(CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022574	0	45	-1.0	-35.86	342.86	4.72	-31.14
O=C(CC1CCCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005022575	0	37	-1.0	-36.35	300.02	3.95	-32.40
CSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005022576	0	25	-1.0	-36.43	248.60	0.24	-36.19
CCC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022577	0	39	-1.0	-35.97	307.86	4.43	-31.54
CC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022578	0	33	-1.0	-35.86	282.51	3.01	-32.85
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL250005022579	0	30	-1.0	-47.71	268.29	-0.46	-48.17
CN1C(=O)C(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005022580	0	28	-1.0	-40.55	270.49	-1.97	-42.52
COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022581	0	26	-1.0	-35.83	243.15	-4.25	-40.08
O=C(CCCN1C=CC=CC1=O)NCC1=NC(=O)O[N-]1	REAL250005022582	0	33	-1.0	-47.96	292.45	1.61	-46.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC=N2)=C1	REAL250005022583	0	31	-1.0	-43.77	279.45	2.24	-41.53
O=C(CC1=CC=C(Cl)N=C1)NCC1=NC(=O)O[N-]1	REAL250005022585	0	26	-1.0	-38.55	257.46	0.37	-38.18
COCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022586	0	35	-1.0	-38.60	306.01	0.56	-38.04
CCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC1=O	REAL250005022587	0	29	-1.0	-36.96	265.43	-0.94	-37.90
CCCCCC(O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022588	0	36	-1.0	-38.38	302.40	0.23	-38.15
CC1CCCCC1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022589	0	37	-1.0	-38.05	299.93	2.47	-35.58
CC(CSC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022590	0	34	-1.0	-36.08	303.35	3.57	-32.51
O=C(CC1=CC=CC=C1OC(F)F)NCC1=NC(=O)O[N-]1	REAL250005022591	0	31	-1.0	-40.19	283.82	1.37	-38.82
CCC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022592	0	36	-1.0	-35.98	303.41	3.55	-32.43
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=COC=C2)=N1	REAL250005022593	0	27	-1.0	-41.10	271.51	-0.13	-41.23
CCCC(CC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022594	0	42	-1.0	-35.67	324.57	3.87	-31.80
CC1=CC=CC=C1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005022595	0	34	-1.0	-39.35	297.72	3.15	-36.20
COC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005022596	0	34	-1.0	-35.95	287.02	-1.91	-37.86
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL250005022597	0	30	-1.0	-37.06	266.71	2.29	-34.77
CC(C)C1=NC=CN1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022598	0	36	-1.0	-37.48	309.39	2.14	-35.34
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=CN1	REAL250005022599	0	27	-1.0	-57.59	245.43	-0.41	-58.00
COC1=CC=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022600	0	28	-1.0	-43.88	260.34	0.30	-43.58
O=CNC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022601	0	28	-1.0	-43.65	255.61	-0.76	-44.41
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL250005022602	0	33	-1.0	-37.25	293.51	3.17	-34.08
O=C(CC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL250005022603	0	29	-1.0	-41.08	273.97	2.40	-38.68
CC1=NNC(C)=C1CC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022604	0	36	-1.0	-37.88	297.21	0.31	-37.57
CC(C)(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005022605	0	32	-1.0	-38.60	282.93	1.05	-37.55
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005022606	0	31	-1.0	-36.54	266.59	1.04	-35.50
CCN1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005022607	0	33	-1.0	-37.02	274.00	-1.71	-38.73
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C(F)C=C1F	REAL250005022608	0	24	-1.0	-37.13	243.81	1.07	-36.06
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022609	0	29	-1.0	-43.03	266.85	3.40	-39.63
O=C(NCC1=NC(=O)O[N-]1)C(=O)NCC1=CC=C(F)C=C1	REAL250005022610	0	31	-1.0	-37.53	290.82	-0.50	-38.03
CCC(C(=O)NCC1=NC(=O)O[N-]1)N1CCCC1=O	REAL250005022611	0	34	-1.0	-45.28	284.89	1.74	-43.54
CC(C)C(CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022612	0	45	-1.0	-36.26	338.78	4.22	-32.04
CCN1N=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005022613	0	30	-1.0	-37.78	287.40	0.54	-37.24
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)N=CO1	REAL250005022614	0	29	-1.0	-40.31	259.62	-2.13	-42.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)N1	REAL250005022615	0	32	-1.0	-37.65	286.21	2.39	-35.26
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=C(F)C=CC=C1F	REAL250005022616	0	31	-1.0	-37.96	278.05	3.04	-34.92
CN(C)C(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022617	0	33	-1.0	-45.58	284.62	-0.20	-45.78
CC1=NN(CCCl)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022618	0	33	-1.0	-38.57	307.53	1.24	-37.33
CC1=CC=C(N2C=CN=C2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022619	0	34	-1.0	-41.19	297.03	4.00	-37.19
CC1=NN(C)C=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022620	0	33	-1.0	-39.81	290.11	0.85	-38.96
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CCCO2)OC=N1	REAL250005022621	0	31	-1.0	-41.49	274.64	-3.23	-44.72
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL250005022622	0	33	-1.0	-36.58	286.99	3.03	-33.55
CCC(CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022623	0	42	-1.0	-35.83	321.37	3.95	-31.88
CC1=NC(CCC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005022624	0	29	-1.0	-37.79	273.40	0.26	-37.53
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C	REAL250005022625	0	34	-1.0	-36.50	294.84	3.61	-32.89
O=C(COC1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005022626	0	32	-1.0	-39.00	273.41	-0.67	-39.67
CCCCC(CC)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022627	0	38	-1.0	-35.42	299.27	2.83	-32.59
O=C(CC1CCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005022628	0	34	-1.0	-37.90	283.41	3.49	-34.41
CC1CCCC(OCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005022629	0	37	-1.0	-38.26	300.97	2.43	-35.83
CC1=CC=CC=C1C(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022630	0	36	-1.0	-35.90	298.02	3.49	-32.41
CC(NS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022631	0	28	-1.0	-40.76	260.02	-5.11	-45.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCC1	REAL250005022632	0	35	-1.0	-41.72	296.88	3.88	-37.84
O=C(NCC1=NC(=O)O[N-]1)C1CSC2=CC=CC=C21	REAL250005022633	0	29	-1.0	-38.30	268.00	2.57	-35.73
O=C(NCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)CC1	REAL250005022634	0	30	-1.0	-43.34	265.09	-2.63	-45.97
CC(C)N1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022635	0	30	-1.0	-42.34	266.75	0.19	-42.15
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005022636	0	27	-1.0	-46.44	268.64	-3.35	-49.79
CC(CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022637	0	39	-1.0	-35.94	303.38	3.30	-32.64
CC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1C	REAL250005022638	0	34	-1.0	-36.96	293.20	2.19	-34.77
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC(F)=C1	REAL250005022639	0	31	-1.0	-35.61	282.07	1.69	-33.92
CC1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022640	0	36	-1.0	-35.63	279.39	2.39	-33.24
CC1=NOC(COCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022641	0	29	-1.0	-43.56	271.80	-2.29	-45.85
CC(CC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022642	0	36	-1.0	-35.45	287.26	2.64	-32.81
CCC(CC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022643	0	39	-1.0	-35.58	303.08	3.12	-32.46
O=C(CCC1CCCCO1)NCC1=NC(=O)O[N-]1	REAL250005022644	0	34	-1.0	-36.63	281.75	0.66	-35.97
CCC(OC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022645	0	37	-1.0	-36.30	306.29	2.66	-33.64
CC(OC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022646	0	37	-1.0	-37.38	302.47	2.45	-34.93
CCC1=NC(C)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022647	0	31	-1.0	-35.22	268.18	0.37	-34.85
N#CCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022648	0	32	-1.0	-42.17	296.46	1.74	-40.43
CCCCCCC(CC)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022649	0	41	-1.0	-35.66	325.24	3.66	-32.00
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)S(C)(=O)=O	REAL250005022650	0	29	-1.0	-49.24	258.50	-3.11	-52.35
CC(C)C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022651	0	29	-1.0	-36.45	262.30	0.35	-36.10
COC1=CC=C(C(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022652	0	34	-1.0	-37.61	291.17	1.57	-36.04
CC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(C)C)=N1	REAL250005022653	0	34	-1.0	-35.27	288.48	1.15	-34.12
O=C(CC1(O)CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005022654	0	34	-1.0	-38.22	272.61	-0.01	-38.23
CCC(SC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022655	0	34	-1.0	-36.73	302.21	3.36	-33.37
CN(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005022656	0	31	-1.0	-37.39	271.01	0.79	-36.60
CC(OC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022657	0	34	-1.0	-37.36	281.58	1.69	-35.67
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C)=C1	REAL250005022658	0	28	-1.0	-42.38	263.18	1.15	-41.23
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CCCCC2)N=C1	REAL250005022659	0	37	-1.0	-38.11	307.96	2.05	-36.06
CNC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022660	0	31	-1.0	-45.33	277.56	-0.66	-45.99
CC1=CC=CC(Cl)=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022661	0	31	-1.0	-39.56	294.71	3.00	-36.56
CC1=C(C)N(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)S1	REAL250005022662	0	33	-1.0	-41.40	297.87	0.91	-40.49
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CC1	REAL250005022663	0	31	-1.0	-36.40	278.29	2.84	-33.56
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC	REAL250005022664	0	32	-1.0	-43.19	277.18	-0.68	-43.87
O=C(CCC1=CC(Cl)=CS1)NCC1=NC(=O)O[N-]1	REAL250005022665	0	27	-1.0	-35.28	274.26	2.14	-33.14
O=C(CC1=CNC2=CC=C(F)C=C12)NCC1=NC(=O)O[N-]1	REAL250005022666	0	31	-1.0	-42.09	284.16	1.85	-40.24
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL250005022667	0	30	-1.0	-35.99	268.08	2.34	-33.65
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(Br)=C1	REAL250005022668	0	22	-1.0	-37.32	230.07	-0.59	-37.91
CC(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022669	0	29	-1.0	-47.84	262.27	2.80	-45.04
COC1=CC=CC(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022670	0	28	-1.0	-42.67	269.83	0.68	-41.99
CC(O)(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022671	0	34	-1.0	-36.51	292.05	-0.19	-36.70
CC(C)C1=NN(C)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022672	0	33	-1.0	-37.97	307.31	0.96	-37.01
O=C(CC1OCCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005022673	0	35	-1.0	-39.02	294.27	2.64	-36.38
CC(C)(NS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022674	0	31	-1.0	-38.57	267.34	-3.62	-42.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC=N2)=N1	REAL250005022675	0	30	-1.0	-41.06	279.04	1.61	-39.45
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL250005022676	0	27	-1.0	-36.56	253.64	1.46	-35.10
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2F)CC1	REAL250005022677	0	31	-1.0	-39.53	280.45	2.89	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=N2)=CC=N1	REAL250005022678	0	30	-1.0	-45.64	277.18	0.54	-45.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=N1	REAL250005022679	0	23	-1.0	-37.39	235.09	-0.17	-37.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CO2)S1	REAL250005022680	0	24	-1.0	-38.70	240.74	0.37	-38.33
CC(C(=O)NCC1=NC(=O)O[N-]1)N(C)CC1=CC=CC=C1	REAL250005022681	0	38	-1.0	-37.54	311.40	1.13	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1	REAL250005022682	0	26	-1.0	-34.12	266.05	2.23	-31.89
CC(CC1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022683	0	33	-1.0	-37.94	289.24	3.06	-34.88
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005022684	0	30	-1.0	-52.93	260.59	-0.48	-53.41
CC1=C(Cl)C=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022685	0	31	-1.0	-38.21	288.79	2.76	-35.45
CC1=CC=CC(C(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022686	0	33	-1.0	-36.88	283.09	2.94	-33.94
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL250005022687	0	33	-1.0	-38.07	283.18	2.72	-35.35
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022688	0	39	-1.0	-36.30	319.92	4.22	-32.08
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC=C1	REAL250005022689	0	27	-1.0	-36.09	252.75	1.29	-34.80
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CC=C2)=N1	REAL250005022690	0	30	-1.0	-41.21	281.32	-0.50	-41.71
CSC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022691	0	31	-1.0	-37.69	285.51	2.72	-34.97
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN2C=CN=C12	REAL250005022693	0	26	-1.0	-48.31	244.95	0.05	-48.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1C=CC=N1	REAL250005022694	0	34	-1.0	-37.85	294.85	2.61	-35.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CC=N2)=C1	REAL250005022695	0	30	-1.0	-40.33	277.02	1.57	-38.76
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CC(C1=CC=CC=C1)C(C)(O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022810	0	37	-1.0	-36.02	301.57	0.62	-35.40
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O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1Cl	REAL250005022812	0	24	-1.0	-40.02	256.39	1.76	-38.26
O=C(CC1=COC2=CC(F)=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005022813	0	30	-1.0	-38.85	280.00	2.15	-36.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)N=C1	REAL250005022814	0	23	-1.0	-35.76	237.57	-0.21	-35.97
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C(F)=CC(F)=C1F	REAL250005022815	0	24	-1.0	-37.13	249.98	1.11	-36.02
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)S1	REAL250005022816	0	27	-1.0	-36.06	270.69	2.08	-33.98
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CN(C)N=C1	REAL250005022817	0	30	-1.0	-40.89	266.49	0.07	-40.82
CC1=NC(CCCC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005022818	0	32	-1.0	-40.39	294.90	1.03	-39.36
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=NN1	REAL250005022819	0	27	-1.0	-40.02	267.58	-1.04	-41.06
CC1=NNC(C(F)(F)F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022819	1	27	-1.0	-36.44	267.52	-1.05	-37.49
O=C(CC=CC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005022820	0	31	-1.0	-37.44	283.20	3.11	-34.33
CCC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022821	0	39	-1.0	-36.75	319.28	4.08	-32.67
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=NN(C)C2=N1	REAL250005022822	0	32	-1.0	-37.06	284.71	0.72	-36.34
O=C(NCC1=NC(=O)O[N-]1)C1=CN2N=NN=C2C=C1	REAL250005022823	0	25	-1.0	-36.59	237.56	-0.82	-37.41
CCC(OC1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022824	0	34	-1.0	-41.08	292.61	2.90	-38.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=C2)N=C1	REAL250005022825	0	31	-1.0	-38.43	279.19	3.11	-35.32
CC1=CC(CCCC(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL250005022826	0	36	-1.0	-37.60	318.36	3.71	-33.89
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250005022827	0	36	-1.0	-38.15	307.56	4.51	-33.64
CCCCCC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022828	0	38	-1.0	-35.69	302.89	2.81	-32.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Cl)=C2O1	REAL250005022829	0	27	-1.0	-41.03	269.10	1.95	-39.08
O=C(CCC1CCCOC1)NCC1=NC(=O)O[N-]1	REAL250005022830	0	34	-1.0	-36.53	278.99	0.32	-36.21
CCC(C)OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022831	0	37	-1.0	-37.12	311.06	2.71	-34.41
CN1N=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL250005022832	0	29	-1.0	-38.81	265.60	0.19	-38.62
O=C(NCC1=NC(=O)O[N-]1)C1CSCCS1	REAL250005022833	0	26	-1.0	-36.27	249.51	0.78	-35.49
COC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005022834	0	29	-1.0	-38.17	272.06	-0.10	-38.27
O=C(CCOC1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005022835	0	35	-1.0	-36.38	294.36	-0.94	-37.32
CC1=CC(O)=CC(=O)N1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022836	0	34	-1.0	-45.37	297.26	-1.62	-46.99
CC1=CC(O)=CC(=O)N1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022837	0	31	-1.0	-46.65	277.16	-2.09	-48.74
CC1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005022838	0	29	-1.0	-40.95	274.42	3.65	-37.30
COC1=CC=CC(C(C)CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022839	0	37	-1.0	-37.78	310.08	2.25	-35.53
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NC2=CC=CC=C21	REAL250005022840	0	32	-1.0	-39.81	274.90	2.00	-37.81
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(F)C=C1F	REAL250005022841	0	27	-1.0	-35.63	252.35	1.83	-33.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(F)=C1F	REAL250005022842	0	24	-1.0	-36.39	238.24	1.25	-35.14
CC1=NOC(C(F)F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022843	0	26	-1.0	-38.30	257.66	0.15	-38.15
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C=CO1	REAL250005022844	0	21	-1.0	-37.96	224.00	-0.34	-38.30
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2O1	REAL250005022845	0	33	-1.0	-41.35	292.66	3.33	-38.02
CNS(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022846	0	25	-1.0	-45.17	242.16	-5.83	-51.00
CN1C(=O)NC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005022847	0	27	-1.0	-47.70	247.69	-2.26	-49.96
N#CC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022848	0	22	-1.0	-36.65	234.18	0.43	-36.22
CC(C)C1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022849	0	33	-1.0	-35.52	283.64	0.64	-34.88
CC(C)C1=NN=C(CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005022850	0	34	-1.0	-39.45	301.56	-3.18	-42.63
CC(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL250005022851	0	33	-1.0	-42.14	286.18	0.55	-41.59
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CC1	REAL250005022852	0	34	-1.0	-39.26	298.56	3.70	-35.56
O=C(NCC1=NC(=O)O[N-]1)C1=NC=NC=C1Cl	REAL250005022853	0	22	-1.0	-36.98	226.12	-0.34	-37.32
CC(CS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022854	0	29	-1.0	-43.15	263.24	-2.91	-46.06
COC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022855	0	25	-1.0	-36.64	243.76	-0.62	-37.26
CC(=O)N1CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005022856	0	34	-1.0	-42.94	284.54	-0.22	-43.16
CSCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005022857	0	31	-1.0	-36.29	292.53	2.96	-33.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL250005022858	0	26	-1.0	-43.24	264.33	3.41	-39.83
COC1=CC=C(C(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022859	0	37	-1.0	-37.03	310.07	2.26	-34.77
N#CCSC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022860	0	29	-1.0	-43.05	282.12	2.66	-40.39
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005022861	0	32	-1.0	-37.78	283.57	2.87	-34.91
CC(C)(C)OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022862	0	37	-1.0	-36.57	301.40	2.19	-34.38
CC(C)CCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022863	0	38	-1.0	-35.55	310.79	3.14	-32.41
CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005022864	0	30	-1.0	-37.36	269.81	1.47	-35.89
CC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005022865	0	33	-1.0	-37.72	300.76	3.21	-34.51
CC1=NC2=CC=CC=C2N1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022866	0	33	-1.0	-42.69	292.86	2.54	-40.15
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL250005022867	0	31	-1.0	-35.95	292.38	3.57	-32.38
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022868	0	27	-1.0	-39.47	250.53	-2.09	-41.56
CC(SC1=CC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022869	0	30	-1.0	-38.35	279.30	1.55	-36.80
O=C(C=CSCC1=CC=CO1)NCC1=NC(=O)O[N-]1	REAL250005022870	0	29	-1.0	-38.72	283.48	1.67	-37.05
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005022871	0	31	-1.0	-38.80	289.48	1.46	-37.34
O=CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005022872	0	23	-1.0	-41.21	235.41	-0.20	-41.41
COCCC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005022873	0	34	-1.0	-37.01	283.54	0.08	-36.93
CCC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022874	0	32	-1.0	-38.17	284.16	2.33	-35.84
O=C(COCC=CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005022875	0	35	-1.0	-40.01	311.36	3.39	-36.62
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005022876	0	28	-1.0	-35.84	256.81	0.41	-35.43
CCC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022877	0	36	-1.0	-36.65	299.73	3.62	-33.03
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL250005022878	0	32	-1.0	-40.60	295.37	3.21	-37.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1F	REAL250005022879	0	24	-1.0	-38.51	241.86	1.61	-36.90
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005022880	0	33	-1.0	-36.95	293.72	2.67	-34.28
N#CC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005022881	0	25	-1.0	-38.59	258.22	1.37	-37.22
O=C(CC1=CC=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL250005022882	0	27	-1.0	-37.72	257.61	1.82	-35.90
O=C(CC1=CC=C(F)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005022883	0	27	-1.0	-38.14	258.46	1.85	-36.29
O=C(CC1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005022884	0	27	-1.0	-39.32	256.37	1.78	-37.54
O=C(NCC1=NC(=O)O[N-]1)C1CC1CC1=CC=CC=C1	REAL250005022885	0	34	-1.0	-36.55	293.46	3.98	-32.57
O=C(CC1=CC=CC(F)=C1F)NCC1=NC(=O)O[N-]1	REAL250005022886	0	27	-1.0	-40.60	257.50	1.82	-38.78
CC(C)CC(C)OCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022887	0	39	-1.0	-35.46	321.01	1.65	-33.81
CCN(CC)C(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022888	0	36	-1.0	-39.39	304.89	0.94	-38.45
CC1=CC(Cl)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022889	0	27	-1.0	-36.49	259.26	2.22	-34.27
O=C(CCSC1=CC=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005022890	0	30	-1.0	-39.84	284.03	1.41	-38.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC=C1Br	REAL250005022891	0	23	-1.0	-35.14	232.79	-0.09	-35.23
CSC1=NC(=O)NC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022892	0	30	-1.0	-41.45	286.77	-2.50	-43.95
CN(C)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005022893	1	32	-1.0	-37.62	287.21	-0.13	-37.75
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(CC(F)(C3)C1)C2	REAL250005022894	0	38	-1.0	-36.10	292.06	3.02	-33.08
CC1=CC=CC(C)=C1NC(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022895	0	34	-1.0	-38.31	295.84	0.97	-37.34
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2CCCC2)C=C1	REAL250005022896	0	34	-1.0	-41.62	289.51	1.47	-40.15
CC1=NC(CC(C)C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005022897	0	35	-1.0	-36.63	308.25	1.68	-34.95
CC(C)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005022898	0	39	-1.0	-36.32	297.81	3.19	-33.13
CCC1=NOC(CC)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022899	0	35	-1.0	-38.76	304.73	2.01	-36.75
CC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL250005022900	0	29	-1.0	-39.62	271.22	0.09	-39.53
O=C(CCC1=CC=C2OCCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005022901	0	35	-1.0	-38.01	303.04	2.39	-35.62
CCCCCC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005022902	0	41	-1.0	-35.70	320.20	3.79	-31.91
COC1=C(F)C=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022903	0	28	-1.0	-40.58	270.06	0.47	-40.11
CC(O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005022904	0	30	-1.0	-45.01	273.16	-4.12	-49.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1C1CCCC1	REAL250005022905	0	34	-1.0	-35.88	286.09	1.69	-34.19
CC(C)N1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022906	0	30	-1.0	-35.83	263.14	0.34	-35.49
COC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022907	0	37	-1.0	-37.66	306.25	1.95	-35.71
CCOCCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005022908	0	40	-1.0	-37.69	320.07	1.82	-35.87
COC(=O)C1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1	REAL250005022909	0	34	-1.0	-40.86	305.72	0.47	-40.39
CC1CCN(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022910	1	35	-1.0	-36.35	282.44	-0.21	-36.56
O=C(C#CC1=CC=C2OCOC2=C1)NCC1=NC(=O)O[N-]1	REAL250005022911	0	29	-1.0	-38.35	278.99	1.06	-37.29
O=C(C=CC1=CC=CC(CO)=C1)NCC1=NC(=O)O[N-]1	REAL250005022912	0	32	-1.0	-39.55	288.47	-0.44	-39.99
CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022913	0	39	-1.0	-48.17	321.24	0.98	-47.19
CC1(C)CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022914	0	36	-1.0	-35.16	280.89	2.19	-32.97
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)S(=O)(=O)CCO1	REAL250005022915	0	29	-1.0	-54.29	261.27	-3.43	-57.72
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL250005022916	0	33	-1.0	-37.89	290.50	2.69	-35.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1[N+](=O)[O-]	REAL250005022917	0	26	-1.0	-39.29	251.83	2.80	-36.49
COC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005022918	0	28	-1.0	-43.72	266.68	0.30	-43.42
CCC(CC)N1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022919	0	36	-1.0	-35.86	301.81	1.86	-34.00
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CCC1	REAL250005022920	0	37	-1.0	-39.10	306.48	4.02	-35.08
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=NNC=C21	REAL250005022921	0	31	-1.0	-36.80	260.40	-0.01	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=C1C=NN2	REAL250005022921	1	31	-1.0	-41.51	260.42	-0.03	-41.54
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005022922	0	27	-1.0	-37.50	262.31	-0.13	-37.63
CC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005022923	0	27	-1.0	-37.96	252.35	1.83	-36.13
CCOCCC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005022924	0	37	-1.0	-37.05	305.40	1.05	-36.00
CCCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022925	0	37	-1.0	-38.91	318.61	2.75	-36.16
CCC(CC)N1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022926	0	36	-1.0	-42.32	303.87	1.53	-40.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=NC=CN21	REAL250005022927	0	27	-1.0	-38.51	244.33	1.44	-37.07
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC=N1	REAL250005022928	0	26	-1.0	-40.42	249.15	0.72	-39.70
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005022929	0	30	-1.0	-39.71	280.41	1.74	-37.97
CC(C)OC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005022930	0	33	-1.0	-36.29	290.50	-0.36	-36.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC(O)=CC([N+](=O)[O-])=C1	REAL250005022931	1	27	-1.0	-37.08	260.33	-1.15	-38.23
N#CC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005022932	0	24	-1.0	-37.68	251.71	0.24	-37.44
CC1=CC=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022933	0	27	-1.0	-40.58	250.64	1.49	-39.09
CNC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022934	0	30	-1.0	-38.57	277.22	-2.36	-40.93
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005022935	0	30	-1.0	-37.82	281.39	2.83	-34.99
CCCN1N=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005022936	0	36	-1.0	-39.71	311.87	1.40	-38.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(Br)=C1	REAL250005022937	0	23	-1.0	-34.57	237.78	-0.21	-34.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250005022938	0	24	-1.0	-35.16	243.69	1.62	-33.54
CC1=CC(=O)NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022939	0	27	-1.0	-37.64	241.75	-1.33	-38.97
CCCC(O)(CCC)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022940	0	39	-1.0	-38.05	307.06	0.69	-37.36
O=C(CSC1=CC=C(O)C=C1)NCC1=NC(=O)O[N-]1	REAL250005022941	0	29	-1.0	-38.06	275.28	-0.67	-38.73
CC(C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005022942	0	32	-1.0	-41.41	278.47	1.16	-40.25
O=C(CC1=CC=C(F)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005022943	0	27	-1.0	-36.85	266.39	2.23	-34.62
CCC1=NNC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1CC	REAL250005022944	0	35	-1.0	-46.24	292.08	-0.37	-46.61
O=C(CC1=CC(F)=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL250005022945	0	27	-1.0	-37.01	263.87	1.89	-35.12
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL250005022946	0	27	-1.0	-34.93	256.54	2.14	-32.79
COC1=CC=CC(OC)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022947	0	32	-1.0	-45.36	283.25	-0.40	-45.76
COC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005022948	0	35	-1.0	-39.31	304.22	1.65	-37.66
O=C(CC1CCSCC1)NCC1=NC(=O)O[N-]1	REAL250005022949	0	31	-1.0	-35.83	265.46	1.68	-34.15
CCC(OC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022950	0	40	-1.0	-36.28	321.88	3.29	-32.99
CCOC(CC(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005022951	0	36	-1.0	-36.76	292.78	1.55	-35.21
O=C(CN1C=C(C2CC2)N=N1)NCC1=NC(=O)O[N-]1	REAL250005022952	0	30	-1.0	-45.41	271.70	-0.06	-45.47
COCCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005022953	0	37	-1.0	-37.54	298.21	0.85	-36.69
CCS(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022954	0	28	-1.0	-43.46	263.70	-4.88	-48.34
CC(C)C1=NN=C(C=CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005022955	0	32	-1.0	-39.05	293.10	-3.28	-42.33
CCC[C@@H](NC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022956	0	32	-1.0	-44.47	272.88	-2.97	-47.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SC=CC2=C1	REAL250005022957	0	27	-1.0	-36.69	257.98	2.40	-34.29
CC(OC1CCCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005022958	0	40	-1.0	-37.09	314.10	2.94	-34.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2)S1	REAL250005022959	0	28	-1.0	-37.17	264.93	2.36	-34.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Cl)=C1	REAL250005022960	0	24	-1.0	-33.89	244.27	1.63	-32.26
CC(C)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005022961	0	36	-1.0	-36.33	280.03	2.41	-33.92
O=C(CC1=CN=C2NC=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005022962	0	30	-1.0	-50.66	272.07	1.03	-49.63
COC1=CC=CC(OC)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022963	0	35	-1.0	-41.53	302.06	0.46	-41.07
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL250005022964	0	34	-1.0	-45.78	303.79	2.90	-42.88
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022965	0	38	-1.0	-42.15	319.37	-0.50	-42.65
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005022966	0	27	-1.0	-40.01	245.98	1.75	-38.26
CC(C)(C)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022967	0	39	-1.0	-37.20	321.95	4.05	-33.15
CC(C)OC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022968	0	33	-1.0	-36.20	285.64	0.13	-36.07
CC1=NN(C)C(C)=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022969	0	34	-1.0	-41.39	303.50	0.59	-40.80
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CN=C2)N=C1	REAL250005022970	0	30	-1.0	-39.57	277.10	0.43	-39.14
CCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1CC1	REAL250005022971	0	37	-1.0	-39.08	313.41	2.34	-36.74
O=C(NCC1=NC(=O)O[N-]1)C(O)CCC1=CC=CC=C1	REAL250005022972	0	34	-1.0	-36.84	298.43	1.25	-35.59
O=C(NCC1=NC(=O)O[N-]1)[C@H](O)C1=CC=CC=C1Cl	REAL250005022973	0	28	-1.0	-38.64	260.67	0.39	-38.25
COC1=CC=CC(C(O)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022974	0	32	-1.0	-39.02	282.87	-0.90	-39.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL250005022975	0	26	-1.0	-35.57	261.73	2.09	-33.48
COC(=O)CC(C)(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022977	0	35	-1.0	-39.87	285.10	1.15	-38.72
CN1C=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005022978	0	30	-1.0	-43.41	269.42	2.38	-41.03
CCN1N=CC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022979	0	31	-1.0	-37.97	280.04	0.76	-37.21
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Cl)=CC=C1F	REAL250005022980	0	23	-1.0	-41.55	239.77	-0.17	-41.72
COC(=O)C1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022981	0	33	-1.0	-41.69	300.56	2.38	-39.31
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005022982	0	33	-1.0	-38.12	285.24	2.63	-35.49
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL250005022983	0	26	-1.0	-47.36	265.44	2.24	-45.12
O=C(NCC1=NC(=O)O[N-]1)C1=C([N+](=O)[O-])C=NN1	REAL250005022984	0	23	-1.0	-37.06	226.70	-0.84	-37.90
O=C(NCC1=NC(=O)O[N-]1)C1=NNC=C1[N+](=O)[O-]	REAL250005022984	1	23	-1.0	-45.99	227.73	-0.89	-46.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCC2)=C1	REAL250005022985	0	34	-1.0	-36.26	296.61	0.29	-35.97
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC(C)C	REAL250005022986	0	36	-1.0	-39.40	297.69	1.25	-38.15
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005022987	0	28	-1.0	-35.20	267.05	2.10	-33.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=CNC2=N1	REAL250005022988	0	26	-1.0	-42.35	243.90	-0.01	-42.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=CN=C2N1	REAL250005022988	1	26	-1.0	-37.39	241.53	0.01	-37.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=S=NC2=C1	REAL250005022989	0	25	-1.0	-37.08	245.22	-0.61	-37.69
CN(C)CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005022990	0	31	-1.0	-39.23	276.99	-2.04	-41.27
O=C(CSCC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL250005022991	0	24	-1.0	-38.25	249.18	0.50	-37.75
CC(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005022992	0	29	-1.0	-38.86	264.05	0.55	-38.31
CC1=CC=C(C(C)C(O)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005022993	0	37	-1.0	-35.93	307.90	1.86	-34.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=N1	REAL250005022994	0	23	-1.0	-40.87	239.80	-0.17	-41.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1C(F)(F)F	REAL250005022995	0	26	-1.0	-39.49	247.76	0.43	-39.06
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005022997	0	32	-1.0	-38.42	291.35	1.62	-36.80
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1F	REAL250005022998	0	30	-1.0	-34.85	268.09	2.39	-32.46
CC(C)N1C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022999	0	31	-1.0	-38.39	266.71	1.91	-36.48
CC1=C(C)NC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023000	0	29	-1.0	-51.58	261.15	-1.28	-52.86
O=C(CC(O)C1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005023001	0	31	-1.0	-39.67	280.26	0.34	-39.33
COC(=O)C1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023002	0	28	-1.0	-37.05	268.96	-1.92	-38.97
CC1(CCC(=O)NCC2=NC(=O)O[N-]2)CCC(=O)N1	REAL250005023003	0	34	-1.0	-41.63	285.96	-1.23	-42.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2C(=O)NN=C12	REAL250005023004	0	27	-1.0	-45.77	251.89	-0.27	-46.04
CC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023005	0	27	-1.0	-36.69	253.92	2.25	-34.44
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005023006	0	32	-1.0	-37.78	269.24	1.06	-36.72
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C=CC=CN12	REAL250005023007	0	27	-1.0	-42.22	246.57	1.36	-40.86
CC(C)[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023008	0	39	-1.0	-35.16	302.81	3.02	-32.14
CCN1C=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023009	0	29	-1.0	-39.80	268.19	-0.46	-40.26
CC(=CC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023010	0	31	-1.0	-36.89	285.04	3.33	-33.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2OC1	REAL250005023011	0	30	-1.0	-36.38	273.42	1.62	-34.76
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(F)C=C2C1	REAL250005023012	0	32	-1.0	-35.17	282.15	1.65	-33.52
CC1CC(=O)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023013	0	32	-1.0	-37.72	260.75	0.80	-36.92
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005023014	0	27	-1.0	-38.15	252.38	2.14	-36.01
CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005023015	0	36	-1.0	-34.98	273.52	2.24	-32.74
CCC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005023016	0	32	-1.0	-37.43	288.70	2.42	-35.01
CC1(C)OCC(C)(C(=O)NCC2=NC(=O)O[N-]2)CO1	REAL250005023017	0	35	-1.0	-40.61	281.58	0.05	-40.56
CCC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023018	0	39	-1.0	-36.62	311.46	3.83	-32.79
O=C(NCC1=NC(=O)O[N-]1)C1(O)CCSCC1	REAL250005023019	0	29	-1.0	-34.64	253.17	-1.79	-36.43
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2CCCO2)=N1	REAL250005023020	0	31	-1.0	-40.62	287.43	-0.96	-41.58
CCN1CCOCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023021	0	33	-1.0	-35.90	266.52	-2.87	-38.77
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2S1	REAL250005023022	0	26	-1.0	-40.79	256.53	0.55	-40.24
CC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL250005023023	0	34	-1.0	-35.85	272.13	0.08	-35.77
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2C=C1	REAL250005023024	0	30	-1.0	-43.48	269.88	1.44	-42.04
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CCO)C(=O)CC1	REAL250005023025	0	32	-1.0	-40.17	285.96	-4.19	-44.36
COC(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023026	0	36	-1.0	-41.92	295.03	1.78	-40.14
CC(CN1CCOCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023027	1	36	-1.0	-35.97	292.46	-1.81	-37.78
COC(=O)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023028	0	29	-1.0	-37.97	271.06	-0.07	-38.04
CN(C)S(=O)(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023029	0	31	-1.0	-41.41	282.80	-3.14	-44.55
O=C(CCC(=O)N1CCC(O)CC1)NCC1=NC(=O)O[N-]1	REAL250005023030	0	38	-1.0	-41.31	315.56	-2.29	-43.60
CN1C=C([N+](=O)[O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023031	0	26	-1.0	-46.69	250.54	0.45	-46.24
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL250005023032	0	32	-1.0	-38.65	271.43	0.82	-37.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(O)C=C1O	REAL250005023033	0	26	-1.0	-39.32	240.93	-3.24	-42.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1O	REAL250005023034	0	25	-1.0	-38.77	236.37	-0.34	-39.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1O)OCO2	REAL250005023036	0	28	-1.0	-39.19	255.98	-1.74	-40.93
CCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1O	REAL250005023037	0	31	-1.0	-38.82	271.66	1.05	-37.77
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1O	REAL250005023038	0	29	-1.0	-40.33	260.72	-2.00	-42.33
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CN(C)C1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023058	0	30	-1.0	-40.33	266.76	-0.96	-41.29
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CC(C)OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023070	0	33	-1.0	-39.17	292.51	-0.24	-39.41
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CC(C)C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005023073	0	32	-1.0	-36.38	296.90	0.26	-36.12
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CC(C)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023077	0	29	-1.0	-37.02	271.74	0.28	-36.74
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CCCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005023081	0	36	-1.0	-39.28	306.50	1.70	-37.58
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL250005023082	0	32	-1.0	-40.74	285.57	2.77	-37.97
CC1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL250005023083	0	32	-1.0	-39.67	283.80	2.04	-37.63
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CC1=C(CCCC(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005023085	0	33	-1.0	-37.48	297.45	2.97	-34.51
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CC1=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC=C1	REAL250005023089	0	31	-1.0	-36.62	276.08	1.64	-34.98
CCC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023090	0	34	-1.0	-41.89	289.82	0.11	-41.78
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CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=NC2=CC=CC=C21	REAL250005023093	0	33	-1.0	-39.89	289.86	2.83	-37.06
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC(=O)N1	REAL250005023094	0	27	-1.0	-38.29	241.91	-1.38	-39.67
CC1=NC(Cl)=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023095	0	29	-1.0	-38.59	274.44	0.82	-37.77
CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023096	0	32	-1.0	-37.61	276.22	1.12	-36.49
CC1=C(C2CC2C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005023097	0	31	-1.0	-36.02	284.78	2.80	-33.22
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CC1=CC(C)=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023099	0	36	-1.0	-36.47	309.97	3.86	-32.61
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CC1(C)CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023101	0	39	-1.0	-35.71	299.56	2.88	-32.83
CC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023102	0	29	-1.0	-43.88	262.37	1.46	-42.42
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CN1C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL250005023104	0	31	-1.0	-39.10	279.09	-0.09	-39.19
CC1=NN=C2CCC(C(=O)NCC3=NC(=O)O[N-]3)CN12	REAL250005023105	0	33	-1.0	-39.99	280.56	1.69	-38.30
CCSC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023106	0	34	-1.0	-37.87	307.43	3.59	-34.28
CC1=CC(Cl)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023107	0	27	-1.0	-34.49	253.91	2.25	-32.24
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CC(C)(C)C1CCC(=CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023109	0	43	-1.0	-36.02	325.14	3.86	-32.16
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL250005023110	0	33	-1.0	-37.10	292.03	3.05	-34.05
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CCOC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005023113	0	33	-1.0	-36.33	284.29	1.72	-34.61
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CC(CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005023115	0	36	-1.0	-37.23	302.92	3.66	-33.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OC(=O)N2	REAL250005023116	0	27	-1.0	-45.67	252.41	-0.98	-46.65
CC(C)(C)C1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023117	0	45	-1.0	-35.22	327.36	3.77	-31.45
CC1=CC=C(F)C(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023118	0	31	-1.0	-41.47	282.30	2.34	-39.13
CN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005023119	0	32	-1.0	-40.47	277.84	1.55	-38.92
CCOC(=O)NCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023120	0	34	-1.0	-39.79	300.73	-1.81	-41.60
CC1(C)CCCCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023121	0	39	-1.0	-35.41	292.31	2.62	-32.79
O=C(CC1CSCCS1)NCC1=NC(=O)O[N-]1	REAL250005023122	0	29	-1.0	-37.72	268.14	1.58	-36.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CN=CN2C=C1	REAL250005023123	0	27	-1.0	-38.69	248.34	2.48	-36.21
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCSCC1	REAL250005023124	0	33	-1.0	-35.60	274.53	-0.65	-36.25
NC(=O)C1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005023125	0	27	-1.0	-40.75	265.56	-3.39	-44.14
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCN2N=C1	REAL250005023126	0	31	-1.0	-39.79	265.20	0.45	-39.34
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C(C)C=C21	REAL250005023127	0	34	-1.0	-36.83	293.86	2.35	-34.48
CC1=NC(Cl)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023128	0	26	-1.0	-34.00	249.29	0.36	-33.64
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL250005023129	0	26	-1.0	-40.53	247.36	-0.44	-40.97
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CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CCC(C)C	REAL250005023131	0	39	-1.0	-38.94	324.06	2.21	-36.73
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=N1	REAL250005023132	0	26	-1.0	-36.38	246.78	-0.48	-36.86
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CN1N=C2CCCCC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023134	0	34	-1.0	-37.80	289.73	1.09	-36.71
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CCCC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005023137	0	37	-1.0	-35.81	295.36	1.16	-34.65
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CC1=CC=NC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023146	0	30	-1.0	-38.77	268.39	0.99	-37.78
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COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005023248	0	31	-1.0	-37.39	278.08	1.87	-35.52
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(=O)N1	REAL250005023249	0	27	-1.0	-40.38	247.28	-1.45	-41.83
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CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(N(C)C)=N1	REAL250005023252	0	31	-1.0	-38.82	281.75	0.58	-38.24
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CC1=NC2=CC=NN2C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023260	0	32	-1.0	-38.14	287.84	0.95	-37.19
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CC(C)(C)SCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023266	0	36	-1.0	-37.36	308.30	2.74	-34.62
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CC(C)(CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005023268	0	39	-1.0	-37.06	314.68	3.87	-33.19
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CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL250005023272	0	36	-1.0	-35.91	277.86	2.23	-33.68
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CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005023277	0	36	-1.0	-35.65	307.48	3.38	-32.27
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COC1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023280	0	37	-1.0	-36.53	295.96	1.14	-35.39
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CCC(CC)N1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005023282	0	39	-1.0	-43.20	326.77	2.37	-40.83
CC(CC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023283	0	33	-1.0	-37.08	296.40	3.40	-33.68
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CC(C)(C)S(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023287	0	32	-1.0	-47.16	282.54	-2.26	-49.42
COC1=CC=CC=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023288	0	32	-1.0	-40.21	292.98	1.53	-38.68
CC(CC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023289	0	33	-1.0	-35.63	299.25	3.51	-32.12
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005023290	0	33	-1.0	-35.91	287.65	3.02	-32.89
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CCC(C(=O)NCC1=NC(=O)O[N-]1)C1CCC(C)CC1	REAL250005023292	0	42	-1.0	-35.69	311.36	3.40	-32.29
CC(C)CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005023293	0	37	-1.0	-36.89	310.48	0.42	-36.47
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CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005023295	0	36	-1.0	-36.50	275.87	2.14	-34.36
CNC1=NN=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023296	0	27	-1.0	-42.20	263.55	-2.03	-44.23
CCC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005023297	0	31	-1.0	-38.73	281.68	2.03	-36.70
O=C(C=CC1=CC(F)=C(F)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005023298	0	28	-1.0	-37.05	274.64	2.43	-34.62
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1Cl	REAL250005023299	0	27	-1.0	-41.92	264.12	-0.89	-42.81
CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023300	0	30	-1.0	-36.98	276.11	2.20	-34.78
COC1=CC=CC=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023301	0	30	-1.0	-41.16	269.00	1.46	-39.70
CC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005023302	0	31	-1.0	-36.51	276.21	-0.09	-36.60
NC(=O)C1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023303	0	27	-1.0	-44.12	250.81	-2.93	-47.05
CN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005023304	0	31	-1.0	-41.74	269.86	-0.29	-42.03
CN1CCN(CC(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005023305	0	33	-1.0	-43.85	277.54	-2.87	-46.72
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NC1=NC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023308	0	27	-1.0	-37.11	254.82	-0.97	-38.08
CC(=O)[C@@H]1C[C@H](CC(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005023309	0	38	-1.0	-38.00	308.89	2.34	-35.66
CCCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005023310	0	29	-1.0	-39.58	265.11	-2.08	-41.66
CCC1CCCCC1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023314	0	40	-1.0	-37.64	320.08	3.01	-34.63
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CC(C)(O)C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023316	0	27	-1.0	-35.62	242.56	-1.80	-37.42
CC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1	REAL250005023317	0	27	-1.0	-42.10	248.64	-1.47	-43.57
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL250005023318	0	28	-1.0	-43.08	268.81	-2.28	-45.36
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NN=C1C1=CC=CC=C1	REAL250005023319	0	34	-1.0	-36.88	298.38	1.63	-35.25
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CC1=CC(C)=NC(=O)N1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023321	0	32	-1.0	-51.69	283.53	-0.80	-52.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(C2CC2)=N1	REAL250005023322	0	30	-1.0	-37.41	271.38	-1.18	-38.59
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CC(CCC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023324	0	38	-1.0	-35.46	300.15	2.51	-32.95
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CC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1C	REAL250005023326	0	31	-1.0	-39.46	268.28	-0.78	-40.24
CN1N=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL250005023327	0	29	-1.0	-38.66	264.14	-0.37	-39.03
CC1(C)CC(CC(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005023328	0	37	-1.0	-36.03	291.40	0.75	-35.28
CC1CCN(C(=O)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023329	0	34	-1.0	-37.42	280.50	0.05	-37.37
CC1CCCN(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023330	0	34	-1.0	-37.56	280.50	0.03	-37.53
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NC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023333	0	27	-1.0	-38.53	255.29	-3.85	-42.38
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CC1=CC(Cl)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005023335	0	30	-1.0	-37.73	272.71	2.79	-34.94
CC1=CC=C(F)C=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023336	0	29	-1.0	-37.20	264.29	1.65	-35.55
CC(C)C1CC(CC(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005023337	0	40	-1.0	-35.73	315.63	1.72	-34.01
CC1=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL250005023338	0	31	-1.0	-38.77	281.76	-1.68	-40.45
CCOC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005023339	0	27	-1.0	-41.04	254.92	-4.39	-45.43
CCC1=NN=C(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023340	0	31	-1.0	-34.73	268.12	0.15	-34.58
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N=N1	REAL250005023341	0	31	-1.0	-34.54	270.17	0.21	-34.33
CC1(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)COC1	REAL250005023342	0	34	-1.0	-45.00	297.23	-1.91	-46.91
NC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005023343	0	25	-1.0	-40.26	242.64	-4.14	-44.40
N#CC1CC2(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005023344	0	32	-1.0	-43.27	280.82	2.15	-41.12
COC1=CC2=C(C=C1C(=O)NCC1=NC(=O)O[N-]1)OCO2	REAL250005023345	0	31	-1.0	-40.80	274.44	0.27	-40.53
CCC1CC(CC(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005023346	0	37	-1.0	-35.91	298.61	1.19	-34.72
O=C(C=CC1=CC=C(O)C=C1)NCC1=NC(=O)O[N-]1	REAL250005023347	0	29	-1.0	-38.44	266.65	-0.59	-39.03
CC(C)(C)C(Br)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023348	0	29	-1.0	-34.23	256.87	0.93	-33.30
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1O	REAL250005023350	0	29	-1.0	-37.83	261.30	-1.81	-39.64
O=C(CCC1=CC=C(O)C=C1)NCC1=NC(=O)O[N-]1	REAL250005023352	0	31	-1.0	-37.80	278.17	-0.32	-38.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=NNN=C21	REAL250005023353	0	26	-1.0	-41.90	241.74	-1.63	-43.53
O=C(CCCC1=CC=C(O)C=C1)NCC1=NC(=O)O[N-]1	REAL250005023354	0	34	-1.0	-39.44	299.67	0.47	-38.97
CCCCC(ON=C(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023356	0	39	-1.0	-38.89	330.62	3.22	-35.67
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCCC1	REAL250005023357	0	36	-1.0	-35.84	263.67	2.63	-33.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC(Cl)=C1	REAL250005023358	0	24	-1.0	-36.07	242.88	-1.63	-37.70
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL250005023359	0	30	-1.0	-42.33	268.12	0.05	-42.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2N=C1	REAL250005023360	0	27	-1.0	-42.91	252.29	-1.46	-44.37
CC(O)(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005023361	0	34	-1.0	-36.04	285.99	0.76	-35.28
CC1CC(C)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023362	0	36	-1.0	-36.02	282.06	2.34	-33.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=N1)OCCC2	REAL250005023363	0	31	-1.0	-40.65	272.01	-0.02	-40.67
CCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023364	0	30	-1.0	-39.17	269.19	0.44	-38.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1C1CC1	REAL250005023365	0	30	-1.0	-36.83	263.50	1.60	-35.23
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=C1	REAL250005023366	0	28	-1.0	-42.57	267.64	1.71	-40.86
CCC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005023367	0	34	-1.0	-35.82	273.86	0.38	-35.44
CC(C)CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023368	0	33	-1.0	-38.93	284.54	1.25	-37.68
CC1=NN(C(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023369	0	36	-1.0	-37.60	304.14	1.41	-36.19
CC(C)OC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023370	0	32	-1.0	-37.09	287.31	-2.19	-39.28
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005023371	0	34	-1.0	-37.57	299.46	-0.68	-38.25
O=C(NCC1=NC(=O)O[N-]1)C1CCCCS1(=O)=O	REAL250005023373	0	30	-1.0	-47.44	266.07	-1.87	-49.31
O=C(NCC1=NC(=O)O[N-]1)C(=O)NCC(F)F	REAL250005023374	0	24	-1.0	-38.94	237.26	-3.25	-42.19
CC(C(=O)NCC1=NC(=O)O[N-]1)N(C)CC(F)(F)F	REAL250005023375	0	31	-1.0	-38.06	268.24	-1.11	-39.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=NNN=C21	REAL250005023376	0	26	-1.0	-38.53	248.10	-1.57	-40.10
O=C(NCC1=NC(=O)O[N-]1)C12CC(C3=CC=CC=C3)(C1)C2	REAL250005023377	0	35	-1.0	-36.31	303.45	4.21	-32.10
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCOC2=C1	REAL250005023378	0	29	-1.0	-41.77	259.88	-2.11	-43.88
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2C1	REAL250005023379	0	31	-1.0	-36.24	268.08	2.78	-33.46
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250005023380	0	32	-1.0	-37.83	289.90	2.93	-34.90
COC1=CC=C2CCC(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL250005023381	0	35	-1.0	-40.09	296.18	2.13	-37.96
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)CCCO1	REAL250005023382	0	32	-1.0	-37.50	271.13	0.93	-36.57
COC(=O)C12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)C2	REAL250005023383	0	37	-1.0	-38.88	310.20	2.10	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1[N+](=O)[O-]	REAL250005023384	0	23	-1.0	-42.34	226.80	0.07	-42.27
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1(O)CCCC1	REAL250005023385	0	31	-1.0	-35.84	268.04	-1.25	-37.09
CN(C)C(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023386	0	31	-1.0	-40.44	270.57	-0.73	-41.17
CC(=O)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005023387	0	32	-1.0	-42.29	271.98	1.57	-40.72
CCN1C=C([N+](=O)[O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023388	0	29	-1.0	-46.58	271.84	1.29	-45.29
CC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005023389	0	24	-1.0	-36.99	246.85	1.17	-35.82
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1CCOCC1	REAL250005023390	0	31	-1.0	-34.59	265.08	-0.28	-34.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCC2)C=C1	REAL250005023391	0	34	-1.0	-36.69	286.84	3.64	-33.05
CCCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1CC	REAL250005023392	0	39	-1.0	-39.16	328.83	2.43	-36.73
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=NC=CS1	REAL250005023394	0	23	-1.0	-38.39	240.71	-0.82	-39.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CS1	REAL250005023395	0	21	-1.0	-34.69	230.14	0.56	-34.13
O=C(CC1=CC=C2NC(=O)NC2=C1)NCC1=NC(=O)O[N-]1	REAL250005023396	0	31	-1.0	-41.51	281.53	-1.45	-42.96
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(Cl)S1	REAL250005023397	0	23	-1.0	-39.52	243.72	-0.63	-40.15
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1(O)CCCCC1	REAL250005023398	0	34	-1.0	-35.51	282.13	0.17	-35.34
CCCOC1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023399	0	33	-1.0	-44.74	289.20	1.63	-43.11
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Cl)S1	REAL250005023401	0	23	-1.0	-35.31	250.30	0.55	-34.76
COC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL250005023402	0	34	-1.0	-38.83	283.22	1.55	-37.28
CCC1=NN(C)C(CC)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023403	0	39	-1.0	-40.48	330.62	1.96	-38.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NNC=C2)S1	REAL250005023404	0	28	-1.0	-39.97	275.13	0.27	-39.70
CC1=CN2C=CN=C(C(=O)NCC3=NC(=O)O[N-]3)C2=N1	REAL250005023405	0	29	-1.0	-48.68	266.87	0.65	-48.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC=C1C(F)(F)F	REAL250005023406	0	26	-1.0	-36.41	246.83	0.29	-36.12
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023408	0	31	-1.0	-36.67	288.03	2.74	-33.93
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1	REAL250005023409	0	31	-1.0	-38.49	272.84	1.02	-37.47
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(Cl)=N1	REAL250005023410	0	22	-1.0	-37.02	230.02	-2.13	-39.15
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL250005023411	0	27	-1.0	-41.70	265.55	0.17	-41.53
CC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005023412	0	34	-1.0	-40.76	288.43	0.78	-39.98
CC(=O)NC1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023413	0	34	-1.0	-39.25	293.03	0.63	-38.62
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Cl)=C1	REAL250005023414	0	21	-1.0	-34.92	229.49	0.60	-34.32
CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005023415	0	33	-1.0	-35.28	294.93	3.39	-31.89
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005023416	0	35	-1.0	-37.76	278.35	3.10	-34.66
CC1C(=O)CCC(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005023417	0	38	-1.0	-37.04	293.02	1.83	-35.21
O=C(CC1CCC2(CC1)OCCO2)NCC1=NC(=O)O[N-]1	REAL250005023418	0	39	-1.0	-37.78	311.09	0.87	-36.91
COC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023419	0	34	-1.0	-38.70	272.83	0.15	-38.55
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CSC=C1	REAL250005023420	0	28	-1.0	-38.53	267.60	0.09	-38.44
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CN=C2)CC1	REAL250005023421	0	30	-1.0	-37.82	267.12	0.96	-36.86
CCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL250005023422	0	33	-1.0	-34.70	298.06	3.62	-31.08
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C(F)C1=O	REAL250005023423	0	24	-1.0	-61.42	230.36	-0.92	-62.34
CCCCCC(C)(CC)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023424	0	41	-1.0	-35.96	318.83	3.28	-32.68
CN1C=C(C2=NNC=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023425	0	31	-1.0	-42.92	281.01	-1.15	-44.07
CN1C=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2)C=N1	REAL250005023425	1	31	-1.0	-43.19	281.73	-1.25	-44.44
CCN1C=C(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023426	0	30	-1.0	-40.80	270.10	0.39	-40.41
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=O)C2=CC=CC=C12	REAL250005023427	0	30	-1.0	-38.37	267.01	0.28	-38.09
COC1=CC=CC(CC(O)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023428	0	35	-1.0	-38.91	306.39	-0.24	-39.15
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023429	0	38	-1.0	-45.78	316.24	1.09	-44.69
CC(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023430	0	30	-1.0	-38.98	266.32	0.19	-38.79
NC(=O)C1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023431	0	34	-1.0	-39.53	276.11	-2.20	-41.73
CCC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023432	0	33	-1.0	-37.01	281.48	2.87	-34.14
O=C(CCCC1=CC=C(O)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005023433	0	34	-1.0	-40.63	305.90	0.54	-40.09
COC(=O)C1=CC(O)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023434	0	31	-1.0	-40.10	286.90	-1.15	-41.25
O=C(NCC1=NC(=O)O[N-]1)C1=NOC2=C1CCCCC2	REAL250005023435	0	33	-1.0	-39.92	274.55	1.50	-38.42
CC(=O)[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005023436	0	35	-1.0	-42.45	274.28	3.30	-39.15
COC1=CC(C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023437	0	31	-1.0	-41.01	269.84	2.27	-38.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1Cl	REAL250005023438	0	23	-1.0	-34.05	245.89	0.21	-33.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(F)=C1F	REAL250005023439	0	23	-1.0	-36.70	227.26	-0.72	-37.42
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=NN1	REAL250005023440	0	30	-1.0	-35.95	272.80	-0.34	-36.29
O=C(NCC1=NC(=O)O[N-]1)C1=NNN=C1C1=CC=CC=C1	REAL250005023440	1	30	-1.0	-38.23	272.11	-0.38	-38.61
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N1C=NN=C1	REAL250005023441	0	30	-1.0	-41.13	273.31	2.17	-38.96
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2F)CC1	REAL250005023442	0	34	-1.0	-36.90	303.32	3.67	-33.23
CC(=O)CC(C)(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023443	0	34	-1.0	-40.68	274.23	1.23	-39.45
N#CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1O	REAL250005023444	0	26	-1.0	-37.42	252.27	-1.37	-38.79
COC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL250005023445	0	32	-1.0	-42.60	292.60	0.45	-42.15
CC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005023446	0	37	-1.0	-36.60	301.97	3.66	-32.94
COCCN1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023447	0	31	-1.0	-36.18	276.90	-1.31	-37.49
C=CC(C)(CCOC)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023448	0	34	-1.0	-37.69	280.72	0.61	-37.08
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005023449	0	30	-1.0	-38.19	280.40	1.78	-36.41
CC[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023450	0	36	-1.0	-35.15	285.97	2.56	-32.59
CC1=CC2=C(C=C1C)C(C(=O)NCC1=NC(=O)O[N-]1)CO2	REAL250005023451	0	35	-1.0	-39.33	298.61	1.95	-37.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=N1	REAL250005023452	0	27	-1.0	-42.43	257.60	-1.14	-43.57
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(=O)NC1=O	REAL250005023453	0	28	-1.0	-36.54	260.05	-3.48	-40.02
O=C(CC1=C2CCCCC2=NN1)NCC1=NC(=O)O[N-]1	REAL250005023454	0	34	-1.0	-39.62	288.38	0.43	-39.19
O=C(CC1=NNC2=C1CCCC2)NCC1=NC(=O)O[N-]1	REAL250005023454	1	34	-1.0	-41.33	288.42	0.42	-40.91
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(Cl)C(C2CC2)=C1	REAL250005023455	0	30	-1.0	-35.40	279.85	1.70	-33.70
CC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N=C1C	REAL250005023456	0	34	-1.0	-34.24	290.37	1.02	-33.22
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C=C1	REAL250005023457	0	34	-1.0	-44.79	308.04	2.68	-42.11
COCCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023458	0	31	-1.0	-42.35	281.73	-1.27	-43.62
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL250005023459	0	28	-1.0	-41.41	250.45	-2.83	-44.24
C=CCSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023460	0	32	-1.0	-39.43	291.12	3.46	-35.97
CNC(=O)CCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023461	0	33	-1.0	-41.77	288.34	-1.37	-43.14
O=C(NCC1=NC(=O)O[N-]1)C(O)C1CCCCC1	REAL250005023462	0	34	-1.0	-35.24	274.46	0.02	-35.22
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CC1	REAL250005023463	0	34	-1.0	-39.00	304.97	3.76	-35.24
O=C(CCCCN1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005023464	0	39	-1.0	-37.20	317.07	-1.21	-38.41
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=NC=CN2N=C1	REAL250005023465	0	26	-1.0	-39.95	243.58	-1.04	-40.99
CS(=O)C1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023466	0	32	-1.0	-49.32	287.37	0.94	-48.38
O=C(CC1=CC2=NNC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005023467	0	30	-1.0	-45.17	272.00	0.44	-44.73
CN1C=NC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023468	0	30	-1.0	-39.72	266.93	1.64	-38.08
O=C(NCC1=NC(=O)O[N-]1)C1COCCN1C1CCCC1	REAL250005023469	0	40	-1.0	-36.52	309.13	-1.11	-37.63
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C(F)(F)F)=N1	REAL250005023470	0	23	-1.0	-40.26	249.37	-0.87	-41.13
CN(C)C1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023471	0	38	-1.0	-37.34	318.26	2.92	-34.42
CN1N=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023472	0	26	-1.0	-35.86	252.08	0.47	-35.39
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C=CC=C1F	REAL250005023473	0	25	-1.0	-41.87	241.86	-1.85	-43.72
COC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005023474	0	31	-1.0	-37.87	282.59	1.60	-36.27
CCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005023475	0	36	-1.0	-37.66	308.79	1.80	-35.86
CN1N=C2C=CC=CC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023476	0	30	-1.0	-39.34	273.01	0.88	-38.46
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005023477	0	34	-1.0	-35.44	266.68	0.10	-35.34
CC1=COC(C2=CC=CC=C2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023478	0	34	-1.0	-41.74	303.14	3.25	-38.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(CC2CC2)=N1	REAL250005023479	0	33	-1.0	-36.90	293.19	-0.58	-37.48
CCOC1CC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023480	0	34	-1.0	-38.66	288.88	0.75	-37.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(O)=C1O	REAL250005023481	0	26	-1.0	-40.46	240.71	-2.72	-43.18
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL250005023482	0	26	-1.0	-47.75	252.13	-0.39	-48.14
CC(C)(C)C1=CN=C(CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005023483	0	38	-1.0	-38.20	325.64	-0.01	-38.21
O=C(NCC1=NC(=O)O[N-]1)C1=NNC2=C1CCCCC2	REAL250005023484	0	34	-1.0	-41.41	278.26	0.32	-41.09
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCCC2=NN1	REAL250005023484	1	34	-1.0	-36.03	277.19	0.38	-35.65
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CC2CC2)=N1	REAL250005023485	0	33	-1.0	-35.99	300.34	1.83	-34.16
CC1=C(C)C=C2C(C(=O)NCC3=NC(=O)O[N-]3)=COC2=C1	REAL250005023486	0	33	-1.0	-39.56	288.82	2.60	-36.96
COCC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023487	0	34	-1.0	-38.37	300.81	1.45	-36.92
C=CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005023488	0	34	-1.0	-36.17	294.53	3.53	-32.64
COC1=NC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023489	0	30	-1.0	-39.79	277.57	-3.04	-42.83
CN1N=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023490	0	30	-1.0	-38.08	267.41	0.07	-38.01
O=C(CCC1=CC=CC2=C1OCO2)NCC1=NC(=O)O[N-]1	REAL250005023491	0	33	-1.0	-39.98	293.21	1.19	-38.79
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C(F)(F)F)O1	REAL250005023492	0	27	-1.0	-36.54	261.00	1.08	-35.46
CCSCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005023493	0	30	-1.0	-40.21	287.95	1.24	-38.97
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C(F)(F)F)N=C1	REAL250005023494	0	25	-1.0	-33.79	251.82	-0.54	-34.33
CN(C)C1=NOC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023495	0	33	-1.0	-39.27	295.05	0.38	-38.89
CC(C)(C)OCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005023496	0	36	-1.0	-39.71	311.59	0.31	-39.40
C[C@H](OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023497	0	34	-1.0	-39.06	299.21	2.86	-36.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC(C2CC2)=C1	REAL250005023498	0	31	-1.0	-38.68	275.77	0.20	-38.48
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL250005023499	0	26	-1.0	-35.52	254.79	0.33	-35.19
N#CC1=CC(O)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023500	0	26	-1.0	-39.44	252.98	-1.41	-40.85
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005023501	0	28	-1.0	-41.68	271.51	-5.88	-47.56
O=C(CC1=CC=CC=C1CO)NCC1=NC(=O)O[N-]1	REAL250005023502	0	31	-1.0	-38.83	272.77	-0.93	-39.76
N#CC1=C(F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023503	0	25	-1.0	-42.10	244.38	1.32	-40.78
COC1=CC=C(F)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023504	0	31	-1.0	-38.81	280.47	1.16	-37.65
O=C(CCC(=O)C1=CC=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005023505	0	31	-1.0	-40.42	283.86	0.72	-39.70
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023506	0	34	-1.0	-44.44	300.93	2.88	-41.56
O=C(NCC1=NC(=O)O[N-]1)C12CC(C(F)(F)F)(C1)C2	REAL250005023507	0	28	-1.0	-34.48	263.87	1.61	-32.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=CC=NC=C21	REAL250005023509	0	28	-1.0	-37.17	252.37	-0.38	-37.55
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(F)=C1F	REAL250005023510	0	24	-1.0	-40.82	243.70	1.06	-39.76
O=C(CCC1=CN=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005023511	0	35	-1.0	-38.96	305.05	2.89	-36.07
COC(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023512	0	33	-1.0	-42.49	298.08	2.48	-40.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NNC=N2)C=C1	REAL250005023513	0	30	-1.0	-41.94	276.17	1.92	-40.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=CN2)C=C1	REAL250005023513	1	30	-1.0	-42.51	274.61	2.25	-40.26
CC(NC(=O)CC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023514	0	39	-1.0	-36.38	317.46	-0.04	-36.42
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2CCCCC2)=N1	REAL250005023515	0	36	-1.0	-39.09	306.06	-0.35	-39.44
NC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023516	0	28	-1.0	-41.82	259.07	-0.07	-41.89
O=C(CNC(=O)C1=CC=NC=C1)NCC1=NC(=O)O[N-]1	REAL250005023517	0	30	-1.0	-38.33	275.28	-2.22	-40.55
CCOC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023518	0	29	-1.0	-36.96	267.18	-3.11	-40.07
N#CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005023519	0	25	-1.0	-35.13	257.30	1.84	-33.29
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC(Cl)=C1F	REAL250005023520	0	23	-1.0	-40.18	239.25	-0.10	-40.28
O=C(CNC(=O)C1=CC=CC(O)=C1)NCC1=NC(=O)O[N-]1	REAL250005023521	0	32	-1.0	-40.41	291.12	-3.31	-43.72
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Cl)=N1	REAL250005023522	0	20	-1.0	-39.56	225.45	-1.45	-41.01
O=C(NCC1=NC(=O)O[N-]1)C1=COC(CC2CC2)=N1	REAL250005023523	0	30	-1.0	-39.70	275.22	-1.31	-41.01
C=CCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005023524	0	37	-1.0	-36.14	317.74	4.23	-31.91
O=C(NCC1=NC(=O)O[N-]1)C1COCCN1CC(F)F	REAL250005023525	0	33	-1.0	-35.96	275.75	-2.67	-38.63
CN1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005023526	0	33	-1.0	-37.52	281.85	0.88	-36.64
N#CC(=CC1=CC=C(O)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023527	0	30	-1.0	-42.73	282.08	-0.51	-43.24
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN(C)C1=O	REAL250005023528	0	33	-1.0	-39.07	288.18	1.26	-37.81
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C(=S)NN=C2C=C1	REAL250005023529	0	27	-1.0	-39.48	265.00	2.02	-37.46
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=N1	REAL250005023530	0	32	-1.0	-41.62	272.24	1.63	-39.99
O=C(CC1CC1(Cl)Cl)NCC1=NC(=O)O[N-]1	REAL250005023531	0	24	-1.0	-36.98	248.12	1.30	-35.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=N1)CCCC2	REAL250005023532	0	33	-1.0	-40.14	281.09	1.81	-38.33
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023533	0	34	-1.0	-46.74	297.84	-0.32	-47.06
CC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023533	1	34	-1.0	-44.45	297.82	-0.29	-44.74
COC1=COC(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005023534	0	27	-1.0	-39.61	253.78	-0.93	-40.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=NC=C2N=C1	REAL250005023535	0	28	-1.0	-37.53	257.33	-0.34	-37.87
CC1=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC2=C1	REAL250005023536	0	31	-1.0	-36.89	275.28	3.37	-33.52
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2OCCO2)S1	REAL250005023537	0	29	-1.0	-39.35	276.84	-2.15	-41.50
CC(O)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023538	0	27	-1.0	-36.87	261.70	-3.62	-40.49
CCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=N1	REAL250005023539	0	35	-1.0	-36.87	295.18	2.06	-34.81
CN1C=C(C(O)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023540	0	28	-1.0	-38.99	258.30	-2.55	-41.54
CC(C)(C)C1=NN=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023541	0	31	-1.0	-39.76	286.57	-0.37	-40.13
CC1=CC=C2OC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=C1	REAL250005023542	0	35	-1.0	-38.58	299.27	3.40	-35.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NO1	REAL250005023543	0	27	-1.0	-36.68	251.94	0.57	-36.11
CC(O)(CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023544	0	37	-1.0	-37.08	314.24	0.63	-36.45
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL250005023545	0	30	-1.0	-39.44	274.14	2.68	-36.76
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023546	0	37	-1.0	-36.81	311.11	4.30	-32.51
CC1=C(C#N)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023547	0	28	-1.0	-36.69	255.59	1.96	-34.73
COCCOC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023548	0	34	-1.0	-39.57	301.16	-1.26	-40.83
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C2N1	REAL250005023549	0	30	-1.0	-47.67	268.29	0.67	-47.00
CC1=NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2N1	REAL250005023549	1	30	-1.0	-38.96	266.83	0.70	-38.26
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC=CC(=O)N2N=C1	REAL250005023550	0	27	-1.0	-47.86	253.51	-1.12	-48.98
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C#N	REAL250005023551	0	28	-1.0	-37.13	261.08	1.94	-35.19
CN1N=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CN=C21	REAL250005023552	0	28	-1.0	-43.98	259.14	-1.13	-45.11
O=C(NCC1=NC(=O)O[N-]1)C1CCN(CC(F)F)CC1	REAL250005023553	0	35	-1.0	-38.32	284.84	-0.65	-38.97
O=C(NCC1=NC(=O)O[N-]1)C1C2C3CC4C5CC(C2C35)C41	REAL250005023554	0	37	-1.0	-36.40	280.88	3.36	-33.04
O=C(COC1=CSC=C1)NCC1=NC(=O)O[N-]1	REAL250005023555	0	25	-1.0	-37.96	245.49	0.59	-37.37
CCC1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023556	0	36	-1.0	-35.27	281.25	2.49	-32.78
CC1=C(F)C=CC(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023557	0	27	-1.0	-37.09	265.43	1.89	-35.20
CC(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL250005023558	0	32	-1.0	-39.62	278.08	-0.60	-40.22
CC1CCC(O)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023559	0	34	-1.0	-35.69	271.31	-1.52	-37.21
COC1=CC=C2OC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL250005023560	0	31	-1.0	-41.94	279.28	0.66	-41.28
CC(C)C(NC(=O)C(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023561	0	42	-1.0	-36.62	334.94	0.74	-35.88
O=C(NCC1=NC(=O)O[N-]1)[C@@H](O)CC1=CC=CC=C1	REAL250005023562	0	31	-1.0	-36.43	276.85	0.46	-35.97
O=C(NCC1=NC(=O)O[N-]1)C1=CON=C1C1CC1	REAL250005023563	0	27	-1.0	-36.04	250.30	0.66	-35.38
CNC1=NC(C)=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023564	0	30	-1.0	-38.73	272.18	0.23	-38.50
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)F)CCCCC1	REAL250005023565	0	33	-1.0	-34.72	269.69	1.84	-32.88
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)CN2N=NN=C2N1C	REAL250005023566	0	32	-1.0	-39.30	273.76	1.08	-38.22
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CN=N2)=C1	REAL250005023567	0	29	-1.0	-42.90	268.70	-0.83	-43.73
O=C(C=CC1=CN=CS1)NCC1=NC(=O)O[N-]1	REAL250005023568	0	24	-1.0	-37.67	240.98	-0.50	-38.17
NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1Cl	REAL250005023569	0	27	-1.0	-46.79	265.69	-3.45	-50.24
O=C(CC1=CC=C(Cl)S1)NCC1=NC(=O)O[N-]1	REAL250005023570	0	24	-1.0	-36.14	253.02	1.46	-34.68
CCC(C)CCC(O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023571	0	39	-1.0	-38.37	316.70	0.61	-37.76
NC1=C(F)C=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023572	0	26	-1.0	-33.49	253.10	-0.11	-33.60
O=C(NCC1=NC(=O)O[N-]1)C1CCCC(F)(F)C1	REAL250005023573	0	30	-1.0	-35.58	258.03	1.42	-34.16
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C=O)N1	REAL250005023574	0	27	-1.0	-38.60	250.01	-0.94	-39.54
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC(Cl)=CC2=C1	REAL250005023575	0	27	-1.0	-40.29	269.19	1.23	-39.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)NC2=N1	REAL250005023576	0	27	-1.0	-42.68	253.96	-2.84	-45.52
CC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CC2)=N1	REAL250005023577	0	32	-1.0	-35.85	280.15	1.35	-34.50
CC1=CC=C2C(C(=O)NCC3=NC(=O)O[N-]3)=CSC2=C1	REAL250005023578	0	30	-1.0	-38.25	276.89	3.03	-35.22
CC1=C(Cl)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023579	0	27	-1.0	-35.25	251.04	2.16	-33.09
NC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005023580	0	27	-1.0	-40.59	257.72	-0.25	-40.84
CC(C)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023582	0	34	-1.0	-38.37	291.34	0.40	-37.97
N#CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005023583	0	25	-1.0	-35.79	247.83	1.48	-34.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC(O)=C2C=CSC2=C1	REAL250005023584	0	28	-1.0	-38.29	268.86	-0.44	-38.73
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CN=C2S1	REAL250005023585	0	25	-1.0	-42.09	250.53	-1.41	-43.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NCC2CC2)N=C1	REAL250005023587	0	35	-1.0	-38.05	303.89	1.29	-36.76
CC1=C(C)SC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023588	0	26	-1.0	-39.18	248.92	-0.60	-39.78
CN1C=C2C(=N1)CCCC2C(=O)NCC1=NC(=O)O[N-]1	REAL250005023589	0	34	-1.0	-37.49	283.38	1.31	-36.18
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2CC2)=N1	REAL250005023590	0	30	-1.0	-36.42	278.45	1.19	-35.23
O=C(CC1CCC(F)(F)C1)NCC1=NC(=O)O[N-]1	REAL250005023591	0	30	-1.0	-36.25	262.10	1.56	-34.69
CC1=NC2=C(CCCC2C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023592	0	33	-1.0	-41.00	290.22	1.81	-39.19
O=C(CC1CC(C2=CC=CC=C2)C1)NCC1=NC(=O)O[N-]1	REAL250005023593	0	37	-1.0	-36.90	309.48	4.25	-32.65
O=C(CCCC1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005023594	0	37	-1.0	-36.71	300.56	1.09	-35.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2CCC2)=C1	REAL250005023595	0	34	-1.0	-37.07	286.84	3.62	-33.45
CSC1=C(F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023596	0	28	-1.0	-37.84	266.89	2.18	-35.66
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005023597	0	30	-1.0	-41.49	268.79	-0.63	-42.12
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CN(C)N=C1	REAL250005023598	0	31	-1.0	-40.20	281.61	-0.38	-40.58
CC1=NOC(C)=C1C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023599	0	35	-1.0	-37.50	283.58	1.20	-36.30
CC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL250005023600	0	32	-1.0	-36.61	279.75	2.22	-34.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1CC(F)F	REAL250005023601	0	27	-1.0	-37.12	254.66	-0.11	-37.23
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C(F)(F)F)CC1	REAL250005023602	0	33	-1.0	-38.08	277.75	2.07	-36.01
CC(=O)NC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023603	0	34	-1.0	-40.25	298.96	0.81	-39.44
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL250005023604	0	35	-1.0	-37.25	298.59	2.50	-34.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=CC=C12	REAL250005023605	0	30	-1.0	-36.22	268.14	3.34	-32.88
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=COC=C2)=N1	REAL250005023606	0	31	-1.0	-40.72	282.30	0.49	-40.23
CC(=O)N[C@H](CC1CCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023607	0	37	-1.0	-43.83	304.35	1.30	-42.53
CC1=CSC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023608	0	29	-1.0	-37.56	273.74	0.24	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=NC=C2)C=C1	REAL250005023609	0	30	-1.0	-43.64	277.65	0.44	-43.20
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2CCC2)=N1	REAL250005023610	0	30	-1.0	-39.55	270.14	-1.54	-41.09
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL250005023611	0	35	-1.0	-38.26	290.86	2.16	-36.10
CC1C(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=CC=C1	REAL250005023612	0	34	-1.0	-36.39	290.89	3.58	-32.81
CC1=CC=CN=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023613	0	29	-1.0	-40.69	264.57	1.22	-39.47
CSC1=CC=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023614	0	28	-1.0	-43.89	270.27	1.86	-42.03
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL250005023615	0	29	-1.0	-33.41	253.88	0.87	-32.54
COC(=O)[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023616	0	36	-1.0	-37.72	301.56	1.94	-35.78
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL250005023617	0	28	-1.0	-35.17	283.11	2.86	-32.31
CCSC1=NC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023618	0	29	-1.0	-40.86	273.06	-0.41	-41.27
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC(F)F)C=C1	REAL250005023619	0	27	-1.0	-46.68	259.96	-0.00	-46.68
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC=CC=C2N=C1	REAL250005023620	0	27	-1.0	-51.18	247.98	-0.76	-51.94
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005023621	0	30	-1.0	-47.55	277.58	2.20	-45.35
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC(F)=CC=C21	REAL250005023622	0	31	-1.0	-42.83	282.19	2.78	-40.05
CC1=NC2=CC=CC=C2C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023623	0	35	-1.0	-39.98	301.88	2.22	-37.76
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL250005023624	0	37	-1.0	-35.99	283.50	0.40	-35.59
CCC1=CSC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023625	0	29	-1.0	-39.01	273.48	0.20	-38.81
CN1N=CC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005023626	0	34	-1.0	-37.55	286.84	1.12	-36.43
CS(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023627	0	32	-1.0	-48.44	297.96	0.32	-48.12
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C[C@@H]1C1=CC=CC(F)=C1	REAL250005023628	0	31	-1.0	-37.90	280.09	3.15	-34.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=CN=C2)=C1	REAL250005023629	0	34	-1.0	-42.81	304.41	4.31	-38.50
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=NC=CN=C2C=C1	REAL250005023630	0	27	-1.0	-46.40	254.44	-1.38	-47.78
CC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2O1	REAL250005023631	0	29	-1.0	-39.46	264.70	-1.29	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2N=N1	REAL250005023632	0	27	-1.0	-46.89	255.38	-0.66	-47.55
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C2O1	REAL250005023633	0	29	-1.0	-44.93	264.31	-1.08	-46.01
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1CO	REAL250005023634	0	31	-1.0	-41.51	270.06	-0.88	-42.39
CN1C=NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL250005023635	0	30	-1.0	-39.83	263.99	2.16	-37.67
COC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005023636	0	26	-1.0	-37.05	256.83	-0.89	-37.94
CC(C)N1C=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023637	0	30	-1.0	-43.29	268.08	1.57	-41.72
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023638	0	28	-1.0	-40.19	263.55	-0.06	-40.25
CC(C(=O)NCC1=NC(=O)O[N-]1)C(C)S(C)(=O)=O	REAL250005023639	0	32	-1.0	-42.72	271.92	-2.51	-45.23
COC1=CC=CN=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023640	0	30	-1.0	-41.55	269.11	-0.75	-42.30
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)OC=C1	REAL250005023641	0	21	-1.0	-36.68	223.53	-0.27	-36.95
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SCCO1	REAL250005023642	0	27	-1.0	-39.53	244.69	-0.01	-39.54
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(O)C=C1	REAL250005023643	0	27	-1.0	-37.77	252.45	-1.95	-39.72
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C1=CC=CC=C1	REAL250005023644	0	36	-1.0	-39.00	296.80	1.59	-37.41
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1Cl	REAL250005023645	0	27	-1.0	-38.36	260.54	2.20	-36.16
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCCC(C2)C1	REAL250005023646	0	37	-1.0	-35.38	278.77	2.57	-32.81
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL250005023647	0	30	-1.0	-37.47	264.27	1.23	-36.24
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=COC=C1	REAL250005023648	0	28	-1.0	-39.78	259.48	-0.82	-40.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2C=C1F	REAL250005023649	0	28	-1.0	-41.48	261.66	-0.43	-41.91
CC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005023650	0	26	-1.0	-35.52	251.31	-0.28	-35.80
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)C2=CC=CC=C21	REAL250005023651	0	30	-1.0	-39.17	270.46	1.87	-37.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)C=N1	REAL250005023652	0	30	-1.0	-41.49	274.40	1.72	-39.77
CC1=CC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023653	0	30	-1.0	-46.82	271.37	1.00	-45.82
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C1CC1	REAL250005023654	1	33	-1.0	-37.28	277.00	-0.12	-37.40
CC1=CC=CC(Cl)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023655	0	30	-1.0	-37.69	276.81	2.68	-35.01
O=C(CC1=NC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005023656	0	26	-1.0	-40.45	246.07	-0.11	-40.56
CN(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CN=CN1C	REAL250005023657	0	35	-1.0	-38.33	296.30	-0.41	-38.74
CCNC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023658	0	32	-1.0	-36.93	289.03	1.56	-35.37
CS(=O)(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023659	0	27	-1.0	-42.86	254.31	-2.84	-45.70
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)C2=CC=CN21	REAL250005023660	0	31	-1.0	-37.26	268.62	1.57	-35.69
CC1(C)COC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005023661	0	35	-1.0	-41.98	296.98	2.93	-39.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=CN=C1Cl	REAL250005023662	0	30	-1.0	-36.40	278.07	1.77	-34.63
O=C(CCC1=CNC(=O)C=C1)NCC1=NC(=O)O[N-]1	REAL250005023663	0	30	-1.0	-43.18	271.75	-0.58	-43.76
NC(=O)C1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023664	0	34	-1.0	-44.28	293.08	-0.72	-45.00
CC1CCC(OCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023665	0	37	-1.0	-38.26	300.97	2.42	-35.84
NC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023666	0	31	-1.0	-42.71	280.29	-1.49	-44.20
O=C(CCOCC(F)F)NCC1=NC(=O)O[N-]1	REAL250005023667	0	27	-1.0	-38.99	254.27	-0.90	-39.89
CC1=CC=CC([N+](=O)[O-])=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023668	0	29	-1.0	-47.50	269.17	2.36	-45.14
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1CCOCC1	REAL250005023669	0	36	-1.0	-36.84	281.39	-1.80	-38.64
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CCC(O)CC1	REAL250005023670	0	40	-1.0	-36.53	301.55	-0.39	-36.92
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=C(O)C=CC=C21	REAL250005023671	0	35	-1.0	-38.73	292.64	0.74	-37.99
COCCOC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023672	0	41	-1.0	-37.32	334.84	0.53	-36.79
O=C(NCC1=NC(=O)O[N-]1)C(F)CC1CCCCC1	REAL250005023673	0	36	-1.0	-34.97	292.08	2.68	-32.29
CC1=C(C(C)C)N=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023674	0	35	-1.0	-39.57	313.12	1.47	-38.10
O=C(CC1=CC2=CNN=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005023675	0	30	-1.0	-43.34	272.01	0.44	-42.90
CC1C(=O)CCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023676	0	32	-1.0	-37.09	272.57	1.06	-36.03
COC1CCCC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023677	0	37	-1.0	-35.92	298.04	1.00	-34.92
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=C(F)C=C21	REAL250005023678	0	28	-1.0	-38.12	257.36	2.37	-35.75
CC1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N1C	REAL250005023679	0	33	-1.0	-42.00	289.65	2.20	-39.80
CC(C)(C#N)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023680	0	34	-1.0	-39.79	297.67	3.00	-36.79
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005023681	0	42	-1.0	-34.64	308.33	3.34	-31.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(=O)O1	REAL250005023682	0	29	-1.0	-44.34	271.44	2.37	-41.97
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)SC=N1	REAL250005023683	0	23	-1.0	-40.86	242.16	-0.74	-41.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C=CCCC2=C1	REAL250005023684	0	32	-1.0	-37.70	276.24	3.42	-34.28
CC(C)CC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023685	0	36	-1.0	-37.19	295.24	3.68	-33.51
N#CC1=CC=C(CC(C#N)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023686	0	32	-1.0	-41.57	305.69	3.04	-38.53
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2CCCCC2)C=C1	REAL250005023687	0	37	-1.0	-41.72	308.38	2.06	-39.66
O=C(CCSCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005023688	0	34	-1.0	-36.49	311.84	3.90	-32.59
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(O)=C1F	REAL250005023689	0	25	-1.0	-42.93	248.23	-1.85	-44.78
O=C(C[C@@H]1CCCC[C@H]1O)NCC1=NC(=O)O[N-]1	REAL250005023690	0	34	-1.0	-37.62	275.47	-1.28	-38.90
O=C(C[C@H]1CCCC[C@@H]1O)NCC1=NC(=O)O[N-]1	REAL250005023691	0	34	-1.0	-37.57	275.46	-1.28	-38.85
O=C(NCC1=NC(=O)O[N-]1)C(F)=CC1CCCCC1	REAL250005023692	0	34	-1.0	-35.38	287.01	2.68	-32.70
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C=O	REAL250005023693	0	32	-1.0	-36.31	276.56	2.15	-34.16
CCCOC1=NC(C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023694	0	36	-1.0	-40.11	311.10	1.36	-38.75
CCOC1=NC(C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023695	0	33	-1.0	-40.19	289.60	0.56	-39.63
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC=C1Br	REAL250005023696	0	23	-1.0	-40.69	234.63	-0.04	-40.73
O=C(CC1=CC=CC(C(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL250005023697	0	30	-1.0	-40.34	279.92	2.66	-37.68
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CN=C2)=NO1	REAL250005023698	0	31	-1.0	-42.22	284.04	0.68	-41.54
CC(C)(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005023699	0	32	-1.0	-42.42	282.38	-0.68	-43.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=NN1	REAL250005023700	0	21	-1.0	-33.72	224.66	-1.98	-35.70
CC(C)N1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023701	1	36	-1.0	-37.07	290.56	-1.16	-38.23
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)C=C1Cl	REAL250005023702	0	30	-1.0	-34.47	272.61	2.83	-31.64
N#CCC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005023703	0	34	-1.0	-39.35	300.48	3.36	-35.99
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(Cl)C=C21	REAL250005023704	0	29	-1.0	-37.61	276.25	1.25	-36.36
COC1=CC(C)=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023705	0	30	-1.0	-44.48	267.29	0.54	-43.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1C1=CC=CC=C1	REAL250005023706	0	31	-1.0	-34.81	274.24	3.27	-31.54
CN1C=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023707	0	32	-1.0	-41.11	292.38	0.22	-40.89
CS(=O)(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005023708	0	30	-1.0	-41.43	268.89	-2.50	-43.93
O=C(NCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)C1	REAL250005023709	0	32	-1.0	-37.17	278.90	-1.29	-38.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CO)C(F)=C1	REAL250005023710	0	28	-1.0	-37.39	257.62	-1.40	-38.79
CCSCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023711	0	34	-1.0	-38.45	301.59	3.81	-34.64
O=C(CCC1=CC2=CC=CC=C2N=C1)NCC1=NC(=O)O[N-]1	REAL250005023712	0	35	-1.0	-39.64	308.33	2.89	-36.75
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Cl)S1	REAL250005023713	0	20	-1.0	-35.02	225.54	-1.27	-36.29
CC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005023714	0	31	-1.0	-39.80	281.87	0.07	-39.73
O=C(C=CC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023715	0	30	-1.0	-37.85	284.06	2.23	-35.62
N#CC(CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023716	0	34	-1.0	-39.62	306.75	3.47	-36.15
CC(C)(C)OC(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023717	0	35	-1.0	-37.04	296.11	1.57	-35.47
CCOC(=O)C1(CC(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005023718	0	36	-1.0	-41.45	304.41	2.16	-39.29
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(F)C=C1F	REAL250005023719	0	23	-1.0	-37.81	229.30	-0.51	-38.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(O)=CC=C1Cl	REAL250005023721	0	25	-1.0	-38.68	244.66	-1.29	-39.97
COC(=CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023722	0	32	-1.0	-36.77	280.52	2.30	-34.47
NC(=O)C1=CC=CC=C1NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023723	0	33	-1.0	-44.72	287.86	-2.81	-47.53
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023724	0	30	-1.0	-37.16	276.60	2.28	-34.88
COC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023725	0	26	-1.0	-36.09	245.38	-3.99	-40.08
CCOC1=NC=CC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023726	0	33	-1.0	-41.59	293.22	-0.86	-42.45
CC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005023727	0	30	-1.0	-38.15	278.71	2.75	-35.40
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2CCCCN12	REAL250005023728	0	31	-1.0	-37.00	262.11	1.24	-35.76
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005023729	0	27	-1.0	-37.58	255.05	2.23	-35.35
CCN1N=NC2=C1CCC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005023730	0	36	-1.0	-43.90	303.52	0.62	-43.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N=C1	REAL250005023731	0	29	-1.0	-39.45	262.44	1.43	-38.02
O=C(NCC1=NC(=O)O[N-]1)C1CCCS(=O)(=O)C1	REAL250005023732	0	30	-1.0	-42.87	265.42	-2.60	-45.47
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)OC=N1	REAL250005023733	0	23	-1.0	-39.34	234.51	-3.11	-42.45
CN1C=CC=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023734	0	27	-1.0	-39.85	245.90	0.34	-39.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OC(=O)NC2=C1	REAL250005023735	0	27	-1.0	-37.23	252.88	-1.45	-38.68
CCOC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005023736	0	34	-1.0	-37.73	272.63	1.51	-36.22
NC(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL250005023737	0	28	-1.0	-44.68	260.56	-3.33	-48.01
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=CN=C1	REAL250005023738	0	27	-1.0	-37.19	248.78	-2.01	-39.20
CC(OC1=CC=C(C=O)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023739	0	33	-1.0	-41.72	294.40	1.97	-39.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OC(=O)NC2=N1	REAL250005023740	0	26	-1.0	-39.70	250.00	-2.13	-41.83
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023741	0	36	-1.0	-37.91	292.04	-0.47	-38.38
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCOCC2=CO1	REAL250005023742	0	29	-1.0	-39.50	257.30	-0.91	-40.41
CC1=CN=C(COCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005023743	0	30	-1.0	-44.32	277.64	-2.35	-46.67
COCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023744	0	27	-1.0	-37.12	263.89	-2.06	-39.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)S1	REAL250005023745	0	24	-1.0	-34.81	253.67	1.22	-33.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C(C)C)O1	REAL250005023746	0	32	-1.0	-39.69	284.01	-1.41	-41.10
CC(C)(C)CCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023747	0	38	-1.0	-35.59	305.46	2.76	-32.83
O=C(COC1=CC=C(CO)C=C1)NCC1=NC(=O)O[N-]1	REAL250005023748	0	32	-1.0	-40.75	287.48	-1.05	-41.80
O=C(NCC1=NC(=O)O[N-]1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL250005023749	0	31	-1.0	-40.34	268.99	-7.16	-47.50
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CN=C1F	REAL250005023750	0	23	-1.0	-41.23	232.36	-0.88	-42.11
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=CS1	REAL250005023751	0	23	-1.0	-37.83	242.37	-0.73	-38.56
NS(=O)(=O)CCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023752	0	34	-1.0	-47.24	307.10	-3.93	-51.17
CN(C)S(=O)(=O)N(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023753	0	33	-1.0	-38.60	293.60	-3.42	-42.02
CCCC(C(=O)NCC1=NC(=O)O[N-]1)S(N)(=O)=O	REAL250005023754	0	31	-1.0	-40.15	274.74	-4.59	-44.74
CN1C=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C21	REAL250005023755	0	29	-1.0	-42.60	266.62	1.62	-40.98
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC=NC2=C1	REAL250005023756	0	26	-1.0	-45.50	247.26	-0.16	-45.66
CS(=O)(=O)C1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023757	0	28	-1.0	-48.55	276.26	-4.23	-52.78
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(CC(F)F)C1	REAL250005023758	0	35	-1.0	-39.31	284.78	-0.67	-39.98
CC1=CC=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005023759	0	32	-1.0	-39.39	280.16	1.98	-37.41
O=C(C=CC1=CC=C(F)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005023760	0	28	-1.0	-38.37	268.36	2.36	-36.01
CCC1=CC=CC=C1OCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023761	0	37	-1.0	-36.83	317.32	2.86	-33.97
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1OC	REAL250005023762	0	35	-1.0	-37.37	298.27	1.12	-36.25
CC1=NC=C2CCC(C(=O)NCC3=NC(=O)O[N-]3)CN21	REAL250005023763	0	34	-1.0	-37.37	285.53	1.73	-35.64
CC1=NN=C(COCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023764	0	29	-1.0	-44.77	281.42	-1.10	-45.87
COC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL250005023765	0	35	-1.0	-41.75	301.38	2.07	-39.68
CCC1=CC=C2OC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL250005023766	0	33	-1.0	-39.45	292.70	2.81	-36.64
CC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1O	REAL250005023767	0	30	-1.0	-40.01	271.15	0.06	-39.95
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC=CN=C21	REAL250005023768	0	30	-1.0	-42.18	262.05	1.13	-41.05
CC(C)(C)OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023769	0	36	-1.0	-37.56	297.07	0.69	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=NN1	REAL250005023770	0	23	-1.0	-34.28	233.44	-0.80	-35.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C(C)C)O1	REAL250005023772	0	33	-1.0	-36.79	286.96	2.07	-34.72
O=C(NCC1=NC(=O)O[N-]1)C(CO)C1=CC=C(Cl)C=C1	REAL250005023773	0	31	-1.0	-36.12	289.17	-0.52	-36.64
CC(C)OC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023774	0	33	-1.0	-40.56	288.14	0.87	-39.69
CC1=CSC(C(C)C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023775	0	29	-1.0	-37.28	269.78	0.03	-37.25
N#CC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023776	0	25	-1.0	-39.50	254.46	1.95	-37.55
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2CCCCC21	REAL250005023777	0	40	-1.0	-35.61	297.55	3.41	-32.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=NN1	REAL250005023778	0	24	-1.0	-33.54	244.13	-1.52	-35.06
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN1	REAL250005023779	0	31	-1.0	-40.55	268.06	0.80	-39.75
O=C(NCC1=NC(=O)O[N-]1)C(C1CCC1)C1CCC1	REAL250005023780	0	37	-1.0	-36.15	293.02	3.31	-32.84
COC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005023781	0	34	-1.0	-41.03	301.91	1.88	-39.15
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250005023782	0	31	-1.0	-36.85	273.66	3.08	-33.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1F	REAL250005023783	0	26	-1.0	-41.14	253.86	1.79	-39.35
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C(Cl)=NS1	REAL250005023784	0	20	-1.0	-32.70	238.93	-0.42	-33.12
O=C(CC1=CC=C2N=CSC2=C1)NCC1=NC(=O)O[N-]1	REAL250005023785	0	29	-1.0	-40.12	276.90	1.11	-39.01
CNC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005023786	0	30	-1.0	-40.95	279.60	0.93	-40.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CS1	REAL250005023787	0	21	-1.0	-37.06	226.98	0.56	-36.50
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=CN1C1CC1	REAL250005023788	0	34	-1.0	-56.04	291.01	2.40	-53.64
COC(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL250005023789	0	30	-1.0	-41.80	278.34	0.63	-41.17
CN(C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023790	1	34	-1.0	-37.68	292.84	-1.04	-38.72
O=C(CC1=COC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005023791	0	30	-1.0	-40.56	273.67	2.09	-38.47
CN1N=CC=C1COCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023792	0	31	-1.0	-42.87	281.06	-0.20	-43.07
CC1=CC2=C(C)C=CN=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023793	0	35	-1.0	-45.02	299.49	3.07	-41.95
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)C2=CC=CC=C21	REAL250005023794	0	33	-1.0	-38.11	285.08	2.61	-35.50
CC1=CSC(CCCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023795	0	32	-1.0	-39.69	295.23	1.02	-38.67
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=NC=C2C=C1	REAL250005023796	1	27	-1.0	-37.21	248.07	2.46	-34.75
O=C(NCC1=NC(=O)O[N-]1)C12C3C(=O)C4C1C1CC4C3C12	REAL250005023797	0	33	-1.0	-42.21	275.93	2.12	-40.09
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005023798	0	32	-1.0	-35.10	258.10	-2.16	-37.26
COCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=N1	REAL250005023799	0	27	-1.0	-38.25	258.95	-2.16	-40.41
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)OC=C1	REAL250005023800	0	30	-1.0	-38.80	264.15	1.07	-37.73
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1CC1	REAL250005023801	0	33	-1.0	-47.51	290.26	-1.33	-48.84
O=C(NCC1=NC(=O)O[N-]1)C1(O)CCC2=CC=CC=C2C1	REAL250005023802	0	35	-1.0	-36.12	293.00	0.46	-35.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC(CC2=CC=CC=C2)=NN1	REAL250005023803	0	34	-1.0	-36.69	306.22	1.85	-34.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=NNN=C21	REAL250005023804	0	25	-1.0	-41.23	237.00	-2.29	-43.52
CC(C)(C)C(NC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023805	0	35	-1.0	-37.65	284.39	-3.47	-41.12
CC(C)C1=NN=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023806	0	28	-1.0	-39.59	268.57	-0.84	-40.43
O=C(CCCC1=NC=CS1)NCC1=NC(=O)O[N-]1	REAL250005023807	0	29	-1.0	-39.39	273.43	0.43	-38.96
CCC(C(=O)NCC1=NC(=O)O[N-]1)N1CCOC(CC)C1	REAL250005023808	0	42	-1.0	-36.38	326.08	-0.52	-36.90
COC(=O)N[C@@H](CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023809	0	37	-1.0	-35.34	303.39	-1.57	-36.91
CC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1(Cl)Cl	REAL250005023810	0	27	-1.0	-37.52	266.95	1.75	-35.77
COCC1=NN(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023811	0	31	-1.0	-40.43	277.92	-1.55	-41.98
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005023812	0	24	-1.0	-38.36	242.75	-0.82	-39.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=NC=C2S1	REAL250005023813	0	26	-1.0	-37.12	255.00	0.68	-36.44
CC1(C=CC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005023814	0	35	-1.0	-36.74	283.36	0.39	-36.35
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN=C1F	REAL250005023815	0	26	-1.0	-36.00	242.87	-0.16	-36.16
N#CC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023816	0	25	-1.0	-40.98	246.51	1.52	-39.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=CN=CO2)=C1	REAL250005023817	0	30	-1.0	-41.33	275.68	-0.54	-41.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2OCCO2)C=C1	REAL250005023818	0	33	-1.0	-38.77	288.56	0.68	-38.09
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C2=CC=CC=C2C=N1	REAL250005023819	0	30	-1.0	-43.99	272.45	0.21	-43.78
CN1C=C(C=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023820	0	27	-1.0	-47.05	250.39	0.22	-46.83
CN1C(C=O)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023821	0	27	-1.0	-39.75	246.23	0.06	-39.69
CCC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005023822	0	32	-1.0	-40.87	282.12	1.52	-39.35
CC1=CNC(CC(N)=O)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023823	0	32	-1.0	-47.89	291.45	-3.17	-51.06
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC=C1C(N)=O	REAL250005023824	0	30	-1.0	-40.06	269.32	-3.22	-43.28
CC1CC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2O1	REAL250005023825	0	32	-1.0	-42.63	277.23	2.57	-40.06
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(C)C)=N1	REAL250005023826	0	35	-1.0	-36.18	292.49	2.04	-34.14
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CC2)N=N1	REAL250005023827	0	30	-1.0	-43.10	275.12	-0.21	-43.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CN=C2S1	REAL250005023828	0	26	-1.0	-41.51	255.00	0.56	-40.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=NC=C2C=C1	REAL250005023829	0	29	-1.0	-37.61	262.10	1.54	-36.07
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C1CCC2	REAL250005023830	0	34	-1.0	-38.42	283.21	3.51	-34.91
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C(C)C	REAL250005023831	0	33	-1.0	-43.08	288.27	0.85	-42.23
CN1N=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023832	0	29	-1.0	-39.24	264.01	-1.30	-40.54
CCC(CC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023833	0	29	-1.0	-34.10	254.29	0.85	-33.25
CC1=NN=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023834	0	25	-1.0	-41.60	246.94	-1.50	-43.10
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL250005023835	0	31	-1.0	-38.72	287.93	3.49	-35.23
CC1=CC=C(F)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023836	0	30	-1.0	-39.09	272.58	2.43	-36.66
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005023837	0	37	-1.0	-36.72	285.01	3.13	-33.59
CC1=CN=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023838	0	32	-1.0	-37.64	283.44	1.39	-36.25
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(C(C)C)=N1	REAL250005023839	0	32	-1.0	-36.84	282.40	-1.53	-38.37
CC(F)(F)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023840	0	30	-1.0	-36.20	274.30	2.58	-33.62
CC(C)CC(CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023841	0	41	-1.0	-36.09	315.93	3.78	-32.31
O=C(CC1COC2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL250005023842	0	33	-1.0	-42.12	288.96	1.66	-40.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC(F)F)=C1	REAL250005023843	0	27	-1.0	-38.42	259.61	-1.52	-39.94
O=C(CCCC(=O)C1CC1)NCC1=NC(=O)O[N-]1	REAL250005023844	0	32	-1.0	-42.79	283.05	1.81	-40.98
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCSCC2	REAL250005023845	0	32	-1.0	-35.74	271.92	2.33	-33.41
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=N1	REAL250005023846	0	29	-1.0	-36.53	266.64	0.14	-36.39
CC1=NC2=CC=NN2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023847	0	29	-1.0	-37.48	259.91	0.62	-36.86
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC=C1Cl	REAL250005023848	0	31	-1.0	-38.75	287.91	3.49	-35.26
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2NC=CC2=C1	REAL250005023849	0	27	-1.0	-40.87	247.49	0.33	-40.54
O=C(NCC1=NC(=O)O[N-]1)C1(C(=O)C2CC2)CC1	REAL250005023850	0	30	-1.0	-38.14	273.13	1.49	-36.65
CC(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005023851	0	28	-1.0	-43.35	265.77	-1.74	-45.09
COC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL250005023852	0	31	-1.0	-38.18	291.29	1.58	-36.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)N1	REAL250005023853	0	32	-1.0	-37.06	271.76	1.26	-35.80
O=C(CCC1CCC(=O)N1)NCC1=NC(=O)O[N-]1	REAL250005023854	0	31	-1.0	-42.48	269.47	-1.80	-44.28
O=C(CC1=CC=C(O)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005023855	0	28	-1.0	-39.78	263.00	-1.05	-40.83
CN1N=C(C(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023856	0	27	-1.0	-34.43	262.81	-0.22	-34.65
O=C(NCC1=NC(=O)O[N-]1)C1CCCCC1(F)F	REAL250005023857	0	30	-1.0	-39.15	255.74	1.41	-37.74
CC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1C	REAL250005023858	0	36	-1.0	-35.28	277.92	2.16	-33.12
CC1=CC(F)=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005023859	0	30	-1.0	-37.73	277.88	2.48	-35.25
COC1COCCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023860	0	35	-1.0	-36.17	288.28	-1.32	-37.49
CCCC1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023861	0	36	-1.0	-35.81	292.38	2.68	-33.13
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005023862	0	24	-1.0	-37.41	239.90	-0.83	-38.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N1	REAL250005023863	0	25	-1.0	-34.62	249.35	-0.22	-34.84
CCOC1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023864	0	27	-1.0	-35.27	254.65	-2.57	-37.84
CC(C)(CCC(=O)NCC1=NC(=O)O[N-]1)[N+](=O)[O-]	REAL250005023865	0	31	-1.0	-39.77	268.78	0.76	-39.01
CC(C)(C)C(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023866	0	37	-1.0	-42.50	309.31	2.04	-40.46
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NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005023869	0	26	-1.0	-37.14	245.61	-4.43	-41.57
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CNC2=CC=N1	REAL250005023870	0	27	-1.0	-45.48	247.53	-0.63	-46.11
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL250005023871	0	33	-1.0	-40.17	291.61	2.89	-37.28
CC(OCCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023872	0	37	-1.0	-38.01	321.52	3.59	-34.42
N#CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005023873	0	22	-1.0	-36.38	233.07	0.50	-35.88
C=CCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023874	0	35	-1.0	-38.38	310.01	2.54	-35.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCCC2	REAL250005023875	0	34	-1.0	-37.65	278.07	3.54	-34.11
COC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023876	0	34	-1.0	-37.17	291.10	2.30	-34.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL250005023877	0	27	-1.0	-34.26	260.69	0.15	-34.11
CCOC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023878	0	34	-1.0	-37.12	304.64	0.94	-36.18
CC(=O)NC[C@H](CC(=O)NCC1=NC(=O)O[N-]1)CC(C)C	REAL250005023879	0	42	-1.0	-40.43	334.41	1.30	-39.13
CCOCC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023880	0	33	-1.0	-37.14	302.76	-0.47	-37.61
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1C(=O)CCC2	REAL250005023881	0	30	-1.0	-48.19	266.45	2.21	-45.98
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2)C1	REAL250005023882	0	36	-1.0	-37.50	299.81	1.37	-36.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1CC(F)(F)F	REAL250005023883	0	27	-1.0	-36.31	261.45	0.07	-36.24
COC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023884	0	33	-1.0	-39.93	300.56	2.40	-37.53
COC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1O	REAL250005023885	0	32	-1.0	-40.32	286.01	-1.14	-41.46
CC(OCC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023886	0	34	-1.0	-38.96	306.42	2.88	-36.08
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CC12CCCC2	REAL250005023887	0	32	-1.0	-38.63	275.95	2.14	-36.49
C[Si](C)(C)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005023888	0	35	-1.0	-37.09	300.70	4.14	-32.95
CN1C=C(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023889	0	29	-1.0	-41.85	272.27	0.18	-41.67
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NC=CN2C1	REAL250005023890	0	31	-1.0	-37.26	265.81	1.18	-36.08
N#CC1=C(F)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005023891	0	25	-1.0	-34.45	253.69	1.50	-32.95
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023892	0	31	-1.0	-40.10	276.82	2.27	-37.83
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC(O)CO)N=C1	REAL250005023893	0	32	-1.0	-46.78	291.36	-5.97	-52.75
O=C(NCC1=NC(=O)O[N-]1)C1CCCC1C1=CC=CC=C1	REAL250005023894	0	37	-1.0	-36.77	305.43	4.18	-32.59
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023895	0	37	-1.0	-36.34	303.53	-0.88	-37.22
CC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL250005023896	0	36	-1.0	-37.04	289.56	-0.18	-37.22
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCC1	REAL250005023897	0	27	-1.0	-36.27	244.55	1.03	-35.24
CC1=NSC(NC2CC2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023898	0	32	-1.0	-37.02	297.72	-0.24	-37.26
CCN1N=C(C)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005023899	0	36	-1.0	-41.02	309.45	1.38	-39.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(F)=C2N=C1	REAL250005023900	0	29	-1.0	-41.74	268.67	1.51	-40.23
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL250005023901	0	30	-1.0	-40.92	266.02	-0.07	-40.99
CC1=NN(C(C)C)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023902	0	39	-1.0	-41.08	329.20	2.04	-39.04
O=C(NCC1=NC(=O)O[N-]1)C1=C2OCCCN2N=C1	REAL250005023903	0	29	-1.0	-43.24	257.80	-1.78	-45.02
CC1=CC(C#N)=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023904	0	27	-1.0	-38.33	255.21	0.40	-37.93
CC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005023905	0	31	-1.0	-36.81	282.35	2.94	-33.87
COC1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023906	0	34	-1.0	-36.34	277.29	0.44	-35.90
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC1Br	REAL250005023907	0	24	-1.0	-34.41	234.21	0.76	-33.65
CCOC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023908	0	28	-1.0	-34.82	258.36	-3.73	-38.55
CN(C)C1=CC(C#N)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023909	0	33	-1.0	-39.00	293.01	1.81	-37.19
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CN=CN2C1	REAL250005023910	0	31	-1.0	-37.44	265.64	1.90	-35.54
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2C1	REAL250005023912	0	31	-1.0	-36.24	268.08	2.78	-33.46
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CC2)=NO1	REAL250005023913	0	30	-1.0	-36.88	275.98	1.46	-35.42
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN2C=CN=C12	REAL250005023914	0	26	-1.0	-48.31	244.95	0.05	-48.26
CC(C)(C)N1C=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023915	0	32	-1.0	-44.53	281.48	1.33	-43.20
CCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005023916	0	29	-1.0	-38.82	264.75	0.70	-38.12
COC(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005023917	0	30	-1.0	-40.49	284.86	1.53	-38.96
NC1=NC(Cl)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023918	0	25	-1.0	-34.00	243.36	-1.20	-35.20
CCC1=CC=C(C#CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023919	0	32	-1.0	-37.62	295.78	3.83	-33.79
N#CC1=CSC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023920	0	22	-1.0	-42.74	230.54	0.27	-42.47
CC(C)(C)C1=NNC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023921	0	33	-1.0	-36.47	272.18	-0.15	-36.62
CC1=NC(C(C)C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023922	0	35	-1.0	-35.76	292.56	1.76	-34.00
CCC1=NC(C(C)C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023923	0	38	-1.0	-35.65	311.15	2.46	-33.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL250005023924	0	26	-1.0	-39.05	257.56	2.09	-36.96
CN(CC=CC(=O)NCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL250005023925	0	32	-1.0	-39.12	290.57	-0.45	-39.57
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL250005023926	0	33	-1.0	-37.99	287.71	0.93	-37.06
NS(=O)(=O)C1=NNC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023927	0	26	-1.0	-45.00	252.16	-6.45	-51.45
CC(C)(C)CCC1(O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023928	0	43	-1.0	-37.37	337.14	0.58	-36.79
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=CO1	REAL250005023929	0	30	-1.0	-40.12	275.22	-0.71	-40.83
CCOC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005023930	0	32	-1.0	-38.18	295.15	0.90	-37.28
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(CN2CCCC2)=C1	REAL250005023931	0	35	-1.0	-38.93	302.21	-0.96	-39.89
CN1C=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005023932	0	30	-1.0	-43.41	269.42	2.38	-41.03
CC(O)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL250005023933	0	31	-1.0	-35.73	285.44	-0.22	-35.95
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=NC=C1Cl	REAL250005023934	0	23	-1.0	-36.13	251.58	-0.00	-36.13
COC1=CC(Cl)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023935	0	28	-1.0	-36.54	267.33	0.87	-35.67
C#CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023936	0	33	-1.0	-37.35	299.67	2.61	-34.74
CCN1N=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023937	0	29	-1.0	-38.49	262.10	-1.40	-39.89
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)SC(Cl)=N1	REAL250005023938	0	20	-1.0	-37.20	239.39	-0.76	-37.96
O=C(CC1=CN=CC(O)=C1)NCC1=NC(=O)O[N-]1	REAL250005023939	0	27	-1.0	-40.08	251.63	-2.92	-43.00
O=C(CCN1C(=O)CCNC1=S)NCC1=NC(=O)O[N-]1	REAL250005023940	0	32	-1.0	-49.16	292.71	-0.07	-49.23
CN1C=NN(CCC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005023941	0	30	-1.0	-45.94	275.38	0.70	-45.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2=NC=CN2)=C1	REAL250005023942	0	30	-1.0	-41.05	276.92	-0.27	-41.32
O=C(CN1N=NC2=C1CCCC2)NCC1=NC(=O)O[N-]1	REAL250005023943	0	33	-1.0	-43.27	283.75	0.17	-43.10
NS(=O)(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023944	0	26	-1.0	-42.96	248.68	-5.31	-48.27
CC1=NC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023945	0	31	-1.0	-38.60	278.15	0.52	-38.08
O=C(CCN1C=NC=CC1=O)NCC1=NC(=O)O[N-]1	REAL250005023946	0	29	-1.0	-43.92	265.94	0.52	-43.40
CC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005023947	0	26	-1.0	-41.25	255.07	0.55	-40.70
O=C(CC1CCCS(=O)(=O)C1)NCC1=NC(=O)O[N-]1	REAL250005023948	0	33	-1.0	-44.38	284.41	-1.98	-46.36
COC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005023949	0	26	-1.0	-41.07	243.68	-2.19	-43.26
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCC1CC2	REAL250005023950	0	34	-1.0	-35.52	263.90	2.17	-33.35
COCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023951	0	28	-1.0	-40.12	259.05	-2.51	-42.63
CC(OCC1=CC=NC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023952	0	33	-1.0	-40.14	294.89	1.05	-39.09
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN1C(C)C	REAL250005023953	0	34	-1.0	-40.42	287.26	2.54	-37.88
O=C(CC1=CNC2=CN=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005023954	0	30	-1.0	-41.84	272.38	0.03	-41.81
NC(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023955	0	34	-1.0	-42.09	301.69	-0.68	-42.77
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC=C1Cl	REAL250005023956	0	23	-1.0	-41.09	230.89	-0.15	-41.24
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCNC2=N1	REAL250005023957	0	29	-1.0	-45.32	259.02	0.02	-45.30
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)OC=N1	REAL250005023958	0	27	-1.0	-40.91	249.91	-1.97	-42.88
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC=CC(O)=C21	REAL250005023959	0	32	-1.0	-39.31	277.21	0.13	-39.18
CN1C=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005023960	0	30	-1.0	-40.48	269.97	0.23	-40.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)CCCC2=C1	REAL250005023961	0	33	-1.0	-39.83	285.96	2.65	-37.18
COC1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023962	0	34	-1.0	-36.95	275.88	1.43	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1Cl	REAL250005023963	0	24	-1.0	-36.93	240.06	1.63	-35.30
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=NC=C2)N=C1	REAL250005023964	0	30	-1.0	-39.19	277.25	0.46	-38.73
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(CN2C=CC=N2)=C1	REAL250005023965	0	30	-1.0	-44.43	284.14	0.16	-44.27
CC(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005023966	0	29	-1.0	-42.21	262.54	-1.25	-43.46
CC1=CC=C2SN=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL250005023967	0	29	-1.0	-40.98	273.17	1.71	-39.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CN=CC=C2O1	REAL250005023968	0	26	-1.0	-38.08	247.16	-0.29	-38.37
O=C(CCC1=CN=CS1)NCC1=NC(=O)O[N-]1	REAL250005023969	0	26	-1.0	-37.04	251.90	-0.24	-37.28
CC1=CC=CC(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023970	0	27	-1.0	-39.35	260.13	1.86	-37.49
COC1=CC=CC(OCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005023971	0	35	-1.0	-38.16	305.11	0.66	-37.50
CC1=NC(C2CC2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023972	0	33	-1.0	-35.96	282.19	1.96	-34.00
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=NNN=C21	REAL250005023973	0	30	-1.0	-40.23	258.06	-1.43	-41.66
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=C1NN=N2	REAL250005023973	1	30	-1.0	-38.38	255.47	-1.21	-39.59
CC(C)(C)OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005023974	0	36	-1.0	-38.85	298.75	0.31	-38.54
CCC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005023975	0	29	-1.0	-37.11	261.58	-2.13	-39.24
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(C(F)(F)F)=C1	REAL250005023976	0	25	-1.0	-37.13	249.28	-0.09	-37.22
O=C(NCC1=NC(=O)O[N-]1)C1(Br)CC1	REAL250005023977	0	21	-1.0	-35.84	216.01	0.17	-35.67
O=C(CC1=CC=NC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005023978	0	26	-1.0	-39.20	247.06	-0.10	-39.30
CC1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C=C1	REAL250005023979	0	32	-1.0	-42.29	285.94	2.14	-40.15
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N1C	REAL250005023980	0	31	-1.0	-36.85	278.20	1.02	-35.83
CCS(=O)(=O)NC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023981	0	31	-1.0	-39.84	281.47	-4.22	-44.06
COCC1=NOC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023983	0	27	-1.0	-37.38	252.22	-1.87	-39.25
O=C(CC1=CC=CC(Cl)=C1F)NCC1=NC(=O)O[N-]1	REAL250005023984	0	27	-1.0	-39.52	267.39	2.26	-37.26
COC(=O)CC(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023985	0	32	-1.0	-41.33	275.32	0.76	-40.57
CC(C)OC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005023986	0	37	-1.0	-37.35	315.80	3.37	-33.98
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)N=CO1	REAL250005023987	0	27	-1.0	-38.33	249.68	-1.98	-40.31
CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005023988	0	30	-1.0	-36.12	279.26	2.42	-33.70
CC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005023989	0	27	-1.0	-41.63	253.78	-0.75	-42.38
O=C(CC1CCCC(=O)N1)NCC1=NC(=O)O[N-]1	REAL250005023990	0	31	-1.0	-42.67	263.53	-1.61	-44.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCC2)C=C1	REAL250005023991	0	37	-1.0	-36.52	304.61	4.22	-32.30
CC1=CC=C2SC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL250005023992	0	30	-1.0	-38.53	281.58	3.12	-35.41
O=C(CCCC1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005023993	0	33	-1.0	-38.29	301.33	3.69	-34.60
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCOC2=C1	REAL250005023994	0	26	-1.0	-41.95	241.49	-3.22	-45.17
O=C(COC1=CC(F)=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005023995	0	28	-1.0	-36.77	267.49	1.75	-35.02
COC(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=CO1	REAL250005023996	0	33	-1.0	-42.90	305.19	1.25	-41.65
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CN=C2)CCCC1	REAL250005023997	0	36	-1.0	-37.15	295.56	2.48	-34.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CCCC2)C=C1	REAL250005023998	0	35	-1.0	-36.39	301.81	4.38	-32.01
C#CC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005023999	0	29	-1.0	-39.20	270.91	2.80	-36.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NON=C2C=C1	REAL250005024000	0	25	-1.0	-34.10	236.34	-0.12	-34.22
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC(=O)NC(=O)N1	REAL250005024001	0	26	-1.0	-43.94	241.41	-5.52	-49.46
O=C(NCC1=NC(=O)O[N-]1)C1=CON=C1C(F)(F)F	REAL250005024002	0	23	-1.0	-36.53	237.75	-0.52	-37.05
CN(C)C1=NC(N)=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024003	0	31	-1.0	-40.63	281.30	1.69	-38.94
O=C(C=CCN1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005024004	0	34	-1.0	-37.48	288.91	-2.12	-39.60
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NN=CN2C1	REAL250005024005	0	30	-1.0	-39.77	260.35	1.86	-37.91
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005024006	0	35	-1.0	-37.68	280.35	-1.01	-38.69
CSCC1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024007	0	30	-1.0	-42.02	277.29	1.20	-40.82
O=C(NCC1=NC(=O)O[N-]1)C1CCCCCC(=O)C1	REAL250005024008	0	35	-1.0	-38.87	274.39	1.40	-37.47
CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005024009	0	32	-1.0	-39.69	278.74	1.21	-38.48
CN(C)S(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024010	0	30	-1.0	-40.60	276.12	-5.33	-45.93
C=CC(=O)N(CC)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024011	0	31	-1.0	-43.78	271.53	0.22	-43.56
O=C(CC1=CN=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005024012	0	26	-1.0	-37.98	255.11	0.37	-37.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CC1	REAL250005024013	0	32	-1.0	-42.38	279.49	3.28	-39.10
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2NC(=O)NC2=C1	REAL250005024014	0	27	-1.0	-37.56	251.80	-2.92	-40.48
CCOC(=O)C(C)(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024015	0	35	-1.0	-36.03	294.46	1.56	-34.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C(F)(F)F)=C1	REAL250005024016	0	26	-1.0	-34.86	256.81	0.40	-34.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1NC(=O)N2	REAL250005024017	0	28	-1.0	-41.09	254.62	-1.94	-43.03
CS(=O)(=O)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024018	0	28	-1.0	-46.73	274.98	-5.17	-51.90
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(CO)=NO1	REAL250005024019	0	27	-1.0	-39.30	255.87	-3.49	-42.79
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)N=CS1	REAL250005024020	0	29	-1.0	-40.47	266.19	0.19	-40.28
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CCOCC2)N=N1	REAL250005024021	0	34	-1.0	-41.59	294.91	-1.79	-43.38
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2)N1	REAL250005024022	0	31	-1.0	-36.77	282.89	1.50	-35.27
CC1=NSC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024023	0	26	-1.0	-35.82	251.18	-0.16	-35.98
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC(=O)C1	REAL250005024024	0	33	-1.0	-39.18	291.30	2.40	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=NO1	REAL250005024025	0	23	-1.0	-33.74	241.28	-0.54	-34.28
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CN=CC=C2S1	REAL250005024026	0	25	-1.0	-38.74	251.27	-1.19	-39.93
CCOC(=O)C(CC(=O)NCC1=NC(=O)O[N-]1)C(C)=O	REAL250005024027	0	34	-1.0	-45.33	304.05	1.30	-44.03
CC1=C2SC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC=C1	REAL250005024028	0	30	-1.0	-39.08	280.51	3.09	-35.99
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CCF)N=C1	REAL250005024029	0	27	-1.0	-38.61	254.27	-0.19	-38.80
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1O	REAL250005024030	0	31	-1.0	-37.40	272.85	-0.26	-37.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1NC(=O)C=C2	REAL250005024031	0	30	-1.0	-46.00	267.58	0.46	-45.54
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005024032	0	28	-1.0	-36.01	265.22	-0.61	-36.62
CN1C=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CN=C21	REAL250005024033	0	29	-1.0	-45.88	264.25	1.68	-44.20
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)N=NS1	REAL250005024034	0	26	-1.0	-34.05	252.62	-0.18	-34.23
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CC2)=N1	REAL250005024035	0	31	-1.0	-38.95	275.79	0.98	-37.97
CCCC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024036	0	32	-1.0	-36.69	283.08	-1.35	-38.04
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005024037	0	32	-1.0	-41.36	289.96	2.92	-38.44
CC1(C)COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL250005024038	0	35	-1.0	-37.45	297.92	2.01	-35.44
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL250005024039	0	29	-1.0	-40.84	276.29	0.89	-39.95
O=C(NCC1=NC(=O)O[N-]1)C12CCC(F)(CC1)CC2	REAL250005024041	0	34	-1.0	-34.53	272.49	2.18	-32.35
CC(C)C(=O)N[C@@H](CO)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024042	0	34	-1.0	-38.50	294.75	-4.56	-43.06
CN1N=NC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005024043	0	33	-1.0	-39.69	280.90	-0.18	-39.87
COC1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C21	REAL250005024044	0	31	-1.0	-39.47	277.62	-0.95	-40.42
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN1C	REAL250005024045	0	31	-1.0	-41.42	267.84	1.83	-39.59
O=C(CN1C=C(Cl)C=N1)NCC1=NC(=O)O[N-]1	REAL250005024046	0	24	-1.0	-40.62	243.03	-0.34	-40.96
CC(C)(C)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024047	0	34	-1.0	-35.30	292.99	1.03	-34.27
CCOC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024048	0	33	-1.0	-36.55	297.74	2.65	-33.90
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=C(Cl)C=C1	REAL250005024049	0	28	-1.0	-35.83	270.07	0.32	-35.51
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL250005024050	0	32	-1.0	-37.46	288.35	1.78	-35.68
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)F)CCCC1	REAL250005024051	0	30	-1.0	-40.66	257.00	1.55	-39.11
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=N1	REAL250005024052	0	30	-1.0	-43.58	274.30	0.03	-43.55
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=N2)NN=C1	REAL250005024052	1	30	-1.0	-43.24	272.73	0.01	-43.23
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C(F)(F)F)=C1	REAL250005024053	0	26	-1.0	-34.59	255.24	0.27	-34.32
O=C(COCC1=CC=NC=C1)NCC1=NC(=O)O[N-]1	REAL250005024054	0	30	-1.0	-40.79	275.10	0.36	-40.43
C[C@H](CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024055	0	33	-1.0	-35.85	282.51	3.01	-32.84
O=C(CC1(C(F)(F)F)CC1)NCC1=NC(=O)O[N-]1	REAL250005024056	0	27	-1.0	-37.26	251.04	1.08	-36.18
O=C(COCC1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL250005024057	0	30	-1.0	-41.29	275.06	0.33	-40.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N1)SC(Cl)=C2	REAL250005024058	0	25	-1.0	-34.31	262.25	0.69	-33.62
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL250005024059	0	31	-1.0	-39.98	279.20	3.11	-36.87
CN1C=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024060	0	31	-1.0	-39.72	278.11	0.89	-38.83
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CN=C1	REAL250005024061	0	30	-1.0	-37.89	268.54	1.29	-36.60
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=NC=CC=C2C=C1	REAL250005024062	0	28	-1.0	-49.53	259.50	0.54	-48.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)F)=NN1	REAL250005024063	0	24	-1.0	-35.15	238.03	-1.66	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NN=NN2CC1	REAL250005024064	0	32	-1.0	-43.40	270.31	-0.55	-43.95
CC(CC1=CNC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024065	0	30	-1.0	-40.33	260.69	1.15	-39.18
CC(CC1=CN=CN1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024065	1	30	-1.0	-38.61	261.94	0.45	-38.16
O=C(CCCC(O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005024066	0	37	-1.0	-38.96	317.45	0.95	-38.01
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024067	0	35	-1.0	-39.15	303.16	2.38	-36.77
O=C(CC1CCC(=O)NC1)NCC1=NC(=O)O[N-]1	REAL250005024068	0	31	-1.0	-40.23	262.59	-2.00	-42.23
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CN=C1C1CC1	REAL250005024069	0	29	-1.0	-35.43	258.34	1.40	-34.03
O=C(COCC1CCCC1)NCC1=NC(=O)O[N-]1	REAL250005024070	0	34	-1.0	-37.81	285.68	1.81	-36.00
O=C(CC1CC2CCC1O2)NCC1=NC(=O)O[N-]1	REAL250005024071	0	32	-1.0	-36.56	263.51	-0.08	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1CCN2C=CN=C2C1	REAL250005024072	0	31	-1.0	-40.84	265.97	1.17	-39.67
CC1=NC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024073	0	32	-1.0	-37.21	278.68	2.10	-35.11
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCC2)CCC1	REAL250005024074	0	34	-1.0	-35.61	268.05	2.69	-32.92
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CC2)=N1	REAL250005024075	0	33	-1.0	-36.82	284.91	2.20	-34.62
CC1(C)CC=C(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024076	0	34	-1.0	-36.35	273.07	2.23	-34.12
CC(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL250005024077	0	35	-1.0	-39.88	292.00	2.36	-37.52
O=C(COCC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005024078	0	31	-1.0	-39.56	296.96	2.63	-36.93
CC(CC1=CN(C)N=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024079	0	33	-1.0	-38.86	285.89	0.74	-38.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CO1	REAL250005024080	0	21	-1.0	-35.88	227.06	-0.32	-36.20
C[C@H]1CC[C@@](C)(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005024081	0	39	-1.0	-36.41	289.65	3.15	-33.26
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005024082	0	34	-1.0	-38.61	277.51	0.83	-37.78
O=C(NCC1=NC(=O)O[N-]1)C1C[C@H]2CC(=O)[C@@H]1C2	REAL250005024083	0	30	-1.0	-38.59	254.57	0.67	-37.92
CN1C(=O)CCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024084	0	31	-1.0	-38.32	266.26	-0.69	-39.01
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1NC(N)=O	REAL250005024085	0	34	-1.0	-44.98	293.59	-2.56	-47.54
CC(C(=O)NCC1=NC(=O)O[N-]1)C1CCC(=O)N1	REAL250005024086	0	31	-1.0	-41.99	262.25	-1.96	-43.95
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CO)=N1	REAL250005024087	0	24	-1.0	-42.98	241.72	-4.60	-47.58
CCON1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024088	0	39	-1.0	-37.22	317.78	0.74	-36.48
CCC1=NN=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024089	0	25	-1.0	-39.85	247.75	-1.44	-41.29
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC=C1C#N	REAL250005024090	0	27	-1.0	-37.86	258.58	0.23	-37.63
CC(C)(C)C1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024091	0	36	-1.0	-36.05	285.75	2.24	-33.81
O=C(NCC1=NC(=O)O[N-]1)C1=C(N2C=CN=N2)C=CS1	REAL250005024092	0	27	-1.0	-47.13	264.33	0.30	-46.83
O=C(C=CC1=CC=C(C2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL250005024093	0	35	-1.0	-37.17	304.85	4.34	-32.83
COC(=O)C1=C(CCC(=O)NCC2=NC(=O)O[N-]2)OC=N1	REAL250005024094	0	32	-1.0	-42.29	295.67	-2.17	-44.46
NS(=O)(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024096	0	28	-1.0	-48.09	263.96	-5.47	-53.56
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C=CC=NN12	REAL250005024097	0	26	-1.0	-44.01	244.00	-0.03	-44.04
CC1(C)C(C#N)C1(C#N)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024098	0	29	-1.0	-41.78	267.53	0.96	-40.82
CN(C)C1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024099	0	31	-1.0	-42.51	271.07	-0.01	-42.52
O=C(NCC1=NC(=O)O[N-]1)C1(CO)CCOCC1	REAL250005024101	0	32	-1.0	-38.52	258.10	-3.42	-41.94
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C(F)(F)F)=N1	REAL250005024102	0	25	-1.0	-37.66	252.92	-1.54	-39.20
CC(C)(C)OC(=O)N1CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024103	0	38	-1.0	-45.77	316.26	1.09	-44.68
CCSC1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024104	0	30	-1.0	-42.86	274.66	1.17	-41.69
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CN(C)N=C1	REAL250005024105	0	33	-1.0	-39.17	286.09	0.83	-38.34
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL250005024106	0	33	-1.0	-39.77	280.22	3.85	-35.92
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL250005024107	0	31	-1.0	-36.88	273.67	3.08	-33.80
O=C(NCC1=NC(=O)O[N-]1)C1CC1(F)C1=CC=CC=C1	REAL250005024108	0	31	-1.0	-36.30	273.19	2.92	-33.38
CC1=CC=CC2=C1OC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005024109	0	32	-1.0	-39.45	281.24	2.61	-36.84
CN1C=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C=N1	REAL250005024110	0	31	-1.0	-40.02	290.00	0.68	-39.34
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(Cl)=C1	REAL250005024111	0	23	-1.0	-34.76	232.87	-0.21	-34.97
O=C(CS(=O)(=O)C1CC1)NCC1=NC(=O)O[N-]1	REAL250005024112	0	27	-1.0	-47.11	257.94	-2.50	-49.61
CC(C)CC1=CNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024113	0	34	-1.0	-37.04	290.38	1.53	-35.51
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024114	0	34	-1.0	-36.84	301.18	2.35	-34.49
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL250005024115	0	32	-1.0	-39.07	284.68	0.22	-38.85
CCCC(CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024117	0	38	-1.0	-36.10	300.83	3.18	-32.92
CCC(O)(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005024118	0	37	-1.0	-37.56	303.55	1.37	-36.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CNC2=N1	REAL250005024119	0	27	-1.0	-56.20	251.07	0.33	-55.87
CC(=O)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024120	0	25	-1.0	-36.67	254.07	-1.18	-37.85
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)C=CN1	REAL250005024121	0	32	-1.0	-39.39	283.91	2.49	-36.90
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(=O)CC1	REAL250005024122	0	32	-1.0	-36.56	261.78	0.77	-35.79
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCCC2=C1	REAL250005024123	0	31	-1.0	-42.52	268.55	0.46	-42.06
CCCCCCOC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024124	0	39	-1.0	-37.17	326.10	2.90	-34.27
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=NC=C2C=C1	REAL250005024125	0	28	-1.0	-42.16	259.47	-0.30	-42.46
C[C@]1(C(=O)NCC2=NC(=O)O[N-]2)C[C@@H]1C1=CC=CC=C1	REAL250005024126	0	34	-1.0	-36.87	285.86	3.50	-33.37
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)SC=N1	REAL250005024127	0	29	-1.0	-37.09	270.67	0.26	-36.83
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC=CC=C2O1	REAL250005024128	0	32	-1.0	-38.62	277.61	2.75	-35.87
CCCN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005024129	0	34	-1.0	-39.14	291.62	0.36	-38.78
CC(OC1=CC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024130	0	30	-1.0	-39.64	271.81	-0.07	-39.71
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C1CCCC2	REAL250005024131	0	34	-1.0	-43.92	286.68	1.17	-42.75
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005024132	0	34	-1.0	-36.80	275.04	2.72	-34.08
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL250005024133	0	28	-1.0	-39.88	258.40	-1.94	-41.82
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024134	0	32	-1.0	-40.03	294.50	3.46	-36.57
CS(=O)(=O)C1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024135	0	29	-1.0	-44.86	266.36	-2.09	-46.95
COC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024136	0	33	-1.0	-40.81	283.95	1.25	-39.56
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL250005024137	0	31	-1.0	-36.23	290.39	3.60	-32.63
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024138	0	35	-1.0	-40.03	302.04	2.43	-37.60
CC1=CC(Cl)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024139	0	26	-1.0	-35.54	249.27	0.38	-35.16
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL250005024140	0	30	-1.0	-43.31	281.54	0.48	-42.83
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CN=C2)N=N1	REAL250005024141	0	29	-1.0	-42.39	273.42	-1.03	-43.42
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCC2)=N1	REAL250005024142	0	34	-1.0	-38.60	291.74	1.47	-37.13
O=C(CC1=CC=CC(C2CC2)=C1)NCC1=NC(=O)O[N-]1	REAL250005024143	0	34	-1.0	-37.55	294.96	3.83	-33.72
CC(C)CC(C(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024144	0	33	-1.0	-43.31	275.21	-2.17	-45.48
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN1	REAL250005024145	0	31	-1.0	-40.64	269.44	0.99	-39.65
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005024146	0	30	-1.0	-42.00	277.44	-2.71	-44.71
O=C(NCC1=NC(=O)O[N-]1)C1SCCCS1	REAL250005024147	0	26	-1.0	-39.12	246.62	1.04	-38.08
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCCC1	REAL250005024148	0	30	-1.0	-35.69	261.15	1.62	-34.07
O=C(CC1=NOC2=CC=C(F)C=C21)NCC1=NC(=O)O[N-]1	REAL250005024149	0	29	-1.0	-40.87	275.60	1.11	-39.76
COC1CCCCN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005024150	0	38	-1.0	-41.65	306.14	0.33	-41.32
CN1N=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL250005024151	0	33	-1.0	-42.85	295.70	1.59	-41.26
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024152	0	32	-1.0	-41.05	284.23	3.04	-38.01
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005024153	0	35	-1.0	-39.48	294.84	1.62	-37.86
CC1=C(F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024154	0	27	-1.0	-35.43	242.34	1.76	-33.67
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1N1C=CC=N1	REAL250005024155	0	34	-1.0	-38.72	294.98	3.18	-35.54
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1CCOCC1	REAL250005024156	0	35	-1.0	-37.90	295.37	-1.10	-39.00
CC1CCC(C)(C=CC(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005024157	0	43	-1.0	-36.16	325.68	3.63	-32.53
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=CN1	REAL250005024158	0	24	-1.0	-38.94	237.34	-0.40	-39.34
COC(=O)C1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024159	0	29	-1.0	-41.99	273.50	-0.00	-41.99
CNC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024160	0	29	-1.0	-38.00	268.63	0.36	-37.64
O=C(NCC1=NC(=O)O[N-]1)C1(OC2=CC=CC=C2)CC1	REAL250005024161	0	32	-1.0	-37.54	279.92	2.11	-35.43
C[C@@](O)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005024162	0	31	-1.0	-36.85	268.66	-0.74	-37.59
CC1=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL250005024163	0	27	-1.0	-42.70	260.82	-0.19	-42.89
CN1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005024164	0	31	-1.0	-37.56	263.53	-0.72	-38.28
CCN1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005024165	0	34	-1.0	-37.62	284.91	0.29	-37.33
O=C(CC1=NSC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005024166	0	29	-1.0	-41.36	276.48	1.71	-39.65
CC(CC(=O)NCC1=NC(=O)O[N-]1)N1C=CC=N1	REAL250005024167	0	30	-1.0	-37.88	262.69	0.15	-37.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=CNN=C1	REAL250005024168	0	31	-1.0	-41.90	273.96	1.05	-40.85
O=C(CC1CS(=O)(=O)C1)NCC1=NC(=O)O[N-]1	REAL250005024169	0	27	-1.0	-43.47	252.54	-3.30	-46.77
CC(=CC1CCC(C)CC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024170	0	40	-1.0	-35.97	310.65	3.73	-32.24
COC1=NSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024171	0	24	-1.0	-34.72	241.67	-3.10	-37.82
COC1=CC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)N2C=C1	REAL250005024172	0	31	-1.0	-39.94	276.20	0.66	-39.28
CC1=C2OC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL250005024173	0	30	-1.0	-39.45	271.23	2.05	-37.40
CCC(CC1=CC=CC=C1C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024174	0	39	-1.0	-35.72	319.46	4.04	-31.68
CNC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024175	0	27	-1.0	-40.13	248.07	-2.89	-43.02
C=CCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005024176	0	30	-1.0	-42.30	278.08	-0.46	-42.76
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CN=CC=C2C=C1	REAL250005024177	0	28	-1.0	-41.87	259.46	-0.29	-42.16
CC(=O)NC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024178	0	34	-1.0	-42.45	301.84	0.64	-41.81
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005024179	0	35	-1.0	-36.08	276.72	0.80	-35.28
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024180	0	38	-1.0	-39.39	318.43	0.15	-39.24
CC(C)(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL250005024181	0	35	-1.0	-39.75	289.98	-0.12	-39.87
CC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL250005024182	0	37	-1.0	-36.78	309.68	4.00	-32.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC(O)=C21	REAL250005024183	0	31	-1.0	-41.92	275.56	1.81	-40.11
CC1=C(C)CC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024186	0	34	-1.0	-35.44	277.12	2.38	-33.06
CON1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024187	0	33	-1.0	-36.06	270.46	-1.56	-37.62
COC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024189	0	27	-1.0	-40.65	248.08	-1.35	-42.00
CCOC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005024190	0	36	-1.0	-36.32	300.54	2.27	-34.05
O=C(NCC1=NC(=O)O[N-]1)C1=CN2CCCCC2=C1	REAL250005024191	0	32	-1.0	-40.53	272.70	2.28	-38.25
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024192	0	29	-1.0	-42.88	274.46	2.38	-40.50
CCNC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005024193	0	28	-1.0	-39.51	267.53	-1.06	-40.57
NC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005024194	0	27	-1.0	-35.57	256.69	-1.14	-36.71
O=C(NCC1=NC(=O)O[N-]1)C1(NC2=CC=CC=C2)CC1	REAL250005024195	0	33	-1.0	-37.65	286.60	1.45	-36.20
CN1N=C(C2CC2)N=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024196	0	33	-1.0	-42.98	294.31	1.17	-41.81
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NC=NC=C2C1	REAL250005024197	0	32	-1.0	-36.74	275.03	1.39	-35.35
CC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1(F)Cl	REAL250005024198	0	27	-1.0	-34.36	256.19	1.28	-33.08
O=C(CC1=C2C=CC=CN2N=C1)NCC1=NC(=O)O[N-]1	REAL250005024199	0	30	-1.0	-43.03	273.49	1.53	-41.50
CC1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL250005024200	0	34	-1.0	-39.49	286.00	1.06	-38.43
O=C(CC1=CC=C2OCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005024201	0	35	-1.0	-39.23	299.45	2.36	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=CC=C(F)C=C12	REAL250005024202	0	27	-1.0	-39.11	256.22	1.45	-37.66
CC(C)CN1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024203	0	33	-1.0	-35.56	282.66	1.17	-34.39
O=C(NCC1=NC(=O)O[N-]1)C1CCCCC1C1CC1	REAL250005024204	0	37	-1.0	-35.11	292.34	3.26	-31.85
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2F)CCC1	REAL250005024205	0	34	-1.0	-38.02	292.43	3.37	-34.65
CC(C)(C)OC(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024206	0	38	-1.0	-41.37	317.61	2.35	-39.02
O=C(CN1C=CC2=CC=C(F)C=C21)NCC1=NC(=O)O[N-]1	REAL250005024207	0	31	-1.0	-40.44	285.32	3.27	-37.17
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCOCC2=C1	REAL250005024208	0	29	-1.0	-42.42	259.48	-1.94	-44.36
CC(C)=CCCC(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024209	0	39	-1.0	-35.59	315.87	3.52	-32.07
CC1(C)CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2O1	REAL250005024210	0	35	-1.0	-37.62	298.53	2.31	-35.31
CC(C)(C)OC(=O)COCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024211	0	36	-1.0	-44.58	309.73	1.53	-43.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=NC=C21	REAL250005024212	0	29	-1.0	-40.26	257.70	1.51	-38.75
C=CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005024213	0	27	-1.0	-42.82	256.56	-1.22	-44.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL250005024214	0	33	-1.0	-39.31	292.88	2.91	-36.40
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CCC2)N=N1	REAL250005024215	0	30	-1.0	-41.94	267.68	-0.65	-42.59
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024216	0	36	-1.0	-35.85	295.64	2.67	-33.18
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC2=CC=CC=C21	REAL250005024217	0	34	-1.0	-38.17	282.35	3.53	-34.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)C1CC1	REAL250005024218	0	35	-1.0	-46.30	296.46	1.90	-44.40
COC(=O)C12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C2	REAL250005024219	0	31	-1.0	-37.09	279.12	1.28	-35.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(O)=CC=C21	REAL250005024220	0	31	-1.0	-39.49	273.62	0.47	-39.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C2=NC=CC=C2C=C1	REAL250005024221	0	30	-1.0	-42.91	270.73	0.08	-42.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CNC=N2)C=C1	REAL250005024222	0	31	-1.0	-42.69	279.25	2.27	-40.42
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL250005024223	0	29	-1.0	-45.82	281.10	2.60	-43.22
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(O)C=C2O1	REAL250005024224	0	31	-1.0	-39.07	279.88	-1.71	-40.78
CC(C)(C)OC(=O)C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024225	0	38	-1.0	-39.76	310.74	2.94	-36.82
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL250005024226	0	41	-1.0	-39.65	329.45	2.56	-37.09
COC1=NN(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024227	0	28	-1.0	-42.21	258.09	-2.90	-45.11
CC(C)(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)NC=N1	REAL250005024229	0	33	-1.0	-36.53	272.10	1.09	-35.44
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005024230	0	25	-1.0	-37.00	248.96	0.25	-36.75
CC1=NN(C(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024231	0	33	-1.0	-37.46	284.43	0.79	-36.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)N=C1	REAL250005024232	0	26	-1.0	-37.94	249.25	0.19	-37.75
O=C(NCC1=NC(=O)O[N-]1)C1=C2OCCOC2=CS1	REAL250005024233	0	27	-1.0	-41.02	256.03	-0.47	-41.49
O=C(CCCC1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005024234	0	33	-1.0	-39.19	299.28	3.37	-35.82
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC=C1C(F)(F)F	REAL250005024235	0	26	-1.0	-38.40	246.80	0.30	-38.10
O=C(NCC1=NC(=O)O[N-]1)C1CCCCC1N1C=CC=N1	REAL250005024237	0	37	-1.0	-37.91	294.65	2.75	-35.16
CC(C)C1CCC(C)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024238	0	42	-1.0	-34.90	299.08	3.88	-31.02
C#CCN1CCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024239	0	31	-1.0	-36.99	265.36	-1.19	-38.18
CC(CC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024240	0	34	-1.0	-37.88	303.35	3.40	-34.48
CC(C)(C)OC(=O)CCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024241	0	41	-1.0	-38.65	339.11	3.13	-35.52
C[C@H](NC(=O)C1=CC=CO1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024242	0	31	-1.0	-38.94	283.88	-1.61	-40.55
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CCF)C(=O)C=C1	REAL250005024243	0	29	-1.0	-36.93	272.02	-0.80	-37.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(C2CC2)=C1	REAL250005024244	0	30	-1.0	-34.98	282.97	1.75	-33.23
CC(C)(C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024245	0	36	-1.0	-37.21	297.28	3.37	-33.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2CC2)=C1	REAL250005024246	0	31	-1.0	-37.20	270.33	3.14	-34.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=N1	REAL250005024247	0	29	-1.0	-43.65	262.82	-2.72	-46.37
O=C(CCCC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005024248	0	33	-1.0	-37.93	295.05	3.39	-34.54
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)N1C	REAL250005024249	0	30	-1.0	-48.01	275.36	0.02	-47.99
O=C(CC1OCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005024250	0	32	-1.0	-39.20	280.23	1.69	-37.51
COC1=CN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL250005024251	0	31	-1.0	-40.67	277.99	0.03	-40.64
O=C(CCC1CCCCCC1)NCC1=NC(=O)O[N-]1	REAL250005024252	0	39	-1.0	-35.41	299.10	3.11	-32.30
CC1(C)CC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2O1	REAL250005024253	0	35	-1.0	-42.99	297.51	3.18	-39.81
O=C(NCC1=NC(=O)O[N-]1)C1CCCS1(=O)=O	REAL250005024254	0	27	-1.0	-46.65	248.15	-3.29	-49.94
NC1=NC(C2CC2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024255	0	31	-1.0	-35.69	273.42	-0.16	-35.85
CN1CCC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL250005024256	0	36	-1.0	-38.89	294.63	1.56	-37.33
CN(C)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005024257	0	31	-1.0	-34.77	289.12	0.27	-34.50
CC(C)(C)N1CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024258	1	35	-1.0	-37.52	279.30	-1.64	-39.16
O=C(CC1=CC=CN=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005024259	0	26	-1.0	-40.63	254.68	0.29	-40.34
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(=O)COC2=CC=C1	REAL250005024260	0	30	-1.0	-40.51	266.95	-1.32	-41.83
CC(=NO)C1CC(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005024261	0	37	-1.0	-40.01	304.05	-0.60	-40.61
CC1=CN=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=CN12	REAL250005024262	0	30	-1.0	-39.80	269.46	2.13	-37.67
O=C(NCC1=NC(=O)O[N-]1)C1(N2CCOCC2)CC1	REAL250005024263	0	34	-1.0	-37.14	274.85	-1.62	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=CO1	REAL250005024264	0	23	-1.0	-38.05	236.00	-3.19	-41.24
CC1CC2=CNN=C2C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024265	0	34	-1.0	-42.03	284.62	0.63	-41.40
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=CN=C1	REAL250005024266	0	36	-1.0	-37.44	303.00	3.19	-34.25
CN1C(Cl)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024267	0	24	-1.0	-35.54	237.63	-0.10	-35.64
CN1CCCC1C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024268	0	36	-1.0	-35.14	299.32	-2.25	-37.39
CN1C(=O)CSC1=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024269	0	27	-1.0	-38.42	254.36	-0.51	-38.93
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005024270	0	39	-1.0	-36.47	317.15	2.85	-33.62
CC1=CC=CC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)N21	REAL250005024271	0	30	-1.0	-41.60	259.36	1.82	-39.78
CC(=CC1=CC=NC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024272	0	30	-1.0	-37.13	263.40	1.06	-36.07
CC(=CC1=CC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024273	0	30	-1.0	-39.07	264.70	2.12	-36.95
CC(=CC1=CC=CN=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024274	0	30	-1.0	-37.58	263.36	1.06	-36.52
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(NC2CC2)=N1	REAL250005024275	0	35	-1.0	-36.30	303.77	1.21	-35.09
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC2(F)F)CC1	REAL250005024276	0	34	-1.0	-35.95	290.25	2.77	-33.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)C=C1F	REAL250005024277	0	27	-1.0	-39.85	259.82	2.05	-37.80
COC1=CC=CC(O)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024278	0	29	-1.0	-43.28	264.78	-2.55	-45.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CN=CC=C2C=C1	REAL250005024279	0	29	-1.0	-37.50	262.07	1.54	-35.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=C1NC(=O)N2	REAL250005024281	0	27	-1.0	-37.56	249.93	-2.74	-40.30
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CNC2=CN=C1	REAL250005024282	0	26	-1.0	-47.86	241.35	-0.96	-48.82
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C2N=CN=C21	REAL250005024282	1	26	-1.0	-60.40	241.19	-0.53	-60.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=N2)N=C1	REAL250005024283	0	32	-1.0	-38.98	290.37	1.42	-37.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=NC=N2)=N1	REAL250005024284	0	29	-1.0	-41.01	273.84	2.96	-38.05
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CSC2=CC=C1	REAL250005024285	0	26	-1.0	-43.18	251.16	0.69	-42.49
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005024286	0	27	-1.0	-44.96	267.78	-3.37	-48.33
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=CC=C(Cl)C=C12	REAL250005024287	0	27	-1.0	-38.35	266.54	1.90	-36.45
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CC(C)(O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024292	0	40	-1.0	-36.92	306.88	-0.28	-37.20
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CC(COCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005024296	0	37	-1.0	-38.26	318.54	3.42	-34.84
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CC(CC(=O)NCC1=NC(=O)O[N-]1)N1C=CN=C1	REAL250005024301	0	30	-1.0	-37.29	263.31	1.66	-35.63
CCN1C=CC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024302	0	30	-1.0	-43.42	269.31	0.35	-43.07
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CSC1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024305	0	27	-1.0	-42.94	253.20	0.31	-42.63
CCC1=NC=CN1C(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024306	0	36	-1.0	-37.09	304.08	2.21	-34.88
CCCOC1=CC=NC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024307	0	35	-1.0	-40.51	311.41	-1.04	-41.55
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O=C(CC1=CN2CCCCC2=N1)NCC1=NC(=O)O[N-]1	REAL250005024309	0	34	-1.0	-45.42	288.74	2.04	-43.38
CSC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024310	0	27	-1.0	-38.73	261.83	0.49	-38.24
CC(=O)NCC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024311	0	33	-1.0	-43.00	279.55	-1.45	-44.45
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL250005024312	0	30	-1.0	-35.80	278.42	2.79	-33.01
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1CCCC1	REAL250005024313	0	34	-1.0	-36.06	282.81	2.80	-33.26
COC(CC(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL250005024314	0	27	-1.0	-35.51	253.73	-0.36	-35.87
CSCC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024315	0	31	-1.0	-36.04	278.79	1.90	-34.14
O=C(CC1C2CC3CC(C2)CC1C3)NCC1=NC(=O)O[N-]1	REAL250005024316	0	41	-1.0	-35.66	299.54	3.49	-32.17
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(C(=O)N1)C2C3	REAL250005024317	0	33	-1.0	-40.05	271.65	-1.23	-41.28
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024318	0	38	-1.0	-40.64	322.55	-0.75	-41.39
NC(=O)C1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024319	0	27	-1.0	-50.70	258.59	-3.44	-54.14
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL250005024320	0	34	-1.0	-36.97	294.16	0.15	-36.82
CC(C)(C)N1N=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024321	0	31	-1.0	-40.53	278.33	-1.20	-41.73
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O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](C2CCC2)CC1	REAL250005024323	0	40	-1.0	-35.08	314.58	3.90	-31.18
O=C(NCC1=NC(=O)O[N-]1)C1=C2C(Cl)=CC=CN2N=C1	REAL250005024324	0	27	-1.0	-43.99	258.64	1.29	-42.70
CC(=O)NC(CCC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024325	0	39	-1.0	-43.66	318.74	1.30	-42.36
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C#N	REAL250005024326	0	29	-1.0	-36.85	270.74	0.76	-36.09
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CN2C=C1	REAL250005024327	0	30	-1.0	-48.82	270.66	2.99	-45.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=NC=C12	REAL250005024328	0	29	-1.0	-36.20	263.33	1.54	-34.66
N#CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005024329	0	34	-1.0	-42.46	278.44	1.71	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC=C1	REAL250005024330	0	30	-1.0	-31.53	268.61	1.92	-29.61
CC(C)(CC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024331	0	29	-1.0	-33.87	251.90	0.86	-33.01
O=C(NCC1=NC(=O)O[N-]1)C1COCC1C1=CC=CC=C1	REAL250005024332	0	35	-1.0	-37.60	296.61	1.55	-36.05
CN1N=CC(C2CC2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024333	0	31	-1.0	-37.43	277.92	0.80	-36.63
CC1(C)OCC2CC21C(=O)NCC1=NC(=O)O[N-]1	REAL250005024334	0	32	-1.0	-37.81	265.36	-0.02	-37.83
COC1=NOC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024335	0	30	-1.0	-38.05	275.08	-1.89	-39.94
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CN1C=C(C=CC(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005024337	0	27	-1.0	-45.59	256.38	-1.20	-46.79
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL250005024338	0	39	-1.0	-39.45	320.91	3.84	-35.61
C=C(C)CC(NC(C)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024339	0	34	-1.0	-42.93	292.46	0.38	-42.55
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(F)(F)CC1	REAL250005024340	0	34	-1.0	-34.22	277.81	0.24	-33.98
CN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL250005024341	0	35	-1.0	-42.71	301.11	3.92	-38.79
CCCCCC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024342	0	36	-1.0	-35.31	310.82	1.18	-34.13
CC(C)[C@H](NCC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024343	0	34	-1.0	-37.47	295.44	-0.61	-38.08
CNC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005024344	0	25	-1.0	-40.03	246.04	-1.89	-41.92
CC1=CC([N+](=O)[O-])=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024345	0	28	-1.0	-37.77	268.49	0.61	-37.16
CC1(C)CC(C(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL250005024346	0	42	-1.0	-35.21	317.71	3.17	-32.04
O=C(CN1C=C(C2CC2)C=N1)NCC1=NC(=O)O[N-]1	REAL250005024347	0	31	-1.0	-41.88	277.29	1.29	-40.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1COCC2	REAL250005024348	0	32	-1.0	-38.29	269.27	1.17	-37.12
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CC2(F)F)C1	REAL250005024349	0	28	-1.0	-35.56	257.98	1.56	-34.00
CC1=CC(F)=CC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024350	0	30	-1.0	-35.78	270.24	2.05	-33.73
CN1N=CC(C2CCC2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024351	0	34	-1.0	-37.23	294.57	1.31	-35.92
O=C(NCC1=NC(=O)O[N-]1)C1(N2C=NN=N2)CC1	REAL250005024352	0	26	-1.0	-37.64	246.13	-0.88	-38.52
COC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005024353	0	30	-1.0	-38.74	279.11	0.63	-38.11
O=C(NCC1=NC(=O)O[N-]1)C(CO)C1=CC=CC=C1	REAL250005024354	0	31	-1.0	-38.99	270.46	-0.59	-39.58
O=C(NCC1=NC(=O)O[N-]1)C1CCN1C1CCCC1	REAL250005024355	1	36	-1.0	-34.95	282.96	-1.13	-36.08
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(CO)NC2=CC=C1	REAL250005024356	0	31	-1.0	-46.77	278.77	-2.56	-49.33
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(CO)=NC2=CC=C1	REAL250005024356	1	31	-1.0	-41.28	277.30	-2.54	-43.82
CCC1=CNC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024357	0	30	-1.0	-43.61	267.68	-0.20	-43.81
O=C(CC1=CN=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005024358	0	32	-1.0	-40.67	283.65	2.08	-38.59
CC(=CC(=O)NCC1=NC(=O)O[N-]1)CN1CCOCC1	REAL250005024359	0	37	-1.0	-37.00	303.31	-1.53	-38.53
O=C(NCC1=NC(=O)O[N-]1)C1=NN=C(C2=CC=CO2)O1	REAL250005024360	0	26	-1.0	-40.69	257.70	-4.81	-45.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL250005024361	0	27	-1.0	-40.03	260.02	0.76	-39.27
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC=NC2=N1	REAL250005024362	0	25	-1.0	-51.67	242.04	1.21	-50.46
COC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024363	0	31	-1.0	-39.79	282.60	1.22	-38.57
CC1=NNC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005024364	0	30	-1.0	-37.73	269.59	0.34	-37.39
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC2=CC=NC=C21	REAL250005024365	0	29	-1.0	-43.96	271.38	1.33	-42.63
NC(=O)N=NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024366	0	30	-1.0	-40.46	282.25	-3.77	-44.23
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=S)N1C1CC1	REAL250005024367	0	29	-1.0	-39.15	265.50	1.23	-37.92
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL250005024368	0	29	-1.0	-43.30	276.30	-2.29	-45.59
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CSC2=NC=N1	REAL250005024369	0	25	-1.0	-38.20	246.85	0.36	-37.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1C(F)F	REAL250005024370	0	24	-1.0	-40.05	229.54	-0.53	-40.58
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=NOC=C2)OC=N1	REAL250005024371	0	26	-1.0	-48.03	250.55	-2.77	-50.80
CC(C)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024372	0	33	-1.0	-37.80	279.60	2.82	-34.98
CC1=NN(C(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024373	0	33	-1.0	-38.43	284.64	0.76	-37.67
O=C(CCCC1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL250005024374	0	32	-1.0	-39.42	283.48	1.53	-37.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CF)C=C1	REAL250005024375	0	27	-1.0	-37.83	249.11	1.87	-35.96
COC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOC1	REAL250005024376	0	32	-1.0	-37.61	272.39	-1.00	-38.61
CC(C)(C)N1N=NC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024377	0	34	-1.0	-42.68	299.11	-0.70	-43.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2COCCC2=C1	REAL250005024378	0	32	-1.0	-37.82	274.88	1.15	-36.67
COCCCOCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024379	0	34	-1.0	-36.80	296.43	-1.34	-38.14
COC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024380	0	35	-1.0	-38.00	303.15	2.38	-35.62
COCC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024381	0	30	-1.0	-38.20	271.22	-1.02	-39.22
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCCCC1	REAL250005024382	0	33	-1.0	-35.73	272.68	2.09	-33.64
CN(C)C(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024383	0	40	-1.0	-46.51	312.81	1.03	-45.48
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC=N1	REAL250005024384	0	30	-1.0	-41.58	260.39	0.40	-41.18
COC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005024385	0	31	-1.0	-40.56	288.78	1.50	-39.06
CC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(N)=N1	REAL250005024386	0	27	-1.0	-35.70	243.23	-1.86	-37.56
O=C(CCC1CC1(Cl)Cl)NCC1=NC(=O)O[N-]1	REAL250005024387	0	27	-1.0	-36.95	270.29	2.08	-34.87
O=C(NCC1=NC(=O)O[N-]1)C1(N2C=NN=N2)CCOCC1	REAL250005024388	0	33	-1.0	-37.23	276.83	-1.49	-38.72
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCN2C=C1	REAL250005024389	0	32	-1.0	-41.57	270.09	2.28	-39.29
CCNC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024390	0	28	-1.0	-37.71	267.27	-0.95	-38.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2)C=C1	REAL250005024391	0	31	-1.0	-36.81	270.32	3.15	-33.66
COC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL250005024392	0	34	-1.0	-36.42	281.61	1.56	-34.86
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024393	0	34	-1.0	-36.77	290.88	3.60	-33.17
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2CO1	REAL250005024394	0	32	-1.0	-38.23	278.13	2.25	-35.98
COC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005024395	0	37	-1.0	-36.49	298.79	2.10	-34.39
CC(CC1=CC=CO1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024396	0	30	-1.0	-36.35	264.91	1.24	-35.11
CC1CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2O1	REAL250005024397	0	32	-1.0	-37.69	278.00	1.64	-36.05
O=C(NCC1=NC(=O)O[N-]1)C1CC2(C1)CCCCC2	REAL250005024398	0	37	-1.0	-35.43	292.13	2.93	-32.50
COCC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024399	0	28	-1.0	-37.82	268.56	-0.23	-38.05
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCO1	REAL250005024400	0	34	-1.0	-36.47	275.74	0.38	-36.09
O=C(NCC1=NC(=O)O[N-]1)C1=NOC2=C1COCC2	REAL250005024401	0	28	-1.0	-40.07	252.91	-1.35	-41.42
CC1=CN2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=N1	REAL250005024402	0	30	-1.0	-40.36	269.65	2.20	-38.16
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CC2)N=N1	REAL250005024403	0	27	-1.0	-42.61	252.04	-1.11	-43.72
O=C(CC1NC(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005024404	0	32	-1.0	-42.37	285.64	-0.52	-42.89
CNC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005024405	0	29	-1.0	-38.51	261.39	-0.05	-38.56
O=C(NCC1=NC(=O)O[N-]1)C1CCC2C(C1)C2(F)F	REAL250005024406	0	31	-1.0	-37.51	263.55	2.03	-35.48
CC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=NC=C1Cl	REAL250005024407	0	29	-1.0	-39.83	274.98	1.20	-38.63
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(F)(F)CC1	REAL250005024408	0	36	-1.0	-35.30	287.10	2.24	-33.06
CN1N=CC(C(F)(F)F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024409	0	27	-1.0	-36.78	267.29	-0.29	-37.07
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCOCC1	REAL250005024410	0	31	-1.0	-34.96	264.31	-0.26	-35.22
CSCC[C@H](NC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024411	0	33	-1.0	-46.92	296.11	-2.52	-49.44
CC1=CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024412	0	34	-1.0	-36.25	275.22	2.18	-34.07
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024413	0	34	-1.0	-35.98	287.11	0.58	-35.40
CC1(C)CCCC(O)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024414	0	37	-1.0	-35.10	286.10	-0.30	-35.40
COC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024415	0	35	-1.0	-39.68	294.74	-0.04	-39.72
O=C(CCC1=CC=CN=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005024416	0	29	-1.0	-39.43	274.82	1.06	-38.37
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005024417	0	37	-1.0	-38.46	288.68	1.36	-37.10
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2CCCCCN12	REAL250005024418	0	34	-1.0	-39.09	277.23	1.41	-37.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CSC=C2S1	REAL250005024419	0	24	-1.0	-39.78	251.29	1.41	-38.37
CC1=CC=CC=C1CC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024420	0	36	-1.0	-35.77	298.57	3.48	-32.29
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(C(F)F)=C1	REAL250005024421	0	27	-1.0	-36.04	258.30	0.84	-35.20
CC1=CC=C2OC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL250005024422	0	33	-1.0	-40.70	295.06	2.76	-37.94
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005024423	0	31	-1.0	-36.98	283.97	1.95	-35.03
CC(C)C1=NC=CN1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024424	0	33	-1.0	-39.84	288.34	1.61	-38.23
O=C(NCC1=NC(=O)O[N-]1)C1CN(C2CCOC2)C1	REAL250005024425	1	34	-1.0	-37.96	283.82	-3.10	-41.06
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL250005024426	0	34	-1.0	-40.39	301.71	4.11	-36.28
O=C(CN1CSCCSC1)NCC1=NC(=O)O[N-]1	REAL250005024427	0	31	-1.0	-37.56	280.37	-0.46	-38.02
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2COCCN12	REAL250005024429	0	29	-1.0	-36.26	253.34	-1.15	-37.41
N#CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005024430	0	32	-1.0	-41.63	270.00	-0.63	-42.26
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)NC2CCCCC21	REAL250005024431	0	38	-1.0	-38.24	304.10	-0.39	-38.63
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CC2)O1	REAL250005024433	0	27	-1.0	-37.99	252.08	-1.59	-39.58
CN(CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024435	0	38	-1.0	-36.76	318.63	1.64	-35.12
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)O1	REAL250005024436	0	26	-1.0	-44.07	250.05	-3.43	-47.50
O=C(NCC1=NC(=O)O[N-]1)C1CC2=C(Cl)C=CC=C21	REAL250005024437	0	28	-1.0	-36.23	267.74	2.79	-33.44
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CO1	REAL250005024438	0	30	-1.0	-36.37	264.57	1.21	-35.16
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC=CC=C2CC1	REAL250005024439	0	37	-1.0	-36.58	298.53	3.96	-32.62
O=C(CC(C1CCC1)C1CCC1)NCC1=NC(=O)O[N-]1	REAL250005024440	0	40	-1.0	-35.71	310.22	3.90	-31.81
CC1=CC=C(COC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024441	0	37	-1.0	-39.24	320.62	3.54	-35.70
O=C(NCC1=NC(=O)O[N-]1)C1C2CCCCCCC21	REAL250005024442	0	37	-1.0	-35.63	281.92	2.85	-32.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NN=NN2C=C1	REAL250005024443	0	25	-1.0	-37.32	237.88	-0.84	-38.16
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C2CC2)CC1	REAL250005024444	0	37	-1.0	-35.14	297.60	3.36	-31.78
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC=CC2=NC=N1	REAL250005024445	0	25	-1.0	-39.24	248.06	0.40	-38.84
CCCCCCCCC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024446	0	44	-1.0	-35.39	352.38	4.72	-30.67
CN1CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005024447	0	31	-1.0	-43.20	266.49	-0.88	-44.08
CN1CC(O)CC1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024448	0	33	-1.0	-37.75	264.74	-4.29	-42.04
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=NC=CS1	REAL250005024450	0	29	-1.0	-39.19	266.02	0.05	-39.14
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=CC=CC=C3C21	REAL250005024451	0	32	-1.0	-38.15	272.54	3.48	-34.67
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC(F)=CC=C2C1	REAL250005024452	0	32	-1.0	-35.58	282.15	1.66	-33.92
CC1=CC=CC=C1COC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024453	0	37	-1.0	-39.37	316.19	3.51	-35.86
CSC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024454	0	28	-1.0	-36.74	266.45	0.93	-35.81
O=C(C=CC1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005024455	0	25	-1.0	-37.29	245.90	1.32	-35.97
COC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC2(CCC2)C1	REAL250005024456	0	37	-1.0	-35.73	308.99	2.59	-33.14
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL250005024457	0	33	-1.0	-37.56	282.34	1.88	-35.68
CC(C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024458	0	33	-1.0	-37.13	281.31	2.95	-34.18
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C(F)(F)F)=C1	REAL250005024459	0	24	-1.0	-34.77	253.00	1.16	-33.61
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL250005024460	0	37	-1.0	-36.22	306.75	4.13	-32.09
COCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024461	0	34	-1.0	-41.62	302.86	-0.49	-42.11
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=NC=C1	REAL250005024462	0	32	-1.0	-36.86	275.90	1.22	-35.64
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CSC2=CN=C1	REAL250005024463	0	26	-1.0	-38.15	249.03	0.57	-37.58
CCOC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005024464	0	35	-1.0	-35.90	284.69	-1.01	-36.91
CC1=CC=CC=C1COCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024465	0	34	-1.0	-39.98	296.40	2.80	-37.18
CC1=CC=CC(COCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024466	0	34	-1.0	-39.74	301.63	2.78	-36.96
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC=CC2=CC=N1	REAL250005024467	0	26	-1.0	-42.32	252.91	0.69	-41.63
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL250005024468	0	33	-1.0	-51.45	277.81	-0.02	-51.47
O=C(CN1C=CC(C(F)F)=N1)NCC1=NC(=O)O[N-]1	REAL250005024469	0	27	-1.0	-42.15	261.02	-0.02	-42.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL250005024470	0	30	-1.0	-38.96	267.97	0.26	-38.70
CC1=CN2C=CN=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024471	0	30	-1.0	-49.02	267.79	2.81	-46.21
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2(CC2)C1	REAL250005024472	0	34	-1.0	-35.21	278.32	2.60	-32.61
CCCN1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024473	0	30	-1.0	-35.59	264.69	0.39	-35.20
CC1=CC=C(COCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024474	0	34	-1.0	-39.72	301.63	2.79	-36.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)F)=CC=C1F	REAL250005024475	0	27	-1.0	-44.34	259.82	2.06	-42.28
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005024476	0	31	-1.0	-37.84	265.16	1.11	-36.73
CCC1=CNC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024477	0	30	-1.0	-52.81	266.15	-0.33	-53.14
O=C(NCC1=NC(=O)O[N-]1)C(O)CC1=CC=CC=C1	REAL250005024478	0	31	-1.0	-36.45	276.88	0.46	-35.99
CN1N=CC(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024479	0	24	-1.0	-36.26	243.44	-0.82	-37.08
CC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005024480	0	27	-1.0	-41.04	258.80	1.68	-39.36
CC1=CC(C)=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024481	0	33	-1.0	-37.69	288.57	3.05	-34.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL250005024482	0	36	-1.0	-37.45	298.95	1.55	-35.90
O=C(NCC1=NC(=O)O[N-]1)C1=C2CC(=O)NC2=NC=C1	REAL250005024483	0	28	-1.0	-36.56	256.80	-1.29	-37.85
COC(=O)C=CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024484	0	31	-1.0	-39.46	295.87	1.25	-38.21
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(F)=C1Cl	REAL250005024485	0	24	-1.0	-39.69	252.75	1.43	-38.26
CCN1N=CC(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024486	0	27	-1.0	-36.15	265.24	0.06	-36.09
COC(=O)C1=C(C)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024487	0	30	-1.0	-37.41	280.16	0.45	-36.96
COC(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005024488	0	30	-1.0	-43.24	282.73	-0.15	-43.39
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CO2)=N1	REAL250005024489	0	31	-1.0	-43.14	284.80	1.58	-41.56
NC(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024490	0	29	-1.0	-39.15	278.23	-2.66	-41.81
CSC1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024491	0	29	-1.0	-40.92	270.10	0.61	-40.31
CCCCC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005024492	0	38	-1.0	-35.68	298.70	3.01	-32.67
O=C(NCC1=NC(=O)O[N-]1)C(=O)NC1=C(F)C=CC=C1F	REAL250005024493	0	28	-1.0	-41.88	275.35	-0.46	-42.34
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC2)CC1	REAL250005024494	0	34	-1.0	-35.19	278.26	2.61	-32.58
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC(F)=CC=C21	REAL250005024495	0	31	-1.0	-36.03	273.00	2.88	-33.15
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005024496	0	37	-1.0	-37.25	312.07	4.28	-32.97
CCOCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024497	0	34	-1.0	-38.62	303.21	-0.30	-38.92
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)SC=C1	REAL250005024498	0	24	-1.0	-38.03	245.94	1.16	-36.87
CN1N=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005024499	0	24	-1.0	-37.79	261.02	-0.49	-38.28
CN1C=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024500	0	24	-1.0	-42.47	241.86	-0.65	-43.12
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCC2)CCNC1=O	REAL250005024501	0	38	-1.0	-40.10	295.45	-0.63	-40.73
CCOC1=CC=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024502	0	35	-1.0	-38.23	306.99	2.46	-35.77
COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024503	0	32	-1.0	-38.47	285.08	1.55	-36.92
O=C(CC1=CC=C(F)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005024504	0	27	-1.0	-37.37	268.34	2.29	-35.08
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)SC=C1	REAL250005024505	0	21	-1.0	-36.95	226.14	0.56	-36.39
CC1(C)CC1(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005024506	0	37	-1.0	-37.69	306.26	3.83	-33.86
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL250005024507	0	28	-1.0	-35.97	264.25	2.09	-33.88
O=C(NCC1=NC(=O)O[N-]1)C1=CSC=C1C(F)(F)F	REAL250005024508	0	24	-1.0	-38.92	245.63	1.04	-37.88
CN1C=C(CCC(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005024509	0	29	-1.0	-43.15	263.93	-0.99	-44.14
CCOCCOCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024510	0	37	-1.0	-40.09	318.24	-0.22	-40.31
COC1=CC=CC(C(OC)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024511	0	35	-1.0	-39.31	307.57	1.16	-38.15
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005024512	0	28	-1.0	-37.36	267.22	1.04	-36.32
CC(=O)NC1=CNC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024513	0	31	-1.0	-60.44	282.71	-2.85	-63.29
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)C=NN1	REAL250005024515	0	24	-1.0	-35.09	239.19	-1.42	-36.51
O=C(CC1=CC(C2CC2)=NO1)NCC1=NC(=O)O[N-]1	REAL250005024516	0	30	-1.0	-40.17	272.84	1.41	-38.76
CC1=NOC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL250005024518	0	30	-1.0	-37.04	274.12	1.15	-35.89
CC1CN(C)CC(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024520	0	33	-1.0	-37.32	277.06	-1.75	-39.07
CN1C=NC2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL250005024521	0	29	-1.0	-39.65	259.12	0.44	-39.21
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CC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005024526	0	30	-1.0	-42.74	273.88	-0.37	-43.11
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C2C(F)=CC=CN21	REAL250005024527	0	27	-1.0	-42.22	254.88	1.63	-40.59
O=C(C=CC=C(Cl)Cl)NCC1=NC(=O)O[N-]1	REAL250005024528	0	22	-1.0	-35.79	242.46	0.97	-34.82
CC1=C(CO)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024529	0	28	-1.0	-41.69	258.89	-2.76	-44.45
CN1CCCCC(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005024530	0	34	-1.0	-37.85	267.55	0.71	-37.14
CN(CC(=O)NCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005024531	1	37	-1.0	-35.89	292.87	0.29	-35.60
CN1C=NC(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005024532	0	26	-1.0	-43.51	243.64	-0.37	-43.88
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O=C(NCC1=NC(=O)O[N-]1)C1=NC(C2=CN=CC=N2)=NO1	REAL250005024535	0	27	-1.0	-39.76	266.09	-4.15	-43.91
CN1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005024536	0	29	-1.0	-45.49	253.90	-1.60	-47.09
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O=C(CC1CCCS1(=O)=O)NCC1=NC(=O)O[N-]1	REAL250005024538	0	30	-1.0	-50.14	266.59	-2.35	-52.49
CC1=CC=C(C(=O)C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024539	0	33	-1.0	-38.44	299.56	2.81	-35.63
CC1=CN(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024540	0	33	-1.0	-38.65	282.50	1.92	-36.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC=NC2=C1F	REAL250005024541	0	27	-1.0	-46.68	251.30	0.76	-45.92
CC1=NN=C(CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024542	0	28	-1.0	-40.21	259.25	-4.54	-44.75
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O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2N=NN=C12	REAL250005024544	0	25	-1.0	-52.77	237.07	-0.51	-53.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CNC1=O	REAL250005024545	0	24	-1.0	-49.46	229.71	-1.67	-51.13
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C#N)C=C1	REAL250005024546	0	34	-1.0	-37.55	297.56	3.05	-34.50
O=CC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024547	0	26	-1.0	-38.31	248.90	0.85	-37.46
O=CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024548	0	29	-1.0	-41.10	269.02	1.46	-39.64
O=CC1=CNC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C12	REAL250005024549	0	30	-1.0	-49.71	274.38	0.86	-48.85
O=C(NCC1=NC(=O)O[N-]1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL250005024550	0	31	-1.0	-44.81	279.12	-4.07	-48.88
O=C(NCC1=NC(=O)O[N-]1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL250005024551	0	35	-1.0	-39.99	299.16	0.05	-39.94
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O=C(CC(F)(F)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL250005024553	0	23	-1.0	-36.25	235.66	0.04	-36.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)N=CC=C2O1	REAL250005024554	0	26	-1.0	-36.94	264.00	0.12	-36.82
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C(F)(F)F)=N1	REAL250005024555	0	23	-1.0	-37.98	241.68	-3.20	-41.18
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=NC=C1F	REAL250005024556	0	23	-1.0	-37.69	232.45	-0.74	-38.43
COC1=CC=C(C=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024557	0	30	-1.0	-40.12	271.58	1.35	-38.77
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O=C(NCC1=NC(=O)O[N-]1)C1=CSN=C1Cl	REAL250005024559	0	20	-1.0	-35.41	220.28	-0.88	-36.29
CS(=O)(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024560	0	29	-1.0	-41.99	272.00	-3.98	-45.97
O=C(NCC1=NC(=O)O[N-]1)C1=CSC=C1Cl	REAL250005024561	0	21	-1.0	-37.39	226.18	0.49	-36.90
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1CCOCC1	REAL250005024562	0	35	-1.0	-37.44	290.85	1.00	-36.44
CCC(CC(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL250005024563	0	38	-1.0	-35.11	287.54	2.11	-33.00
CCC1=CC=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024564	0	30	-1.0	-37.22	261.49	2.49	-34.73
COCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005024565	0	28	-1.0	-38.32	263.00	-0.20	-38.52
CN1C=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL250005024566	0	31	-1.0	-40.43	274.79	2.79	-37.64
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CCC1	REAL250005024567	0	38	-1.0	-39.62	303.34	1.71	-37.91
COC1=CC=C(F)C(OC)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024568	0	32	-1.0	-42.32	292.51	-0.09	-42.41
COC1=CC=NC(OC)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024569	0	31	-1.0	-44.36	281.13	-2.96	-47.32
COC(=O)C1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024570	0	30	-1.0	-38.24	278.16	-0.66	-38.90
COC(=O)[C@@H]1O[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C[C@H]1C	REAL250005024571	0	34	-1.0	-41.67	298.25	1.21	-40.46
O=C(C=CC1=CC=C(Cl)S1)NCC1=NC(=O)O[N-]1	REAL250005024572	0	25	-1.0	-36.47	262.91	1.93	-34.54
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2CCOCC2)C=C1	REAL250005024573	0	35	-1.0	-41.39	299.15	-0.34	-41.73
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCC1=NC(=O)O[N-]1)OC2=O	REAL250005024574	0	37	-1.0	-42.09	298.72	1.60	-40.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)O1	REAL250005024575	0	34	-1.0	-37.87	302.15	3.59	-34.28
O=C(NCC1=NC(=O)O[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL250005024576	0	32	-1.0	-43.12	281.25	-0.57	-43.69
O=C(CC1CCC(F)(F)CC1)NCC1=NC(=O)O[N-]1	REAL250005024577	0	33	-1.0	-36.31	276.70	2.13	-34.18
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024578	0	34	-1.0	-37.00	295.07	3.74	-33.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)O1	REAL250005024579	0	24	-1.0	-38.69	239.97	0.14	-38.55
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=CO1	REAL250005024580	0	23	-1.0	-40.11	229.69	-3.36	-43.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C#CCO)=C1	REAL250005024581	0	30	-1.0	-40.55	281.60	-0.14	-40.69
O=C(CCCN1C=NC=N1)NCC1=NC(=O)O[N-]1	REAL250005024582	0	29	-1.0	-44.30	264.39	1.94	-42.36
CC1=C(C=O)C(C)=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005024583	0	30	-1.0	-41.67	267.07	-0.18	-41.85
O=C(CN1CCNC(=O)C1)NCC1=NC(=O)O[N-]1	REAL250005024584	0	30	-1.0	-42.98	253.70	-5.22	-48.20
COC1=CC(CO)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024585	0	32	-1.0	-42.67	281.25	-1.07	-43.74
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=NN1	REAL250005024587	0	24	-1.0	-39.26	243.56	-1.61	-40.87
CC1CCC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CN2C1	REAL250005024588	0	34	-1.0	-43.96	289.25	1.79	-42.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=CC=NC=C1	REAL250005024589	0	33	-1.0	-39.41	290.39	2.87	-36.54
CC1=NC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024590	0	27	-1.0	-37.83	262.93	0.21	-37.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=CC=NN21	REAL250005024591	0	26	-1.0	-43.37	241.44	0.26	-43.11
NC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024592	0	30	-1.0	-40.96	277.56	-3.22	-44.18
O=CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024593	0	23	-1.0	-43.25	237.94	-0.10	-43.35
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN=C1Cl	REAL250005024594	0	22	-1.0	-40.19	225.81	-2.08	-42.27
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=NN2C=C1	REAL250005024595	0	26	-1.0	-40.76	245.75	0.02	-40.74
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N(C)C1=O	REAL250005024596	0	28	-1.0	-38.95	253.28	-0.20	-39.15
CC1=C(C)C(=O)N(CCC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005024597	0	34	-1.0	-41.11	308.65	0.36	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1CC2CSCC(C1)C2=O	REAL250005024598	0	34	-1.0	-38.07	281.67	1.27	-36.80
CC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL250005024599	0	27	-1.0	-35.06	256.31	-0.91	-35.97
O=CC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024600	0	30	-1.0	-40.38	278.81	1.96	-38.42
O=CC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005024601	0	26	-1.0	-37.11	254.35	0.90	-36.21
CN1CCOC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL250005024602	0	34	-1.0	-38.43	286.21	-0.36	-38.79
CC1CCN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C1	REAL250005024603	0	34	-1.0	-44.39	289.25	1.81	-42.58
CC(C)(CN1CCOCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024604	1	39	-1.0	-35.96	305.54	-1.02	-36.98
O=C(CC1=CC=CC2=CN=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005024610	0	32	-1.0	-40.42	283.55	2.09	-38.33
O=C(NCC1=NC(=O)O[N-]1)C1=CN2CCOCC2=N1	REAL250005024611	0	29	-1.0	-44.32	259.37	-1.15	-45.47
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C(F)C=C1	REAL250005024612	0	31	-1.0	-37.89	282.11	1.69	-36.20
O=C(NCC1=NC(=O)O[N-]1)C1=NC(C2CC2)=CS1	REAL250005024613	0	27	-1.0	-38.40	259.17	0.17	-38.23
CC(=O)N[C@@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005024614	0	33	-1.0	-37.24	275.20	-1.28	-38.52
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)NC(C2CC2)=C1	REAL250005024615	0	36	-1.0	-40.63	308.90	3.17	-37.46
CC(C)(C)OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024616	0	36	-1.0	-38.49	304.54	1.43	-37.06
CC(=O)N1CCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024617	0	31	-1.0	-46.30	267.45	-0.51	-46.81
NC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024618	0	29	-1.0	-49.45	259.75	-3.02	-52.47
O=C(CC1=CC2=CC=NC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005024619	0	32	-1.0	-39.59	286.76	2.21	-37.38
N#CC1=CC=C(COCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024620	0	32	-1.0	-41.08	301.08	2.51	-38.57
COC1=CC(COCC(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005024621	0	34	-1.0	-42.01	307.32	-1.17	-43.18
COC1=CC=C(COCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024622	0	34	-1.0	-41.60	307.27	-1.19	-42.79
O=C(COCC1=CC(=O)NC=C1)NCC1=NC(=O)O[N-]1	REAL250005024623	0	31	-1.0	-54.10	282.78	-0.87	-54.97
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL250005024624	0	31	-1.0	-37.36	273.75	1.81	-35.55
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1F	REAL250005024625	0	27	-1.0	-38.97	252.24	1.84	-37.13
CSC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024626	0	29	-1.0	-37.41	288.48	2.51	-34.90
CC(=O)N[C@H](CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024627	0	36	-1.0	-36.42	292.57	-0.87	-37.29
CNC1=NC(C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024628	0	31	-1.0	-36.97	269.48	0.20	-36.77
CC1=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C=C1	REAL250005024629	0	30	-1.0	-45.11	272.80	2.17	-42.94
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCCC2)=N1	REAL250005024630	0	34	-1.0	-37.66	292.72	-0.98	-38.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CC=C2S1	REAL250005024631	0	26	-1.0	-39.70	255.13	0.57	-39.13
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C2C=CC=CN21	REAL250005024632	0	27	-1.0	-45.08	248.46	1.57	-43.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1CC1CCC1	REAL250005024633	0	34	-1.0	-34.79	288.33	1.83	-32.96
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=NN1	REAL250005024634	0	27	-1.0	-38.92	265.23	-0.86	-39.78
CC(C)C1=NOC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024635	0	29	-1.0	-35.54	259.92	0.40	-35.14
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024636	0	27	-1.0	-37.33	252.00	1.51	-35.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1C(=O)CC2	REAL250005024637	0	30	-1.0	-47.36	263.05	3.54	-43.82
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CC1(Br)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024641	0	24	-1.0	-34.08	234.02	0.83	-33.25
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CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCO1	REAL250005024644	0	37	-1.0	-38.27	289.73	1.85	-36.42
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CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL250005024646	0	30	-1.0	-43.58	272.63	1.02	-42.56
CC1OC(C)C(C(=O)NCC2=NC(=O)O[N-]2)C1C	REAL250005024647	0	34	-1.0	-35.90	267.50	-0.08	-35.98
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CN1C(=O)CN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005024649	0	29	-1.0	-43.64	268.53	-1.32	-44.96
C[C@@H]1C[C@]1(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL250005024650	0	39	-1.0	-36.51	316.94	3.01	-33.50
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C(F)F)=C1	REAL250005024651	0	24	-1.0	-37.78	239.56	0.14	-37.64
CSCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024652	0	36	-1.0	-36.85	316.46	3.09	-33.76
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CSC=C1	REAL250005024653	0	28	-1.0	-36.25	264.40	2.03	-34.22
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O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(Cl)=C1Cl	REAL250005024655	0	23	-1.0	-34.93	244.35	0.18	-34.75
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CCOC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024658	0	37	-1.0	-37.92	318.51	2.76	-35.16
CC1=CN2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2=N1	REAL250005024659	0	34	-1.0	-41.26	287.84	1.80	-39.46
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CC1=CN2C=C(CC(=O)NCC3=NC(=O)O[N-]3)N=C2S1	REAL250005024661	0	30	-1.0	-47.08	284.20	2.37	-44.71
CC1(C(=O)NCC2=NC(=O)O[N-]2)COC2=CC=CC=C2O1	REAL250005024663	0	33	-1.0	-39.43	286.74	0.94	-38.49
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL250005024664	0	34	-1.0	-36.72	266.41	1.94	-34.78
COC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005024665	0	30	-1.0	-37.23	260.61	-0.71	-37.94
O=C(CC1CC2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL250005024666	0	32	-1.0	-41.39	280.68	1.87	-39.52
CC(C)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCNC1=O	REAL250005024667	0	37	-1.0	-43.30	296.70	-1.29	-44.59
O=C(CC1=CC=C(O)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005024668	0	28	-1.0	-38.85	272.80	-0.57	-39.42
CC1=CC(C)=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005024669	0	37	-1.0	-37.60	312.25	3.98	-33.62
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(F)(F)CC1	REAL250005024670	0	33	-1.0	-34.95	270.39	1.82	-33.13
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL250005024671	0	33	-1.0	-37.89	272.50	1.89	-36.00
CC1=CC=CC(COC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024672	0	37	-1.0	-39.31	321.42	3.48	-35.83
O=C(C=CC1=CC=C2NC=CC2=C1)NCC1=NC(=O)O[N-]1	REAL250005024673	0	32	-1.0	-40.44	286.99	2.28	-38.16
COC(=O)C1=COC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024674	0	31	-1.0	-40.98	295.05	1.12	-39.86
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CCCC2)N=C1	REAL250005024675	0	37	-1.0	-39.29	312.81	2.35	-36.94
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024676	0	31	-1.0	-38.78	281.36	-1.27	-40.05
COCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005024677	0	34	-1.0	-38.67	297.18	-0.79	-39.46
CC(=O)N1CCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024678	0	31	-1.0	-46.45	266.97	-0.53	-46.98
CC1(C)[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC=C1	REAL250005024679	0	37	-1.0	-36.18	305.60	4.08	-32.10
COC1=CC(C)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005024680	0	34	-1.0	-37.75	286.57	1.78	-35.97
O=C(CC1(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL250005024681	0	34	-1.0	-36.95	293.10	3.70	-33.25
CCC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC=C1	REAL250005024682	0	34	-1.0	-36.76	297.31	2.39	-34.37
COC1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024683	0	27	-1.0	-44.95	245.85	-0.09	-45.04
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL250005024684	0	29	-1.0	-39.05	256.05	-0.35	-39.40
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CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005024686	0	30	-1.0	-38.03	265.79	0.27	-37.76
N#CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024687	0	27	-1.0	-40.18	261.57	0.24	-39.94
COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1O	REAL250005024688	0	33	-1.0	-39.66	295.82	-0.61	-40.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CC=C2C=C1	REAL250005024689	0	29	-1.0	-41.09	262.20	1.44	-39.65
O=C(CCC1=CC=C(C(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005024690	0	33	-1.0	-38.24	301.31	3.47	-34.77
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C(F)F)=C1	REAL250005024691	0	26	-1.0	-39.51	250.34	0.19	-39.32
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=NC=CC=C12	REAL250005024692	0	28	-1.0	-44.11	264.04	-1.25	-45.36
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(NC2CC2)S1	REAL250005024693	0	29	-1.0	-37.45	277.48	-0.01	-37.46
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CC=CN2C=N1	REAL250005024694	0	26	-1.0	-54.60	246.14	1.50	-53.10
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C#N)C=C1	REAL250005024695	0	31	-1.0	-37.61	282.49	2.65	-34.96
CCOC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOC1	REAL250005024696	0	35	-1.0	-37.67	287.29	0.11	-37.56
CC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C(C)(C)C	REAL250005024697	0	38	-1.0	-35.98	285.68	2.07	-33.91
COC1=CC=CC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024698	0	37	-1.0	-39.66	306.27	1.96	-37.70
CC(C)(C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024699	0	39	-1.0	-36.86	317.59	4.06	-32.80
CCOC1COCCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024700	0	38	-1.0	-37.01	309.05	-0.01	-37.02
O=C(C=CCCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005024701	0	34	-1.0	-37.30	301.80	3.91	-33.39
O=C(C=CCOC1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005024702	0	36	-1.0	-38.73	307.62	-0.36	-39.09
O=C(C=CC1=CC=C(Cl)N=C1)NCC1=NC(=O)O[N-]1	REAL250005024703	0	27	-1.0	-38.46	267.41	0.90	-37.56
COC(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024704	0	31	-1.0	-39.46	296.57	1.30	-38.16
N#CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005024705	0	25	-1.0	-41.26	250.82	1.19	-40.07
CN1C=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=N1	REAL250005024706	0	34	-1.0	-41.09	301.10	2.33	-38.76
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C(C(F)F)=C1	REAL250005024707	0	30	-1.0	-39.24	278.65	0.36	-38.88
O=C(CC1=CN2C=C(F)C=CC2=N1)NCC1=NC(=O)O[N-]1	REAL250005024708	0	30	-1.0	-43.92	278.28	2.41	-41.51
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCNC1=O	REAL250005024709	0	31	-1.0	-41.27	260.85	-2.57	-43.84
CCOC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024710	0	36	-1.0	-40.93	305.15	2.21	-38.72
COC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL250005024711	0	33	-1.0	-37.26	291.89	2.24	-35.02
COC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005024712	0	27	-1.0	-40.27	252.40	-1.31	-41.58
CC(C)(C)N1C=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005024713	0	36	-1.0	-54.41	294.69	1.95	-52.46
CC1=CSC2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CN12	REAL250005024714	0	30	-1.0	-47.11	283.61	2.11	-45.00
O=C(CN1C=NC=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005024715	0	34	-1.0	-40.71	297.35	3.79	-36.92
CC1=NN(CC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005024716	0	33	-1.0	-37.47	284.04	1.11	-36.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN(C2CC2)C1=O	REAL250005024717	0	31	-1.0	-55.18	271.33	1.53	-53.65
O=C(CN1CCCCC(=O)C1=O)NCC1=NC(=O)O[N-]1	REAL250005024718	0	33	-1.0	-42.84	282.73	-0.11	-42.95
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCCCC(C1)C2=O	REAL250005024719	0	39	-1.0	-35.94	294.84	2.45	-33.49
CC1=CN=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024720	0	26	-1.0	-38.95	242.13	-0.13	-39.08
CC1=CC(F)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024721	0	26	-1.0	-35.77	238.82	-0.10	-35.87
O=C(CC1=NC(F)=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL250005024722	0	26	-1.0	-37.59	258.80	-0.12	-37.71
COC1=NSC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024723	0	24	-1.0	-37.82	237.61	-2.09	-39.91
C=CC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024724	0	32	-1.0	-47.44	289.63	0.48	-46.96
O=C(C=CC1=CC=CC(O)=C1)NCC1=NC(=O)O[N-]1	REAL250005024725	0	29	-1.0	-38.41	266.69	-0.62	-39.03
CCOC1CC2(CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024726	0	35	-1.0	-37.23	298.81	1.41	-35.82
NC(=O)[C@@H]1CC[C@H](CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024727	0	35	-1.0	-47.63	301.66	-2.29	-49.92
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C(F)F)N=C1	REAL250005024728	0	24	-1.0	-38.95	238.75	-1.06	-40.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=NC=N1	REAL250005024729	0	25	-1.0	-34.99	253.35	0.15	-34.84
CCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024730	0	30	-1.0	-36.76	278.09	2.41	-34.35
CCOCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024731	0	36	-1.0	-37.49	305.76	1.11	-36.38
O=C(CCCOC1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005024732	0	38	-1.0	-38.80	315.86	-0.17	-38.97
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C2CCCCN21	REAL250005024733	0	31	-1.0	-41.82	265.26	1.13	-40.69
CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CC2)=N1	REAL250005024734	0	34	-1.0	-38.65	297.29	1.83	-36.82
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1CCCO1	REAL250005024735	0	32	-1.0	-39.57	277.82	-1.69	-41.26
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)NN=C1Cl	REAL250005024736	0	28	-1.0	-38.84	273.71	-0.04	-38.88
COC(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL250005024737	0	36	-1.0	-38.43	306.74	1.43	-37.00
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCOC1	REAL250005024738	0	29	-1.0	-38.63	255.02	-1.06	-39.69
O=C(CCC1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005024739	0	36	-1.0	-37.71	309.65	4.66	-33.05
CC(CCC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024740	0	36	-1.0	-37.66	311.22	3.90	-33.76
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005024741	0	36	-1.0	-35.39	297.54	3.36	-32.03
COCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005024742	0	31	-1.0	-36.20	279.87	1.00	-35.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CC=C2)=C1	REAL250005024743	0	31	-1.0	-36.50	279.51	3.16	-33.34
O=C(NCC1=NC(=O)O[N-]1)C1CCC12CCOCC2	REAL250005024744	0	35	-1.0	-38.09	280.27	0.43	-37.66
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CN=C2N=C1	REAL250005024745	0	26	-1.0	-41.44	242.65	2.16	-39.28
CCOC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL250005024746	0	38	-1.0	-37.12	311.49	0.65	-36.47
CCOC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL250005024747	0	37	-1.0	-36.37	303.37	2.57	-33.80
CC1(C)CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2O1	REAL250005024748	0	35	-1.0	-38.92	298.47	2.28	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL250005024749	0	26	-1.0	-48.97	255.95	1.87	-47.10
COC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024750	0	32	-1.0	-41.20	296.36	0.56	-40.64
CC(=O)NC1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024751	0	30	-1.0	-40.24	268.86	-1.29	-41.53
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CC(C)(C)OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024845	0	37	-1.0	-38.62	301.49	2.18	-36.44
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CC(C)OC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005024847	0	34	-1.0	-35.97	280.98	0.32	-35.65
CO[C@]12CCC[C@@]1(C(=O)NCC1=NC(=O)O[N-]1)CCO2	REAL250005024848	0	36	-1.0	-39.91	286.85	0.97	-38.94
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COC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024850	0	30	-1.0	-41.74	264.55	0.57	-41.17
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024851	0	37	-1.0	-41.58	319.44	1.64	-39.94
COC(=O)[C@@H]1CO[C@H](CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024852	0	37	-1.0	-40.62	318.14	0.52	-40.10
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CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024854	0	39	-1.0	-39.37	322.16	2.69	-36.68
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CC1(C)CCC2=C(C1)C(C(=O)NCC1=NC(=O)O[N-]1)=NO2	REAL250005024858	0	36	-1.0	-40.39	297.39	1.98	-38.41
CCC1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024859	0	30	-1.0	-35.70	264.97	0.13	-35.57
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CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL250005024861	0	27	-1.0	-39.88	268.91	0.85	-39.03
CC(C)(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005024862	0	32	-1.0	-39.78	283.89	-1.71	-41.49
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CC1(C)COC(CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024865	0	37	-1.0	-36.90	304.13	0.96	-35.94
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL250005024866	0	32	-1.0	-36.69	267.26	1.41	-35.28
CC(C)(C)C12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C2	REAL250005024867	0	37	-1.0	-35.53	306.65	3.10	-32.43
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CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005024871	0	33	-1.0	-50.97	283.92	0.26	-50.71
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CN1N=CC2=CC(CC(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005024874	0	33	-1.0	-40.88	295.10	1.71	-39.17
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CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C(C)(C)C)O1	REAL250005024878	0	36	-1.0	-36.80	305.50	2.58	-34.22
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CN1N=C(C2CC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024880	0	31	-1.0	-35.79	273.62	0.87	-34.92
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL250005024881	0	29	-1.0	-35.21	275.46	1.13	-34.08
COC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024882	0	26	-1.0	-41.70	245.55	-4.11	-45.81
CC1=CC(C#N)=CC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024883	0	31	-1.0	-36.96	284.60	2.33	-34.63
CCC1=C(C)C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005024884	0	33	-1.0	-51.09	283.48	0.10	-50.99
COC1=CC=CN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL250005024885	0	31	-1.0	-45.88	274.72	1.43	-44.45
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CC1=CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C(=O)N1	REAL250005024887	0	29	-1.0	-51.14	268.63	-1.66	-52.80
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N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL250005024892	0	32	-1.0	-37.51	267.58	1.45	-36.06
CCOC(=O)N(C)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024893	0	37	-1.0	-42.98	320.37	0.79	-42.19
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O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL250005024898	0	31	-1.0	-36.52	283.71	3.13	-33.39
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CC1=CC(O)=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024902	0	31	-1.0	-38.03	273.51	-0.64	-38.67
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CC1(C)OC[C@H](C=CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024906	0	33	-1.0	-37.31	289.28	-0.28	-37.59
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CN1C(=O)CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024908	0	31	-1.0	-39.28	259.98	-0.72	-40.00
CS(=O)(=O)CC1(C(=O)NCC2=NC(=O)O[N-]2)COC1	REAL250005024909	0	31	-1.0	-52.09	276.93	-3.25	-55.34
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](CN2C=CN=C2)O1	REAL250005024910	0	35	-1.0	-44.11	304.76	2.62	-41.49
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CC(C)CN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024912	0	33	-1.0	-42.93	285.23	1.25	-41.68
O=C(CCCCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005024913	0	36	-1.0	-36.83	310.14	4.10	-32.73
CC1(C)COC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024914	0	34	-1.0	-38.84	282.47	0.87	-37.97
O=C(CCN1CCC(F)C1)NCC1=NC(=O)O[N-]1	REAL250005024915	1	32	-1.0	-37.40	272.81	-1.15	-38.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(CO)=C1	REAL250005024916	0	27	-1.0	-38.50	247.10	-3.27	-41.77
COC(=O)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005024917	0	26	-1.0	-46.00	265.66	-1.16	-47.16
CCNC1=CC=C(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024918	0	35	-1.0	-37.44	293.70	1.72	-35.72
CC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1O	REAL250005024919	0	27	-1.0	-42.31	247.51	-1.43	-43.74
CN(C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024920	0	32	-1.0	-38.02	283.44	-1.21	-39.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCCC2)O1	REAL250005024922	1	36	-1.0	-37.78	307.66	-0.20	-37.98
CC(=O)NC1=CN=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024923	0	30	-1.0	-37.22	267.30	-1.43	-38.65
CCCCC(O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024926	0	36	-1.0	-36.21	302.80	-0.61	-36.82
CCN1N=C(C2CC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024927	0	34	-1.0	-35.77	294.95	1.73	-34.04
CC1=CN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2N=C1	REAL250005024928	0	29	-1.0	-46.83	266.70	0.60	-46.23
O=C(CC1CCC2(CCC2)O1)NCC1=NC(=O)O[N-]1	REAL250005024929	0	35	-1.0	-39.96	289.91	1.79	-38.17
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2(CCC2)C1	REAL250005024930	0	35	-1.0	-35.60	282.62	0.76	-34.84
O=C(NCC1=NC(=O)O[N-]1)C1CCC=CCCC1	REAL250005024931	0	34	-1.0	-34.98	264.25	2.21	-32.77
CN1N=C2CCCC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024932	0	31	-1.0	-38.70	271.90	0.55	-38.15
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005024933	0	32	-1.0	-46.67	286.15	2.89	-43.78
CC1=CN=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024934	0	26	-1.0	-36.10	238.99	-0.10	-36.20
O=C(NCC1=NC(=O)O[N-]1)C1CC2(C1)CC(F)(F)C2	REAL250005024935	0	31	-1.0	-36.93	274.56	2.06	-34.87
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1C(=O)NCCC2	REAL250005024936	0	32	-1.0	-47.95	279.64	-1.09	-49.04
N#CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=CC=C21	REAL250005024937	0	29	-1.0	-38.69	274.28	1.40	-37.29
CNC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005024938	0	29	-1.0	-38.77	268.45	0.37	-38.40
CCSC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024939	0	34	-1.0	-39.13	304.69	3.48	-35.65
CC1=NC(C)=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024940	0	29	-1.0	-38.64	272.00	0.22	-38.42
O=C(COCC1=CC=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005024941	0	30	-1.0	-40.02	272.99	0.42	-39.60
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024942	0	33	-1.0	-38.10	294.19	-0.77	-38.87
CCN1C=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024943	0	28	-1.0	-37.41	264.88	1.88	-35.53
CC1C2=CNN=C2CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024944	0	34	-1.0	-40.91	276.84	-0.01	-40.92
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCSC1	REAL250005024945	0	29	-1.0	-35.22	253.23	-0.43	-35.65
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCS(=O)(=O)C1	REAL250005024946	0	31	-1.0	-42.02	272.52	-4.17	-46.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1C(F)F	REAL250005024947	0	26	-1.0	-40.20	241.81	0.20	-40.00
CC(C)(C)OC(=O)NOCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024948	0	35	-1.0	-43.77	304.67	-0.78	-44.55
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024949	0	33	-1.0	-43.82	284.39	1.51	-42.31
CC12CC3CC(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C3)C2	REAL250005024950	0	41	-1.0	-35.95	306.11	3.49	-32.46
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCCC2)CC1	REAL250005024951	0	37	-1.0	-36.33	290.94	3.30	-33.03
COC1=CC=CC(C(F)F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024952	0	31	-1.0	-44.02	281.79	1.37	-42.65
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1CC2	REAL250005024953	0	35	-1.0	-36.86	280.61	2.11	-34.75
COC1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN21	REAL250005024954	0	31	-1.0	-45.89	277.92	-0.45	-46.34
COC(=O)C1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024955	0	30	-1.0	-37.49	280.17	0.57	-36.92
CC1CCC2=C(C1)C(C(=O)NCC1=NC(=O)O[N-]1)=NN2	REAL250005024956	0	34	-1.0	-41.85	286.07	0.48	-41.37
CC1CCC2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL250005024956	1	34	-1.0	-36.15	284.95	0.54	-35.61
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024957	0	32	-1.0	-37.39	271.14	-0.05	-37.44
CCC1=NC(C)=C(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005024958	0	37	-1.0	-39.61	313.71	1.31	-38.30
O=C(CC(F)(F)C(F)F)NCC1=NC(=O)O[N-]1	REAL250005024959	0	23	-1.0	-41.06	229.92	-0.06	-41.12
NC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024960	0	31	-1.0	-44.47	266.19	-2.74	-47.21
O=C(NCC1=NC(=O)O[N-]1)C1=NSC2=CC=CC=C21	REAL250005024961	0	26	-1.0	-40.96	251.83	1.05	-39.91
CC(C)(C)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005024962	0	40	-1.0	-44.84	311.41	1.49	-43.35
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005024963	0	34	-1.0	-37.54	294.08	3.86	-33.68
CC(=O)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024964	0	28	-1.0	-41.05	256.77	-0.35	-41.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCOC2)NC1=O	REAL250005024965	0	32	-1.0	-50.56	277.15	-1.75	-52.31
COC1=CC(OC)=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024966	0	30	-1.0	-36.75	278.59	-4.46	-41.21
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCS1(=O)=O	REAL250005024967	0	30	-1.0	-44.99	263.52	-1.37	-46.36
N#CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005024968	0	22	-1.0	-40.36	230.72	0.41	-39.95
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCC(=O)C2=C1	REAL250005024969	0	30	-1.0	-44.11	271.54	-0.47	-44.58
CC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005024970	0	32	-1.0	-37.81	278.59	2.17	-35.64
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=N2)=NO1	REAL250005024971	0	31	-1.0	-42.77	285.42	0.64	-42.13
CCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL250005024972	0	34	-1.0	-42.29	298.81	1.68	-40.61
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024973	0	36	-1.0	-41.89	290.73	2.38	-39.51
COC1=CC=CC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024974	0	31	-1.0	-38.24	284.86	1.12	-37.12
CC1=CC(C#N)=CC(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024975	0	34	-1.0	-37.77	300.60	3.13	-34.64
CC1=NNC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C12	REAL250005024976	0	30	-1.0	-40.64	267.52	0.44	-40.20
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2(CCCC2)C1	REAL250005024977	0	38	-1.0	-35.70	296.89	1.33	-34.37
CN(CC(=O)NCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1O	REAL250005024978	1	36	-1.0	-37.38	290.31	-3.33	-40.71
O=C(CC1=NN=C(C2CC2)N1)NCC1=NC(=O)O[N-]1	REAL250005024979	0	30	-1.0	-46.41	271.35	0.50	-45.91
O=C(CC1=NNC(C2CC2)=N1)NCC1=NC(=O)O[N-]1	REAL250005024979	1	30	-1.0	-42.72	272.61	-0.05	-42.77
O=C(CN1N=NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005024980	0	29	-1.0	-43.81	269.08	-0.20	-44.01
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1C#N	REAL250005024981	0	31	-1.0	-35.26	280.17	2.44	-32.82
CCCCCC(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024982	0	36	-1.0	-37.59	309.20	-0.43	-38.02
CCNC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024983	0	31	-1.0	-37.72	284.33	-0.32	-38.04
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(NC2CC2)=N1	REAL250005024984	0	32	-1.0	-37.53	294.54	0.61	-36.92
C=CCNC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005024985	0	29	-1.0	-37.34	280.07	-0.39	-37.73
COC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC=C1	REAL250005024986	0	32	-1.0	-38.76	284.46	0.29	-38.47
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005024987	0	32	-1.0	-38.22	280.76	0.79	-37.43
CC1=CC(C)=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005024988	0	33	-1.0	-47.79	288.31	-0.23	-48.02
CNC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024989	0	33	-1.0	-48.44	292.36	-1.44	-49.88
CC(C)(NC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024990	0	35	-1.0	-35.47	286.32	1.12	-34.35
O=C(CC1(O)CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005024991	0	32	-1.0	-35.02	261.22	-2.37	-37.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC=CC2=N1	REAL250005024992	0	27	-1.0	-46.04	249.67	-0.68	-46.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=CC=C2N1	REAL250005024992	1	27	-1.0	-36.27	247.01	-0.74	-37.01
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCCC2)=N1	REAL250005024993	0	37	-1.0	-38.64	308.79	1.98	-36.66
CC1CCC(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024994	0	41	-1.0	-37.27	326.28	3.27	-34.00
CC(SC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024995	0	31	-1.0	-36.23	289.26	2.73	-33.50
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)SC=C1	REAL250005024996	0	24	-1.0	-41.41	240.25	1.05	-40.36
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005024997	0	37	-1.0	-36.66	319.36	4.75	-31.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=N2)O1	REAL250005024998	0	30	-1.0	-43.80	283.49	-0.33	-44.13
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=N2)N=C1	REAL250005024999	0	30	-1.0	-41.22	279.21	1.54	-39.68
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005025000	0	30	-1.0	-37.31	281.21	2.84	-34.47
O=C(CC1=CC=C(O)C(O)=C1)NCC1=NC(=O)O[N-]1	REAL250005025001	0	29	-1.0	-41.60	267.52	-3.20	-44.80
O=C(CN1CCC(CO)CC1)NCC1=NC(=O)O[N-]1	REAL250005025003	0	36	-1.0	-38.66	292.80	-3.54	-42.20
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C=O	REAL250005025004	0	26	-1.0	-45.65	249.39	-1.64	-47.29
O=C(NCC1=NC(=O)O[N-]1)C1=CS(=O)(=O)CCC1	REAL250005025005	0	28	-1.0	-44.90	255.11	-2.70	-47.60
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC1)N=N2	REAL250005025006	0	30	-1.0	-36.09	259.73	-4.10	-40.19
CC1CN2CCN1CC2C(=O)NCC1=NC(=O)O[N-]1	REAL250005025007	1	35	-1.0	-36.02	271.17	-3.91	-39.93
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCC(O)C2=C1	REAL250005025008	0	32	-1.0	-43.05	278.92	-2.88	-45.93
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CNC2=CC=C1F	REAL250005025009	0	27	-1.0	-50.28	257.24	0.60	-49.68
CC1=NN(CCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005025010	0	36	-1.0	-42.21	312.19	1.59	-40.62
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC2=CC=CN=C21	REAL250005025011	0	28	-1.0	-48.44	257.60	0.13	-48.31
CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCS(=O)(=O)N1	REAL250005025012	0	32	-1.0	-47.23	277.10	-4.07	-51.30
CC1=CC=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005025013	0	31	-1.0	-40.40	276.13	3.27	-37.13
CC(C)C1CC(C(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005025014	0	37	-1.0	-35.73	296.99	1.01	-34.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCOC2	REAL250005025015	0	32	-1.0	-38.17	269.25	1.13	-37.04
O=C(CC1CCCC1(F)F)NCC1=NC(=O)O[N-]1	REAL250005025016	0	30	-1.0	-35.85	259.91	1.47	-34.38
COC1(C(=O)NCC2=NC(=O)O[N-]2)CS(=O)(=O)C1	REAL250005025017	0	28	-1.0	-41.92	256.38	-4.01	-45.93
O=C(CC1CCC(C2CC2)O1)NCC1=NC(=O)O[N-]1	REAL250005025018	0	35	-1.0	-39.72	294.61	2.06	-37.66
COC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025019	0	30	-1.0	-41.71	271.41	-1.30	-43.01
O=C(NCC1=NC(=O)O[N-]1)C1CS(=O)(=O)CC(=O)N1	REAL250005025020	0	28	-1.0	-44.37	264.33	-6.30	-50.67
O=C(NCC1=NC(=O)O[N-]1)C1CC[C@@H]2C[C@@H]2CC1	REAL250005025021	0	34	-1.0	-35.13	269.72	2.54	-32.59
O=CC1=CNC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005025022	0	30	-1.0	-52.82	274.50	0.84	-51.98
COC(=O)C1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025023	0	30	-1.0	-37.55	282.30	1.78	-35.77
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C=O	REAL250005025024	0	27	-1.0	-46.54	252.37	0.14	-46.40
O=C(NCC1=NC(=O)O[N-]1)C1CC2(C1)CS(=O)(=O)C2	REAL250005025026	0	31	-1.0	-43.16	280.15	-2.24	-45.40
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C(F)(F)CO)N=N1	REAL250005025027	0	27	-1.0	-41.42	265.74	-4.93	-46.35
CC(C)N1C=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025028	0	30	-1.0	-41.50	263.13	0.98	-40.52
COC1=NSC(OC)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025029	0	28	-1.0	-41.33	274.23	-3.76	-45.09
CC1=CC=C(C#N)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025030	0	28	-1.0	-39.66	257.99	2.12	-37.54
O=C(NCC1=NC(=O)O[N-]1)C1(CCC2=CC=CC=C2)CC1	REAL250005025031	0	37	-1.0	-38.17	320.12	4.51	-33.66
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCOC2=CC=CC=C21	REAL250005025032	0	35	-1.0	-38.12	290.34	1.85	-36.27
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCCO1	REAL250005025033	0	35	-1.0	-39.02	295.25	1.92	-37.10
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCNC2=NN1	REAL250005025034	0	30	-1.0	-37.48	259.40	-1.78	-39.26
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=CC2=NO1	REAL250005025035	0	26	-1.0	-39.28	245.73	0.70	-38.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OC=NC2=C1	REAL250005025036	0	26	-1.0	-40.00	242.71	-2.04	-42.04
CC1=NNC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025037	0	30	-1.0	-37.87	268.98	-0.54	-38.41
CC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=NN1	REAL250005025037	1	30	-1.0	-39.29	268.93	-0.53	-39.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NNC=C2N=C1	REAL250005025038	0	26	-1.0	-41.77	241.46	-1.98	-43.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CO)N=C1	REAL250005025039	0	27	-1.0	-37.99	246.88	-3.27	-41.26
CC1(O)CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025040	0	37	-1.0	-37.27	290.12	-0.95	-38.22
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CN=C1F	REAL250005025041	0	23	-1.0	-40.45	241.94	-0.49	-40.94
CC(C)[C@H](NC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025042	0	32	-1.0	-37.64	269.49	-4.36	-42.00
CC1=CC(C=O)=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025043	0	30	-1.0	-38.25	273.41	0.05	-38.20
C=C(CCC(=O)OC)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025044	0	30	-1.0	-41.11	272.78	0.80	-40.31
COC(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005025045	0	27	-1.0	-43.94	265.60	1.51	-42.43
O=C(CC1=CC=CC2=NSN=C21)NCC1=NC(=O)O[N-]1	REAL250005025046	0	28	-1.0	-42.09	270.02	0.05	-42.04
COC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)C(=O)C2	REAL250005025047	0	37	-1.0	-40.51	295.23	0.08	-40.43
CC(O)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005025048	0	31	-1.0	-36.06	275.09	-0.68	-36.74
COC1=CC=C2NC=CC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025050	0	32	-1.0	-47.47	285.28	0.23	-47.24
O=C(CC1C=CS(=O)(=O)C1)NCC1=NC(=O)O[N-]1	REAL250005025051	0	28	-1.0	-44.21	259.43	-2.86	-47.07
CN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C=O	REAL250005025052	0	34	-1.0	-39.57	297.54	0.68	-38.89
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CNC(=O)C2=N1	REAL250005025054	0	27	-1.0	-55.72	256.95	-1.47	-57.19
O=C(NCC1=NC(=O)O[N-]1)C1=CSC2=CN=CN21	REAL250005025055	0	24	-1.0	-38.42	234.94	1.18	-37.24
CN1C=CN=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005025056	0	30	-1.0	-40.26	267.67	0.87	-39.39
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CCO)N=C1	REAL250005025057	0	28	-1.0	-39.38	259.11	-3.68	-43.06
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN=C1F	REAL250005025059	0	27	-1.0	-36.57	252.01	-0.20	-36.77
CC1=CC(Cl)=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025060	0	26	-1.0	-40.25	256.71	0.43	-39.82
CNC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025061	0	33	-1.0	-43.19	291.95	-1.41	-44.60
CC1=NN(CC(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025062	0	30	-1.0	-38.92	277.61	0.59	-38.33
CC(C)CN1C=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005025063	0	36	-1.0	-55.99	301.14	2.35	-53.64
CC1(C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025064	0	34	-1.0	-37.14	285.26	3.67	-33.47
CCC(C)(C)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025065	0	39	-1.0	-36.50	298.50	3.70	-32.80
CC(C)(C)CC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025066	0	38	-1.0	-35.69	281.59	1.88	-33.81
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CCSCC1	REAL250005025067	0	29	-1.0	-36.37	260.18	0.78	-35.59
CC(C)(C)CC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025068	0	39	-1.0	-36.56	304.97	3.86	-32.70
O=C(NCC1=NC(=O)O[N-]1)[C@]12C[C@H]1COC21CCC1	REAL250005025069	0	33	-1.0	-35.60	274.18	0.67	-34.93
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC2(CC1)OCCO2	REAL250005025070	0	39	-1.0	-37.95	304.85	0.55	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2)NC1=O	REAL250005025071	0	31	-1.0	-51.06	272.95	0.49	-50.57
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C=O)O1	REAL250005025072	0	26	-1.0	-38.76	246.21	0.25	-38.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CNC=CC2=N1	REAL250005025073	0	27	-1.0	-62.17	250.93	-0.67	-62.84
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)OC2=C(F)C=C1	REAL250005025074	0	30	-1.0	-42.01	279.74	2.14	-39.87
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL250005025075	0	28	-1.0	-39.45	261.29	0.41	-39.04
CC1=C(C)N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL250005025076	0	33	-1.0	-43.14	287.37	1.92	-41.22
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025077	0	31	-1.0	-38.50	277.19	0.74	-37.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL250005025078	0	33	-1.0	-41.25	292.95	2.77	-38.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CN2C=N1	REAL250005025079	0	27	-1.0	-42.27	250.37	2.58	-39.69
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C12	REAL250005025080	0	32	-1.0	-45.61	277.93	2.39	-43.22
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=COC2=C(F)C=C1	REAL250005025081	0	27	-1.0	-37.80	252.66	1.43	-36.37
C=CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005025082	0	37	-1.0	-35.23	282.15	2.51	-32.72
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=COC2=C(Cl)C=C1	REAL250005025083	0	27	-1.0	-37.54	262.98	1.88	-35.66
CCOC(=O)[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025084	0	30	-1.0	-37.80	273.77	1.13	-36.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1F	REAL250005025085	0	23	-1.0	-35.08	237.82	-0.20	-35.28
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC2=C1OCO2	REAL250005025086	0	27	-1.0	-42.10	257.56	-0.35	-42.45
O=C(NCC1=NC(=O)O[N-]1)C1=C2OC=CC2=CC(F)=C1	REAL250005025087	0	27	-1.0	-40.42	254.44	2.05	-38.37
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)OC2=CC=C1	REAL250005025088	0	30	-1.0	-39.54	273.33	2.09	-37.45
CC(C)N1C=CC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025089	0	33	-1.0	-43.30	287.98	0.88	-42.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CC=C2O1	REAL250005025090	0	26	-1.0	-39.95	247.21	-0.36	-40.31
CC1=C(C=CC(=O)NCC2=NC(=O)O[N-]2)SC=N1	REAL250005025091	0	27	-1.0	-37.84	260.45	0.02	-37.82
O=C(C=CC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL250005025092	0	28	-1.0	-36.35	272.38	2.76	-33.59
CC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005025093	0	29	-1.0	-38.96	264.06	0.65	-38.31
O=C(C=CC1=CN=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005025095	0	27	-1.0	-36.93	256.97	0.53	-36.40
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1CC1=CC=CC=C1	REAL250005025096	0	35	-1.0	-42.01	302.70	3.34	-38.67
CC1=CC=CC=C1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025097	0	33	-1.0	-36.89	278.77	2.79	-34.10
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC=N1	REAL250005025098	0	26	-1.0	-37.01	245.70	-2.41	-39.42
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CSCC(=O)N1	REAL250005025099	0	26	-1.0	-37.15	245.55	-2.62	-39.77
CC(C)CN1NC(CC(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005025100	1	37	-1.0	-45.93	320.73	0.46	-45.47
CC1=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(=O)C=CO1	REAL250005025101	0	30	-1.0	-48.35	277.80	0.96	-47.39
CC(C)(C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL250005025102	0	38	-1.0	-36.55	297.64	2.01	-34.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)O1	REAL250005025103	0	24	-1.0	-36.52	246.52	0.28	-36.24
CC1(C)C(C)(C)C1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025104	0	36	-1.0	-36.23	274.41	2.04	-34.19
CCC1=NOC(COCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025105	0	32	-1.0	-43.56	293.28	-1.68	-45.24
O=C(CC1CCC(C(F)(F)F)O1)NCC1=NC(=O)O[N-]1	REAL250005025106	0	31	-1.0	-40.86	281.32	0.84	-40.02
CC1=CC2=CC=C(C)C(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL250005025107	0	36	-1.0	-41.19	310.20	4.22	-36.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CO2)=C1	REAL250005025108	0	30	-1.0	-38.62	278.07	1.06	-37.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL250005025109	0	31	-1.0	-46.67	288.73	0.53	-46.14
O=C(C=CCl)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005025110	0	28	-1.0	-41.29	275.57	-1.79	-43.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C1CCCC2	REAL250005025111	0	34	-1.0	-43.08	283.26	0.38	-42.70
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=COC2=CC=N1	REAL250005025112	0	26	-1.0	-42.31	243.57	-0.33	-42.64
CCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(=O)N1	REAL250005025113	0	33	-1.0	-39.15	290.47	0.04	-39.11
CCSC1=CNC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025114	0	31	-1.0	-50.49	284.86	0.09	-50.40
O=C(NCC1=NC(=O)O[N-]1)C12CCOC1CCCC2	REAL250005025115	0	35	-1.0	-39.83	269.43	0.75	-39.08
CCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025116	0	33	-1.0	-41.84	293.26	-0.36	-42.20
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025118	0	32	-1.0	-50.94	293.10	-2.37	-53.31
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CNC2=N1	REAL250005025119	0	29	-1.0	-53.52	263.34	-0.08	-53.60
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CN=C2N1	REAL250005025119	1	29	-1.0	-44.65	263.51	-0.08	-44.73
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C12	REAL250005025120	0	32	-1.0	-46.10	291.29	1.10	-45.00
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025121	0	32	-1.0	-50.11	293.08	-2.38	-52.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2CC2)S1	REAL250005025122	0	31	-1.0	-36.86	288.19	3.19	-33.67
COC1=CC(OC)=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025123	0	35	-1.0	-40.60	304.75	0.34	-40.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL250005025124	0	33	-1.0	-44.51	295.18	2.96	-41.55
O=C(CCCCCCCCC1CC1)NCC1=NC(=O)O[N-]1	REAL250005025125	0	45	-1.0	-35.68	367.84	5.77	-29.91
O=C(CC1CCCOCC1)NCC1=NC(=O)O[N-]1	REAL250005025126	0	34	-1.0	-36.21	269.67	0.53	-35.68
CC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CO2	REAL250005025127	0	35	-1.0	-36.10	278.53	0.47	-35.63
CC1CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025128	0	36	-1.0	-35.57	279.60	2.21	-33.36
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)SN=N1	REAL250005025129	0	28	-1.0	-33.59	262.77	-0.44	-34.03
CC(C)CC1(C(=O)NCC2=NC(=O)O[N-]2)COC1	REAL250005025131	0	34	-1.0	-38.31	272.52	0.03	-38.28
CN1N=CC2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)C(=O)N2	REAL250005025132	0	30	-1.0	-47.40	273.20	-1.96	-49.36
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=CNN=C21	REAL250005025133	0	31	-1.0	-42.33	263.96	-0.00	-42.33
CC1(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC1	REAL250005025134	0	34	-1.0	-37.25	287.59	3.53	-33.72
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1	REAL250005025135	0	30	-1.0	-35.79	274.50	2.41	-33.38
CC1=NOC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025136	0	29	-1.0	-38.06	264.08	0.70	-37.36
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2CCC2)=C1	REAL250005025137	0	30	-1.0	-38.81	269.98	1.23	-37.58
O=C(NCC1=NC(=O)O[N-]1)C1=NOC=C1C1=CC=CC=C1	REAL250005025138	0	30	-1.0	-41.98	277.76	2.06	-39.92
CC1(C)C(CC(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005025139	0	36	-1.0	-35.85	288.67	2.38	-33.47
CC1(C)CC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL250005025140	0	37	-1.0	-35.36	299.08	2.89	-32.47
NC1=CC=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025141	0	26	-1.0	-37.40	237.92	-0.67	-38.07
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1	REAL250005025142	0	31	-1.0	-36.51	290.90	2.01	-34.50
C[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL250005025143	0	39	-1.0	-35.25	301.73	2.77	-32.48
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CN=CC2=N1	REAL250005025144	0	26	-1.0	-42.86	246.44	-0.23	-43.09
CC(C)(C)C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025145	0	32	-1.0	-36.47	282.43	-0.34	-36.81
CC(C)(C)C1=NN=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005025145	1	32	-1.0	-40.37	281.72	-0.03	-40.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL250005025146	0	33	-1.0	-40.54	292.68	2.74	-37.80
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CCCO2)N=N1	REAL250005025147	0	34	-1.0	-45.28	300.62	-1.52	-46.80
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC)=N1	REAL250005025148	0	31	-1.0	-38.42	278.25	-2.21	-40.63
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005025149	0	38	-1.0	-35.84	297.11	2.33	-33.51
CC1(C)C2CCC(C2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025150	0	37	-1.0	-35.06	273.98	2.37	-32.69
NC(=O)C1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025151	0	31	-1.0	-45.09	280.30	-1.50	-46.59
CCC(=O)NC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025152	0	33	-1.0	-45.74	292.63	-1.01	-46.75
NC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005025153	0	26	-1.0	-38.95	254.96	-0.41	-39.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(O)=C1	REAL250005025154	0	25	-1.0	-36.20	238.35	-1.73	-37.93
CCOC(=O)C1CC12CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005025155	0	37	-1.0	-39.16	319.83	2.95	-36.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(O)=C1	REAL250005025156	1	25	-1.0	-35.91	248.15	-1.25	-37.16
CN1C=CC2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)N2	REAL250005025157	0	29	-1.0	-40.01	262.06	0.54	-39.47
COC(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005025158	0	34	-1.0	-39.24	308.84	0.82	-38.42
CCOC1(OCC)CC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025159	0	41	-1.0	-37.76	333.33	2.21	-35.55
O=C(CC(C(F)F)N1C=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005025160	0	30	-1.0	-36.43	272.00	0.33	-36.10
CC(C)[C@H](NC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025161	0	38	-1.0	-34.95	313.57	2.14	-32.81
COC1=CC=CC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025162	0	31	-1.0	-41.71	273.57	0.79	-40.92
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(F)(F)C1	REAL250005025163	0	30	-1.0	-37.11	259.86	1.33	-35.78
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CC=CCC1	REAL250005025164	0	33	-1.0	-37.88	279.57	2.67	-35.21
CC(C)C1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025165	0	33	-1.0	-37.04	296.08	3.34	-33.70
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CC1	REAL250005025166	0	28	-1.0	-36.56	265.81	1.97	-34.59
C=C(F)C1(CC(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005025167	0	31	-1.0	-35.99	263.87	1.75	-34.24
N#CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005025168	0	25	-1.0	-37.56	246.46	1.51	-36.05
CC1CN2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C(=O)N1	REAL250005025169	0	32	-1.0	-45.20	285.55	-2.86	-48.06
NC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005025170	0	27	-1.0	-39.83	253.26	-3.87	-43.70
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCOCC2)CC1	REAL250005025171	0	35	-1.0	-36.48	279.96	0.68	-35.80
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC(C1)S2	REAL250005025172	0	35	-1.0	-37.98	275.85	2.34	-35.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C(F)(F)F	REAL250005025173	0	28	-1.0	-34.76	258.64	-0.73	-35.49
O=C(CC(C(F)F)N1C=CN=C1)NCC1=NC(=O)O[N-]1	REAL250005025174	0	30	-1.0	-37.63	272.59	1.73	-35.90
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=CC2=C1OCC2	REAL250005025175	0	33	-1.0	-38.27	285.33	-0.10	-38.37
O=C(CC(O)C1CCCC1)NCC1=NC(=O)O[N-]1	REAL250005025176	0	34	-1.0	-37.93	277.21	0.02	-37.91
NC(=O)C1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025177	0	27	-1.0	-47.13	253.26	-3.90	-51.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=CN=C12	REAL250005025178	0	29	-1.0	-41.31	265.82	1.91	-39.40
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1	REAL250005025179	0	27	-1.0	-46.86	266.03	0.18	-46.68
CC1(OCC(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005025180	0	34	-1.0	-37.81	279.34	1.51	-36.30
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Cl)C=C1Cl	REAL250005025181	0	23	-1.0	-36.60	247.64	0.34	-36.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=N1	REAL250005025182	0	29	-1.0	-42.15	264.54	1.61	-40.54
O=C(CCC1CC(F)(F)C1)NCC1=NC(=O)O[N-]1	REAL250005025183	0	30	-1.0	-36.79	268.67	1.76	-35.03
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1F	REAL250005025184	0	26	-1.0	-42.01	245.11	-0.10	-42.11
O=C(COC1=CC=C(F)C=N1)NCC1=NC(=O)O[N-]1	REAL250005025185	0	27	-1.0	-37.66	258.58	-0.89	-38.55
CC1(C)COCC(CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005025186	0	35	-1.0	-39.37	288.16	0.01	-39.36
CC1(C)CC(C(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005025187	0	34	-1.0	-35.83	272.76	0.04	-35.79
CN1C=C(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)C2)C=N1	REAL250005025188	0	32	-1.0	-43.75	293.64	0.29	-43.46
O=C(CCCCC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL250005025189	0	29	-1.0	-36.57	268.36	1.46	-35.11
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C[C@@H](OC(F)F)C1	REAL250005025190	0	28	-1.0	-37.91	257.98	-0.64	-38.55
CN1N=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025191	0	27	-1.0	-36.07	255.92	-0.75	-36.82
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CSC=N1	REAL250005025192	0	23	-1.0	-39.18	239.27	-0.52	-39.70
CC(C)(C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025193	0	35	-1.0	-41.62	297.60	1.92	-39.70
CC(C)(C)N1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025194	0	33	-1.0	-34.07	264.56	2.75	-31.32
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1C1CC1	REAL250005025195	0	34	-1.0	-36.06	277.20	2.64	-33.42
CC1=NC2=C(CCCC2CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005025196	0	36	-1.0	-43.49	299.98	0.51	-42.98
COC(=O)[C@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025197	0	30	-1.0	-41.06	267.25	0.67	-40.39
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025198	0	39	-1.0	-41.06	331.05	3.23	-37.83
CCCCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005025199	0	32	-1.0	-36.90	293.96	1.24	-35.66
CCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005025200	0	26	-1.0	-40.48	251.80	-0.49	-40.97
O=C(NCC1=NC(=O)O[N-]1)C1CCC2CC2CC1	REAL250005025201	0	34	-1.0	-35.15	261.09	2.23	-32.92
O=C(CC1CCC=CCC1)NCC1=NC(=O)O[N-]1	REAL250005025202	0	34	-1.0	-35.45	271.70	2.41	-33.04
CC(=O)N1CSC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025203	0	29	-1.0	-42.97	263.42	0.21	-42.76
CC1(C)CCC=C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025204	0	34	-1.0	-36.81	273.05	2.24	-34.57
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCO1	REAL250005025205	0	35	-1.0	-39.02	285.40	-0.53	-39.55
O=C(NCC1=NC(=O)O[N-]1)[C@]12CCO[C@@H]1CCCCC2	REAL250005025206	0	38	-1.0	-37.16	271.54	0.88	-36.28
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL250005025207	0	31	-1.0	-38.89	285.58	3.17	-35.72
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL250005025208	0	27	-1.0	-35.89	260.90	-1.78	-37.67
CCC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CNC2=N1	REAL250005025209	0	32	-1.0	-53.12	283.96	0.80	-52.32
O=C(NCC1=NC(=O)O[N-]1)C(O)C1CCCCCCC1	REAL250005025210	0	40	-1.0	-35.60	297.68	0.75	-34.85
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2CCCCC2=N1	REAL250005025211	0	36	-1.0	-36.00	295.14	2.34	-33.66
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL250005025212	0	28	-1.0	-44.36	264.33	-6.30	-50.66
CN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005025213	0	35	-1.0	-38.70	302.27	-0.28	-38.98
CC(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C(C)C)O1	REAL250005025214	0	39	-1.0	-36.95	328.44	3.48	-33.47
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL250005025215	0	31	-1.0	-39.94	286.35	0.49	-39.45
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005025216	0	34	-1.0	-38.48	291.99	1.51	-36.97
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)F	REAL250005025217	0	27	-1.0	-40.63	258.86	-0.46	-41.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)F)=C1	REAL250005025218	0	27	-1.0	-35.95	260.28	2.00	-33.95
CC(C)CC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005025219	0	32	-1.0	-37.10	289.17	0.93	-36.17
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025220	0	39	-1.0	-43.23	317.19	2.77	-40.46
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2CCCC(=O)C2=C1	REAL250005025221	0	32	-1.0	-40.89	281.37	0.85	-40.04
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2SCCN12	REAL250005025222	0	26	-1.0	-36.31	246.33	0.19	-36.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)C(F)=C1	REAL250005025223	0	27	-1.0	-41.00	260.49	2.01	-38.99
CC(C)(C)CC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005025224	0	35	-1.0	-37.13	305.87	1.50	-35.63
CC1CC2CC2CC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025225	0	34	-1.0	-35.31	273.78	2.31	-33.00
CCCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025226	0	33	-1.0	-37.04	276.91	3.23	-33.81
COC(=O)C1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025227	0	33	-1.0	-43.12	291.93	2.39	-40.73
COC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CC2	REAL250005025228	0	38	-1.0	-34.92	291.99	0.85	-34.07
CC(=O)N1CSC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025229	0	29	-1.0	-44.94	261.49	0.54	-44.40
CN1C=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025230	0	27	-1.0	-58.68	245.38	0.54	-58.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SC=NC2=C1	REAL250005025231	0	26	-1.0	-38.64	252.13	0.43	-38.21
O=C(CC1=NOC(C2CC2)=C1)NCC1=NC(=O)O[N-]1	REAL250005025232	0	30	-1.0	-41.98	273.55	1.50	-40.48
O=C(C=CC1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005025233	0	28	-1.0	-38.17	269.92	2.67	-35.50
O=C(C=CC1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005025234	0	28	-1.0	-36.91	262.08	2.30	-34.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1O	REAL250005025235	1	25	-1.0	-38.26	236.18	-0.34	-38.60
CSC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025236	0	34	-1.0	-36.96	307.36	3.56	-33.40
CC1=NC=C([N+](=O)[O-])N1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025237	0	29	-1.0	-41.10	273.22	2.01	-39.09
CP(C)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025238	0	33	-1.0	-41.98	301.14	0.62	-41.36
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005025239	0	29	-1.0	-44.92	277.85	-3.32	-48.24
COC1=CC(C#N)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025240	0	29	-1.0	-38.89	269.22	2.00	-36.89
O=CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Cl)S1	REAL250005025241	0	23	-1.0	-42.34	249.02	0.42	-41.92
COC1=CC(=O)NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025242	0	28	-1.0	-41.16	253.09	-2.17	-43.33
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCCC(=O)C2=C1	REAL250005025243	0	33	-1.0	-42.64	289.62	0.27	-42.37
CC1=CC=CC(C(=O)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025244	0	29	-1.0	-37.44	263.06	1.55	-35.89
CCCCS(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025245	0	32	-1.0	-48.73	291.73	-1.79	-50.52
O=C(COC1CCCCCC1)NCC1=NC(=O)O[N-]1	REAL250005025246	0	37	-1.0	-37.28	294.42	2.17	-35.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCCCC2	REAL250005025247	0	37	-1.0	-37.84	293.43	3.86	-33.98
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250005025248	0	34	-1.0	-35.56	266.55	2.34	-33.22
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCCC1	REAL250005025249	0	37	-1.0	-35.22	280.89	1.27	-33.95
CC(=O)NC(C)(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005025250	0	36	-1.0	-34.49	284.87	-0.81	-35.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1CCC1	REAL250005025251	0	34	-1.0	-37.76	280.95	3.62	-34.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1C=CC=C1	REAL250005025252	0	32	-1.0	-39.57	280.79	4.16	-35.41
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C(F)C1=CC=CC=C1	REAL250005025253	0	36	-1.0	-37.44	299.67	3.38	-34.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1O	REAL250005025254	1	25	-1.0	-35.91	242.59	-0.28	-36.19
CC1(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL250005025255	0	34	-1.0	-36.64	287.57	3.53	-33.11
CC(C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005025256	0	33	-1.0	-36.92	294.75	2.89	-34.03
CC1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025257	0	34	-1.0	-38.80	300.10	2.62	-36.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CC2)C=C1	REAL250005025258	0	32	-1.0	-37.49	281.58	2.01	-35.48
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC2=NC=NC=C21	REAL250005025259	0	27	-1.0	-37.62	249.30	-0.54	-38.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CC(=O)C2)C=C1	REAL250005025260	0	33	-1.0	-40.28	289.57	2.74	-37.54
O=C(NCC1=NC(=O)O[N-]1)C1(O)CC(C2=CC=CC=C2)C1	REAL250005025261	0	35	-1.0	-35.94	297.43	0.47	-35.47
O=C(CCC1=C2C=CC=CC2=NN1)NCC1=NC(=O)O[N-]1	REAL250005025262	0	33	-1.0	-39.55	294.04	1.13	-38.42
O=C(CCC1=NNC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005025262	1	33	-1.0	-39.15	294.24	1.13	-38.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C([N+](=O)[O-])=NN1	REAL250005025263	0	23	-1.0	-33.41	246.29	-0.34	-33.75
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CNN=C2C=C1	REAL250005025264	0	26	-1.0	-41.89	244.44	-2.01	-43.90
O=C(NCC1=NC(=O)O[N-]1)C(O)C1(O)CCOCC1	REAL250005025265	0	33	-1.0	-35.22	269.25	-4.64	-39.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CO)C=N1	REAL250005025266	0	27	-1.0	-42.15	251.19	-3.37	-45.52
COC1=C(Cl)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025267	0	28	-1.0	-37.61	266.37	2.19	-35.42
CC1=CC=CC(NC(=O)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025268	0	31	-1.0	-38.37	280.00	-0.02	-38.39
CC(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C(C)C)N1	REAL250005025269	0	40	-1.0	-40.03	329.99	2.65	-37.38
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C2CCCCN12	REAL250005025270	0	34	-1.0	-45.76	286.93	1.75	-44.01
N#CC1=C2CCCCN2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025271	0	33	-1.0	-35.82	287.63	2.71	-33.11
CN1N=CC(Cl)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025272	0	27	-1.0	-38.57	263.39	-0.23	-38.80
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NNC(=O)N2C1	REAL250005025273	0	31	-1.0	-42.89	270.78	-1.13	-44.02
O=C(NCC1=NC(=O)O[N-]1)C1=CN2CCOCC2=C1	REAL250005025274	0	30	-1.0	-40.93	263.89	-0.12	-41.05
CCN1C(=O)NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025275	0	28	-1.0	-38.42	252.79	-1.32	-39.74
CC1=CC(C(=O)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005025276	0	29	-1.0	-35.13	268.34	1.58	-33.55
COC1=CN(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=CC1=O	REAL250005025277	0	34	-1.0	-49.69	297.96	1.18	-48.51
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1CC1	REAL250005025278	0	37	-1.0	-37.29	314.52	4.43	-32.86
O=C(CN1N=CC=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005025279	0	34	-1.0	-41.45	298.50	2.17	-39.28
O=C(CC1CCC2CC2C1)NCC1=NC(=O)O[N-]1	REAL250005025280	0	34	-1.0	-35.59	273.29	2.61	-32.98
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL250005025281	0	38	-1.0	-39.35	300.99	3.50	-35.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCCO	REAL250005025282	0	31	-1.0	-43.78	279.38	-3.19	-46.97
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C=CC2=CC=CC=C21	REAL250005025283	0	31	-1.0	-43.21	280.81	0.29	-42.92
O=C(CCC1=CC=C(CO)C=C1)NCC1=NC(=O)O[N-]1	REAL250005025284	0	34	-1.0	-38.63	299.96	-0.13	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(Cl)C=C1Cl	REAL250005025285	0	23	-1.0	-34.36	245.71	0.21	-34.15
CC1=CN=C2C(=C1)C=NN2CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025286	0	32	-1.0	-44.88	290.76	1.15	-43.73
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1(O)CCCCC1	REAL250005025287	0	40	-1.0	-35.87	303.94	0.34	-35.53
COC(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)NN=C1C	REAL250005025288	0	30	-1.0	-38.74	280.17	-1.28	-40.02
CC(C)C(O)C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025289	0	30	-1.0	-35.01	261.48	-0.93	-35.94
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C(O)C1=CC=CC=C1	REAL250005025290	0	31	-1.0	-36.62	283.54	0.03	-36.59
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=CN2C=N1	REAL250005025291	0	27	-1.0	-48.59	249.39	2.35	-46.24
CC1=CC=CN2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005025292	0	30	-1.0	-44.44	273.39	1.36	-43.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCNC(=O)C2=C1	REAL250005025293	0	32	-1.0	-45.55	280.70	-0.49	-46.04
CN1N=CC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL250005025294	0	29	-1.0	-37.94	265.28	-0.91	-38.85
CC1=CC2=CC=NC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025295	0	32	-1.0	-39.61	278.99	2.16	-37.45
CC(C)(C)OCCOCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005025296	0	40	-1.0	-37.56	331.04	0.16	-37.40
COC(=O)C1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CN1	REAL250005025297	0	34	-1.0	-41.97	308.81	0.95	-41.02
CN(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC=N1	REAL250005025298	0	31	-1.0	-38.19	281.17	-2.06	-40.25
CC1(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)CC1	REAL250005025299	0	29	-1.0	-39.89	268.50	-1.30	-41.19
CCOCCOCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005025300	0	34	-1.0	-37.60	296.74	-0.99	-38.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCC(=O)NC2=C1	REAL250005025301	0	32	-1.0	-40.28	280.96	0.23	-40.05
CC1=CC=CN2C(CC(=O)NCC3=NC(=O)O[N-]3)=CN=C12	REAL250005025302	0	33	-1.0	-43.63	293.68	2.70	-40.93
CC1(OCC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005025303	0	35	-1.0	-38.28	285.51	-0.25	-38.53
O=C(NCC1=NC(=O)O[N-]1)C1=C(CO)C2=CC=CC=C2O1	REAL250005025304	0	31	-1.0	-42.31	281.53	-1.21	-43.52
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1CCCO1	REAL250005025305	0	32	-1.0	-38.60	274.31	0.49	-38.11
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=CO1	REAL250005025306	0	34	-1.0	-40.96	309.45	3.46	-37.50
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCNC(=O)C1	REAL250005025307	0	31	-1.0	-41.34	259.67	-2.35	-43.69
CC1=CSC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025308	0	27	-1.0	-36.95	257.62	1.51	-35.44
CC(=O)N[C@@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL250005025309	0	36	-1.0	-37.23	292.25	-0.42	-37.65
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCCC2)=NO1	REAL250005025310	0	36	-1.0	-36.56	309.76	2.44	-34.12
CN1C=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCO2)C=N1	REAL250005025311	0	35	-1.0	-38.99	299.26	-0.42	-39.41
O=C(CC1=CC=C2OC(=O)NC2=C1)NCC1=NC(=O)O[N-]1	REAL250005025312	0	30	-1.0	-41.14	277.54	-0.76	-41.90
O=C(C#CC1CCCOC1)NCC1=NC(=O)O[N-]1	REAL250005025313	0	30	-1.0	-36.57	267.69	0.28	-36.29
C=CCCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025314	0	37	-1.0	-37.15	319.82	4.61	-32.54
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC2(F)F)CC1	REAL250005025315	0	34	-1.0	-35.95	290.25	2.77	-33.18
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CC2(F)F)C1	REAL250005025316	0	28	-1.0	-35.56	257.98	1.56	-34.00
CCOC(=O)C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025317	0	30	-1.0	-36.03	281.70	-0.99	-37.02
O=C(CSC1=CC=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005025318	0	27	-1.0	-38.64	262.35	0.61	-38.03
O=C(NCC1=NC(=O)O[N-]1)C1=CN2N=CN=C2C=C1	REAL250005025319	0	26	-1.0	-37.11	242.96	1.49	-35.62
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C=O)=C1	REAL250005025320	0	27	-1.0	-36.96	250.42	-0.87	-37.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2(O)COC2)C=C1	REAL250005025321	0	33	-1.0	-37.56	286.31	-1.83	-39.39
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL250005025322	0	24	-1.0	-38.21	257.80	-0.30	-38.51
O=C(NCC1=NC(=O)O[N-]1)C1=C2NCCCN2N=C1	REAL250005025323	0	30	-1.0	-41.40	261.58	-1.35	-42.75
CC1=NSC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL250005025324	0	25	-1.0	-37.52	239.04	-2.59	-40.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1CC1	REAL250005025325	0	31	-1.0	-37.85	264.96	3.11	-34.74
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2N=C1	REAL250005025326	0	35	-1.0	-39.50	303.34	2.78	-36.72
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCO2)CCCO1	REAL250005025327	0	36	-1.0	-36.61	294.18	-0.20	-36.81
O=C(C=CC1=NC=CS1)NCC1=NC(=O)O[N-]1	REAL250005025328	0	24	-1.0	-38.02	243.30	-0.41	-38.43
O=C(C=CC1=CC=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL250005025329	0	28	-1.0	-37.10	267.57	2.35	-34.75
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005025330	0	31	-1.0	-37.07	270.58	1.09	-35.98
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005025331	0	25	-1.0	-41.04	242.30	0.44	-40.60
O=C(NCC1=NC(=O)O[N-]1)C1C(F)(F)C12CCC2	REAL250005025332	0	28	-1.0	-36.54	254.48	1.62	-34.92
COCC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005025333	0	37	-1.0	-35.70	295.36	0.96	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CCl)=C1	REAL250005025334	0	27	-1.0	-37.82	259.67	2.32	-35.50
N#CC1=C(N)N(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005025335	0	27	-1.0	-41.03	261.84	-1.59	-42.62
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCO1	REAL250005025336	0	33	-1.0	-37.85	276.34	1.34	-36.51
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CNC(=O)C2=C1	REAL250005025337	0	27	-1.0	-47.14	257.05	-2.30	-49.44
COC(=O)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005025338	0	32	-1.0	-36.86	281.53	0.48	-36.38
CCCC(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC	REAL250005025339	0	32	-1.0	-39.72	274.56	1.90	-37.82
CC(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025340	0	37	-1.0	-40.06	302.11	0.05	-40.01
CN(C)C(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005025341	0	33	-1.0	-36.89	289.84	0.18	-36.71
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL250005025342	0	31	-1.0	-41.07	280.41	1.35	-39.72
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C(F)(F)F)N1	REAL250005025343	0	29	-1.0	-36.00	262.43	-2.00	-38.00
C[C@H](CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025344	0	39	-1.0	-35.31	303.69	3.21	-32.10
CC1=CC(COCC(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005025345	0	30	-1.0	-40.20	276.41	0.28	-39.92
CC1=CC=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C12	REAL250005025346	0	32	-1.0	-39.38	282.52	2.26	-37.12
CCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005025347	0	33	-1.0	-37.66	287.29	1.03	-36.63
CCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005025348	0	33	-1.0	-39.15	285.84	0.95	-38.20
COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005025349	0	35	-1.0	-38.05	302.59	2.07	-35.98
CC(C)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005025350	0	37	-1.0	-42.12	296.19	-0.63	-42.75
NC1=C(Cl)N=CN=C1NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005025351	0	29	-1.0	-35.93	277.14	-2.18	-38.11
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NN=C1C(F)(F)F	REAL250005025352	0	27	-1.0	-33.40	260.48	-0.89	-34.29
CC(CN1C=CN=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025354	0	30	-1.0	-37.28	263.46	1.81	-35.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC=C1N1C=CC=N1	REAL250005025355	0	30	-1.0	-43.87	272.75	0.67	-43.20
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CNC=N2)=N1	REAL250005025356	0	27	-1.0	-51.90	269.67	-0.61	-52.51
NS(=O)(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005025357	0	29	-1.0	-42.16	264.58	-4.91	-47.07
O=C(NCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1	REAL250005025358	0	30	-1.0	-37.58	263.81	2.06	-35.52
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005025359	0	33	-1.0	-36.42	291.91	2.39	-34.03
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CCCO1	REAL250005025360	0	34	-1.0	-39.28	273.41	0.94	-38.34
CC1=CC(Cl)=CC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025361	0	30	-1.0	-35.66	280.57	2.48	-33.18
CC(=O)N[C@H]1CC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025362	0	37	-1.0	-40.14	302.40	0.04	-40.10
O=C(NCC1=NC(=O)O[N-]1)C1CC2(C1)CC1(CCC1)C2	REAL250005025363	0	38	-1.0	-35.40	310.18	3.72	-31.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=NN21	REAL250005025364	0	27	-1.0	-46.20	246.30	1.13	-45.07
O=C(CON=C1CCCCCC1)NCC1=NC(=O)O[N-]1	REAL250005025365	0	37	-1.0	-39.77	304.15	2.32	-37.45
COC(=O)C1(C)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025366	0	33	-1.0	-40.54	286.07	1.15	-39.39
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC=CC2=NC=C1	REAL250005025367	0	26	-1.0	-37.68	250.92	0.55	-37.13
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1COC2	REAL250005025368	0	26	-1.0	-37.83	240.61	-1.52	-39.35
CC(C)N1C=NN=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025369	0	32	-1.0	-43.92	281.62	1.89	-42.03
C=CCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025370	0	31	-1.0	-37.29	268.87	3.01	-34.28
CC1(C)C2CCC1(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005025371	0	37	-1.0	-36.15	281.27	2.28	-33.87
CC(F)(F)C1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005025372	0	34	-1.0	-35.77	275.01	0.05	-35.72
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCO2)CCC1	REAL250005025373	0	35	-1.0	-34.85	286.32	0.85	-34.00
O=C(NCC1=NC(=O)O[N-]1)[C@]12CC(=O)N[C@H]1CCCC2	REAL250005025374	0	35	-1.0	-40.12	284.12	-1.23	-41.35
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CCCO1	REAL250005025375	0	39	-1.0	-38.72	307.79	1.27	-37.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCC2)N=C1	REAL250005025376	0	33	-1.0	-37.56	281.95	1.80	-35.76
CC1=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=N1	REAL250005025377	0	27	-1.0	-39.25	263.08	1.51	-37.74
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL250005025378	0	33	-1.0	-35.30	298.00	3.45	-31.85
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=CC(Cl)=C1	REAL250005025379	0	28	-1.0	-37.17	270.10	0.32	-36.85
CC1=CC=C2SC(C(=O)NCC3=NC(=O)O[N-]3)CC2=C1	REAL250005025380	0	32	-1.0	-38.40	290.70	3.24	-35.16
O=C(CC1=CC=C(C2CCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL250005025381	0	37	-1.0	-37.12	311.51	4.32	-32.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CC=C2)=N1	REAL250005025382	0	32	-1.0	-40.92	292.89	2.41	-38.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(O)C=CC=C2C=C1	REAL250005025383	0	31	-1.0	-40.07	277.18	0.54	-39.53
CC1=CC(C2CC2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025384	0	33	-1.0	-37.74	282.16	2.00	-35.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CNC(=O)NC2=C1	REAL250005025385	0	31	-1.0	-41.05	275.43	-1.88	-42.93
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=NC=C1	REAL250005025386	0	30	-1.0	-37.76	268.71	1.32	-36.44
CC1=CC=C(C(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025387	0	36	-1.0	-36.00	302.00	3.65	-32.35
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CN=CS1	REAL250005025388	0	23	-1.0	-36.20	241.77	-0.89	-37.09
CC1=C(C)C2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)N2)O1	REAL250005025389	0	31	-1.0	-38.05	276.72	0.47	-37.58
COC1=NOC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025390	0	27	-1.0	-40.06	253.68	-2.67	-42.73
COCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005025391	0	30	-1.0	-49.30	272.88	-2.70	-52.00
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL250005025392	0	27	-1.0	-37.52	262.49	-0.41	-37.93
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C)O1	REAL250005025393	0	30	-1.0	-37.23	266.19	1.44	-35.79
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CC2(F)F)N=C1	REAL250005025394	0	28	-1.0	-39.14	266.16	0.42	-38.72
CN1N=NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL250005025395	0	29	-1.0	-38.18	259.89	-0.70	-38.88
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005025396	0	30	-1.0	-36.93	266.19	1.44	-35.49
CCC(F)(F)C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025397	0	32	-1.0	-39.84	267.11	1.31	-38.53
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOC2)S1	REAL250005025398	0	31	-1.0	-38.20	285.47	-0.90	-39.10
CN1C=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025399	0	31	-1.0	-42.76	278.51	0.84	-41.92
COC1=CN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005025400	0	31	-1.0	-48.04	270.96	0.28	-47.76
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=C1NC=N2	REAL250005025401	0	31	-1.0	-36.35	260.85	1.32	-35.03
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=C1N=CN2	REAL250005025401	1	31	-1.0	-44.32	263.27	1.25	-43.07
O=C(NCC1=NC(=O)O[N-]1)C1CCN2N=CN=C2C1	REAL250005025402	0	30	-1.0	-38.88	261.44	1.02	-37.86
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1C(=O)NCC2	REAL250005025403	0	29	-1.0	-50.69	261.10	-0.93	-51.62
CN1C=CC(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)=N1	REAL250005025404	0	30	-1.0	-42.54	284.73	-0.15	-42.69
O=C(COCCC1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005025405	0	31	-1.0	-38.09	291.95	1.99	-36.10
COC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCOC1	REAL250005025406	0	35	-1.0	-38.16	289.61	-0.25	-38.41
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL250005025407	0	38	-1.0	-37.48	310.63	4.48	-33.00
CN1C=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005025408	0	31	-1.0	-40.83	274.75	2.81	-38.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C2OC=CC2=C1	REAL250005025409	0	27	-1.0	-39.06	252.99	1.47	-37.59
CC(=O)N[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025410	0	37	-1.0	-43.24	306.85	-0.38	-43.62
CCC(C)(C)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005025411	0	38	-1.0	-35.59	298.19	2.49	-33.10
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025412	0	34	-1.0	-36.92	295.07	3.75	-33.17
CC1=C(C)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N=N1	REAL250005025413	0	34	-1.0	-39.40	293.29	1.41	-37.99
O=C(NCC1=NC(=O)O[N-]1)C1CCCNS1(=O)=O	REAL250005025414	0	29	-1.0	-45.35	262.42	-4.88	-50.23
CC1OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1C	REAL250005025415	0	35	-1.0	-37.48	294.54	2.16	-35.32
CCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005025416	0	33	-1.0	-36.65	287.69	2.22	-34.43
CN1C=CC2=CC=NC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL250005025417	0	30	-1.0	-42.96	269.71	0.57	-42.39
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CCC2)OC=N1	REAL250005025418	0	30	-1.0	-40.45	265.85	-1.43	-41.88
O=C(CCC1=C2CCCCC2=NN1)NCC1=NC(=O)O[N-]1	REAL250005025419	0	37	-1.0	-37.81	309.78	1.27	-36.54
O=C(CCC1=NNC2=C1CCCC2)NCC1=NC(=O)O[N-]1	REAL250005025419	1	37	-1.0	-39.35	309.82	1.26	-38.09
O=C(C=CC1=CC=C(C(F)F)O1)NCC1=NC(=O)O[N-]1	REAL250005025420	0	28	-1.0	-39.82	272.89	1.51	-38.31
O=C(CCC1=CC=C(Cl)N=C1)NCC1=NC(=O)O[N-]1	REAL250005025421	0	29	-1.0	-37.69	278.86	1.18	-36.51
CC(C)(C)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025422	0	35	-1.0	-36.82	292.62	1.57	-35.25
O=C(C=C1C2CC3CC(C2)CC1C3)NCC1=NC(=O)O[N-]1	REAL250005025423	0	39	-1.0	-36.70	297.54	3.59	-33.11
CCCCCCCCCC=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025424	0	45	-1.0	-36.09	370.89	5.57	-30.52
O=C(NCC1=NC(=O)O[N-]1)C1CCCC12CCOCC2	REAL250005025425	0	38	-1.0	-38.07	291.93	0.99	-37.08
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NC(=O)C1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005025432	0	26	-1.0	-38.59	250.17	-5.70	-44.29
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CC1(C#CC(=O)NCC2=NC(=O)O[N-]2)CCCO1	REAL250005025479	0	30	-1.0	-38.01	269.86	0.24	-37.77
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NC(=O)C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025481	0	25	-1.0	-37.56	241.45	-5.83	-43.39
NC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1	REAL250005025481	1	25	-1.0	-43.14	241.45	-5.83	-48.97
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1C=NN=C1	REAL250005025482	0	32	-1.0	-39.50	279.18	3.21	-36.29
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CC1(C)C(O)CC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025485	0	34	-1.0	-38.12	280.00	-1.44	-39.56
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CCC(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005025491	0	39	-1.0	-37.19	319.55	4.33	-32.86
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=CS1	REAL250005025492	0	26	-1.0	-40.54	246.90	-0.39	-40.93
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O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2SC=CN12	REAL250005025494	0	24	-1.0	-37.16	236.02	0.67	-36.49
CC1=NC=C(CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005025495	0	29	-1.0	-37.30	273.85	0.48	-36.82
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2=CC=CC=C2C1	REAL250005025496	0	34	-1.0	-35.98	286.92	3.30	-32.68
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250005025497	0	30	-1.0	-37.34	284.28	2.82	-34.52
CC(C)(NC1=CC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025498	0	34	-1.0	-38.67	284.21	0.14	-38.53
CC1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CC=C12	REAL250005025499	0	32	-1.0	-41.75	277.17	2.12	-39.63
CCCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025500	0	30	-1.0	-42.90	269.56	0.43	-42.47
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CCC(C)N1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025503	0	33	-1.0	-35.89	281.37	0.97	-34.92
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C[C@H](CC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025505	0	26	-1.0	-34.19	239.40	0.41	-33.78
CC1=C(O)C=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005025506	0	31	-1.0	-37.48	263.64	-0.48	-37.96
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NC1=C2C=CN(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL250005025508	0	33	-1.0	-41.14	293.75	1.08	-40.06
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=NNN=C2)CCC1	REAL250005025509	0	33	-1.0	-39.16	282.85	-0.72	-39.88
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CNN=N2)CCC1	REAL250005025509	1	33	-1.0	-50.32	285.03	-0.62	-50.94
CC(C)(CC1=NNN=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025510	0	32	-1.0	-36.94	271.92	-1.19	-38.13
CC(C)(CC1=CNN=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025510	1	32	-1.0	-40.89	271.93	-1.13	-42.02
CC(=CN1C=CN=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025511	0	27	-1.0	-40.93	245.31	-0.38	-41.31
CCC(=O)N1CSC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025512	0	32	-1.0	-44.80	283.18	1.34	-43.46
O=C(NCC1=NC(=O)O[N-]1)C1(CC(F)F)CCC1	REAL250005025513	0	30	-1.0	-39.53	260.48	1.20	-38.33
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL250005025514	0	28	-1.0	-34.91	250.44	1.48	-33.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)O1	REAL250005025515	0	31	-1.0	-38.37	268.88	1.73	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CNN=C2)C=C1	REAL250005025516	0	31	-1.0	-40.55	278.15	1.03	-39.52
CC1=CC(F)=CC=C1C(O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025517	0	31	-1.0	-36.18	271.12	0.60	-35.58
CC1=CC=C2C(C(=O)NCC3=NC(=O)O[N-]3)=CNC2=C1	REAL250005025518	0	31	-1.0	-41.30	274.91	1.69	-39.61
CCC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005025519	0	35	-1.0	-37.35	286.41	1.80	-35.55
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COCC1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025521	0	27	-1.0	-36.45	254.70	-1.82	-38.27
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N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL250005025523	0	33	-1.0	-39.32	283.36	0.35	-38.97
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL250005025524	0	34	-1.0	-37.22	294.01	0.14	-37.08
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CN=C1	REAL250005025525	0	26	-1.0	-36.82	250.33	0.03	-36.79
O=C(NCC1=NC(=O)O[N-]1)C1CC2(C1)CCOC2	REAL250005025526	0	32	-1.0	-36.63	267.66	-0.16	-36.79
COCC1(CC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005025527	0	38	-1.0	-35.46	297.07	-0.95	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCCC2=N1	REAL250005025528	0	30	-1.0	-41.64	263.87	1.19	-40.45
CC1(C)CC(=O)NCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025529	0	34	-1.0	-37.21	274.70	-1.71	-38.92
CCC(O)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005025530	0	34	-1.0	-37.43	284.59	0.44	-36.99
CC(C)(C)C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025531	0	34	-1.0	-39.38	291.40	1.27	-38.11
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC2=CN=CN2C(=O)N1	REAL250005025532	0	29	-1.0	-43.22	262.65	-0.84	-44.06
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1CCCC2	REAL250005025533	0	31	-1.0	-38.37	266.28	1.72	-36.65
CCC1(CC)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025534	0	36	-1.0	-35.46	285.90	2.26	-33.20
CC(C)(C)C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025535	0	32	-1.0	-36.58	282.44	0.94	-35.64
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CC1=CC(=O)N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2N1	REAL250005025602	0	30	-1.0	-45.56	274.75	-0.56	-46.12
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COC(C(=O)NCC1=NC(=O)O[N-]1)C1CC(F)(F)C1	REAL250005025606	0	31	-1.0	-38.61	271.75	0.93	-37.68
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=NNC=N1	REAL250005025607	0	32	-1.0	-41.77	272.26	0.44	-41.33
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=NN=CN1	REAL250005025607	1	32	-1.0	-38.96	277.17	0.57	-38.39
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CC(C)(C)C1(C)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025609	0	39	-1.0	-35.52	299.40	2.50	-33.02
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CC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL250005025612	0	33	-1.0	-40.62	289.45	0.69	-39.93
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CC(C(=O)NCC1=NC(=O)O[N-]1)S(N)(=O)=O	REAL250005025616	0	25	-1.0	-45.65	238.37	-5.80	-51.45
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O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CN=C2)=NO1	REAL250005025620	0	29	-1.0	-37.85	274.80	0.27	-37.58
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CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC	REAL250005025622	0	33	-1.0	-39.64	280.65	0.74	-38.90
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC(F)=CC(F)=C1	REAL250005025623	0	28	-1.0	-36.03	266.68	-0.08	-36.11
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O=C(NCC1=NC(=O)O[N-]1)C1=CC2(C1)CCOCC2	REAL250005025627	0	33	-1.0	-36.85	280.67	0.62	-36.23
NC1=NC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005025628	0	25	-1.0	-39.56	254.54	-1.56	-41.12
CCC(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC=N1	REAL250005025629	0	30	-1.0	-35.51	261.79	0.44	-35.07
CCOCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005025630	0	30	-1.0	-42.06	285.83	-1.23	-43.29
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1CCOC1	REAL250005025631	0	34	-1.0	-45.92	294.31	-1.84	-47.76
CC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005025632	0	29	-1.0	-43.29	266.18	1.53	-41.76
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CC(=O)N2)C1	REAL250005025633	0	29	-1.0	-39.69	258.20	-3.33	-43.02
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COCN1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025635	0	28	-1.0	-37.77	255.21	-2.63	-40.40
CC1=C(C)NC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025636	0	33	-1.0	-40.03	288.21	0.33	-39.70
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NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CCO	REAL250005025639	0	30	-1.0	-39.43	269.44	-4.69	-44.12
CCC1=NC(N)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025640	0	30	-1.0	-36.15	261.55	-0.23	-36.38
NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005025641	0	28	-1.0	-39.72	268.10	-1.66	-41.38
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CCN1C=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025643	0	27	-1.0	-42.53	263.17	0.20	-42.33
CN1N=CC=C1C1=NNC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025644	0	31	-1.0	-41.46	283.38	-1.32	-42.78
COC1=NSC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025645	0	28	-1.0	-36.85	275.53	-1.73	-38.58
CC(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005025646	0	29	-1.0	-39.60	264.43	-2.26	-41.86
COC1(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005025647	0	31	-1.0	-35.55	266.08	-0.41	-35.96
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL250005025648	0	37	-1.0	-36.42	290.09	0.51	-35.91
O=C(CCC1CCC(=O)NC1)NCC1=NC(=O)O[N-]1	REAL250005025649	0	34	-1.0	-40.80	285.21	-1.29	-42.09
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C(F)C=C(F)C=C12	REAL250005025650	0	27	-1.0	-36.11	262.64	1.51	-34.60
CCC1=CC=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C21	REAL250005025651	0	35	-1.0	-42.60	306.31	3.05	-39.55
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCS(=O)(=O)CC1	REAL250005025652	0	33	-1.0	-41.23	276.22	-2.01	-43.24
CC(F)(F)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025653	0	30	-1.0	-43.96	263.25	2.53	-41.43
O=C(NCC1=NC(=O)O[N-]1)C1(F)CCC(F)(F)CC1	REAL250005025654	0	30	-1.0	-34.78	263.35	1.36	-33.42
O=C(NCC1=NC(=O)O[N-]1)C1=CON=C1C1CCC1	REAL250005025655	0	30	-1.0	-35.62	266.12	1.14	-34.48
O=C(NCC1=NC(=O)O[N-]1)C(F)CC1CCCC1	REAL250005025656	0	33	-1.0	-34.82	277.42	2.15	-32.67
CC1(C)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C(F)(F)F	REAL250005025657	0	33	-1.0	-35.57	284.16	1.88	-33.69
O=C(NCC1=NC(=O)O[N-]1)C1CC2(C1)CCCO2	REAL250005025658	0	32	-1.0	-40.39	266.14	1.03	-39.36
O=C(NCC1=NC(=O)O[N-]1)C12CCCC1CC(=O)CC2	REAL250005025659	0	36	-1.0	-36.80	279.55	2.09	-34.71
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCO2)CC1	REAL250005025660	0	32	-1.0	-34.98	266.88	0.57	-34.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCNC2=O	REAL250005025661	0	32	-1.0	-41.82	280.67	-0.49	-42.31
CC(C)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005025662	0	37	-1.0	-36.79	298.36	0.82	-35.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CNC(=O)C2=C1	REAL250005025663	0	29	-1.0	-45.11	263.32	-1.47	-46.58
CCOC(=O)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005025664	0	29	-1.0	-45.62	287.52	-0.24	-45.86
NC(=O)C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025665	0	24	-1.0	-36.47	238.62	-4.86	-41.33
O=C(CC1CCCC2(CCC2)O1)NCC1=NC(=O)O[N-]1	REAL250005025666	0	38	-1.0	-39.11	305.65	2.53	-36.58
COCC1(C(=O)NCC2=NC(=O)O[N-]2)C=CCC1	REAL250005025667	0	32	-1.0	-38.76	270.36	0.68	-38.08
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCCCO1	REAL250005025668	0	31	-1.0	-35.51	269.83	0.23	-35.28
CC1=NN(C(C)C)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025669	0	36	-1.0	-39.99	310.97	1.33	-38.66
O=C(NCC1=NC(=O)O[N-]1)C1=CON=C1C1CCCO1	REAL250005025670	0	31	-1.0	-37.68	275.29	-0.69	-38.37
O=C(NCC1=NC(=O)O[N-]1)C1CNC(=O)CC12CCC2	REAL250005025671	0	35	-1.0	-40.59	283.78	-0.99	-41.58
COC1C[C@@H]2CC(C(=O)NCC3=NC(=O)O[N-]3)C[C@H]12	REAL250005025672	0	35	-1.0	-38.19	283.15	1.22	-36.97
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C2O1	REAL250005025673	0	30	-1.0	-40.08	268.16	2.19	-37.89
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CCC2=CC=CC=C21	REAL250005025674	0	31	-1.0	-37.82	263.65	3.02	-34.80
CC1(C)C2CCC1(CC(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005025675	0	40	-1.0	-35.54	300.30	3.05	-32.49
O=C(CN1C=C(C2CCOC2)C=N1)NCC1=NC(=O)O[N-]1	REAL250005025676	0	35	-1.0	-42.19	302.96	-0.16	-42.35
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CN=C2NC=C1	REAL250005025677	0	27	-1.0	-45.82	245.38	0.42	-45.40
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CNC2=NC=C1	REAL250005025677	1	27	-1.0	-40.59	245.57	0.32	-40.27
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CCC2)CC1	REAL250005025678	0	37	-1.0	-35.19	290.72	2.95	-32.24
CCC1=CC2=C(OCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025679	0	35	-1.0	-42.18	298.95	3.23	-38.95
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CSC2=CC=C1	REAL250005025680	0	27	-1.0	-37.77	253.77	2.38	-35.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CS1	REAL250005025681	0	24	-1.0	-35.03	253.13	1.07	-33.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2CC2)=C1	REAL250005025682	0	35	-1.0	-38.26	304.13	2.85	-35.41
CSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005025683	0	28	-1.0	-36.57	273.68	2.57	-34.00
CC(F)(F)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025684	0	30	-1.0	-37.33	274.32	2.57	-34.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C=CSC2=C1	REAL250005025685	0	27	-1.0	-37.40	258.01	2.42	-34.98
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=N1	REAL250005025686	0	30	-1.0	-37.24	270.12	-1.61	-38.85
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=CO1	REAL250005025687	0	30	-1.0	-38.45	271.13	1.22	-37.23
O=C(NCC1=NC(=O)O[N-]1)C12CCCC1CCC2	REAL250005025688	0	34	-1.0	-36.87	266.39	2.22	-34.65
CC1=NC=C2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=N1	REAL250005025689	0	35	-1.0	-37.31	296.80	1.36	-35.95
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)OC1=CC=CC=C1	REAL250005025690	0	28	-1.0	-36.42	263.94	1.76	-34.66
COCCC(C)(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025691	0	36	-1.0	-35.71	286.83	0.18	-35.53
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCNS1(=O)=O	REAL250005025692	0	32	-1.0	-47.50	274.51	-4.18	-51.68
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C(F)F)=N1	REAL250005025693	0	23	-1.0	-43.11	235.27	-3.36	-46.47
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)C(C)(F)F	REAL250005025694	0	32	-1.0	-35.38	262.68	1.19	-34.19
O=C(CCC=CBr)NCC1=NC(=O)O[N-]1	REAL250005025695	0	24	-1.0	-35.30	241.52	0.79	-34.51
CC1=CC(F)=CC(C(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025696	0	33	-1.0	-37.98	289.50	3.01	-34.97
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=CC=NN21	REAL250005025697	0	31	-1.0	-42.23	264.63	0.75	-41.48
O=C(COC1=CC=CC=C1C(F)F)NCC1=NC(=O)O[N-]1	REAL250005025698	0	31	-1.0	-44.23	287.25	2.59	-41.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2CC2(F)F)=C1	REAL250005025699	0	31	-1.0	-40.71	280.97	3.25	-37.46
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2CCCC2=C1	REAL250005025700	0	30	-1.0	-38.51	261.68	1.14	-37.37
CC1=NC(C2CC2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025701	0	32	-1.0	-35.53	279.91	1.37	-34.16
CC1(C)CCOC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025702	0	34	-1.0	-38.56	277.40	0.64	-37.92
CC1=NN=C(CCC(=O)NCC2=NC(=O)O[N-]2)N1C	REAL250005025703	0	32	-1.0	-43.77	282.55	1.37	-42.40
CCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005025704	0	31	-1.0	-35.16	270.89	0.29	-34.87
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL250005025705	0	35	-1.0	-35.43	276.50	0.41	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1CC2CC1C1C2C1(F)F	REAL250005025706	0	32	-1.0	-36.16	266.44	2.20	-33.96
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC1)COCCO2	REAL250005025707	0	39	-1.0	-36.65	300.71	0.03	-36.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=NC=CN=C12	REAL250005025708	0	27	-1.0	-44.10	250.51	-1.05	-45.15
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NCC1=NC(=O)O[N-]1	REAL250005025709	0	27	-1.0	-39.31	275.74	2.15	-37.16
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL250005025710	0	31	-1.0	-37.51	263.62	2.03	-35.48
CC1=NN(C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025711	0	34	-1.0	-43.60	301.57	3.35	-40.25
CC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C1(CCC1)O2	REAL250005025712	0	36	-1.0	-34.59	292.79	1.10	-33.49
CC1=COC(C(C)C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025713	0	33	-1.0	-38.55	291.39	1.81	-36.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCNC2=O)O1	REAL250005025714	0	32	-1.0	-41.92	282.90	-1.62	-43.54
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=C(F)C=CC2=NN1	REAL250005025715	0	27	-1.0	-36.65	254.56	-0.19	-36.84
O=C(NCC1=NC(=O)O[N-]1)C1=NNC2=CC=C(F)C=C21	REAL250005025715	1	27	-1.0	-41.48	256.47	-0.23	-41.71
CC1(C(=O)NCC2=NC(=O)O[N-]2)CS(=O)(=O)C1	REAL250005025716	0	27	-1.0	-40.01	245.12	-3.33	-43.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1CC1(F)F	REAL250005025717	0	31	-1.0	-40.42	277.78	3.27	-37.15
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1CC1	REAL250005025718	0	27	-1.0	-36.19	247.94	-0.98	-37.17
CCC1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005025719	0	30	-1.0	-36.53	286.73	0.51	-36.02
O=C(CSC1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005025720	0	28	-1.0	-37.14	270.68	2.26	-34.88
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)NC2=NC=CC=C21	REAL250005025721	0	31	-1.0	-44.46	276.31	-0.86	-45.32
CC1=NC(C2CC2)=NC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025722	0	35	-1.0	-36.80	306.72	1.59	-35.21
CCC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005025723	0	34	-1.0	-36.41	297.69	0.52	-35.89
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CC1	REAL250005025724	0	35	-1.0	-38.49	282.51	1.02	-37.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NNC1=O	REAL250005025725	0	30	-1.0	-44.82	270.72	-0.89	-45.71
CC1=CC(C)=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL250005025726	0	34	-1.0	-36.54	297.43	2.30	-34.24
CC1=NC2=C(NC(C(=O)NCC3=NC(=O)O[N-]3)=C2)S1	REAL250005025727	0	27	-1.0	-37.63	261.82	-1.10	-38.73
CC1(C)OCC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C21	REAL250005025728	0	32	-1.0	-35.42	280.39	-1.87	-37.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CCOCC2)=NN1	REAL250005025729	0	35	-1.0	-35.87	297.52	-1.13	-37.00
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CCCC2)N=C1	REAL250005025730	0	34	-1.0	-38.31	288.98	1.45	-36.86
O=C(CCN1C=CC2=CC=CN=C21)NCC1=NC(=O)O[N-]1	REAL250005025731	0	33	-1.0	-40.84	294.88	2.90	-37.94
CC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005025732	0	29	-1.0	-39.80	272.06	3.42	-36.38
CCCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005025733	0	29	-1.0	-40.41	273.30	0.29	-40.12
CC1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005025734	0	27	-1.0	-36.63	265.24	-0.23	-36.86
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005025735	0	34	-1.0	-36.22	289.98	1.18	-35.04
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(F)C(F)=C1	REAL250005025736	0	23	-1.0	-33.57	228.83	-0.74	-34.31
COC1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=N1	REAL250005025737	0	31	-1.0	-38.63	281.78	-1.25	-39.88
COC(=O)[C@@H]1C[C@]1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025738	0	30	-1.0	-42.74	270.75	0.70	-42.04
COC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL250005025739	0	30	-1.0	-41.31	286.38	1.53	-39.78
CC(C)(C)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005025740	0	33	-1.0	-35.80	285.47	0.20	-35.60
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCC2=CC=CC=C21	REAL250005025741	0	31	-1.0	-36.69	267.42	2.79	-33.90
CCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005025742	0	30	-1.0	-42.35	268.11	0.79	-41.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCOC2=C1	REAL250005025743	0	29	-1.0	-38.73	256.95	0.90	-37.83
COC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005025744	0	27	-1.0	-43.59	252.50	-1.26	-44.85
O=C(CSC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005025745	0	28	-1.0	-36.70	281.00	2.70	-34.00
O=C(CC1C[C@@H]2COC[C@H]12)NCC1=NC(=O)O[N-]1	REAL250005025746	0	32	-1.0	-37.57	267.02	0.06	-37.51
COCC1=CN=C(OC)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025747	0	34	-1.0	-40.30	301.25	-1.28	-41.58
COC1=CC=C(C(C)=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025748	0	35	-1.0	-37.32	305.12	2.36	-34.96
O=C(CN1N=NC(C2CC2)=N1)NCC1=NC(=O)O[N-]1	REAL250005025749	0	29	-1.0	-41.45	269.49	-0.73	-42.18
CC1(C)OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2O1	REAL250005025750	0	33	-1.0	-37.33	289.30	1.33	-36.00
COC1=CC2=C(OCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025751	0	33	-1.0	-40.94	285.55	1.10	-39.84
CC1=CC(=O)N(CCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005025752	0	32	-1.0	-44.06	287.59	1.13	-42.93
O=C(NCC1=NC(=O)O[N-]1)C1=C2OC=CC2=CC=C1Cl	REAL250005025753	0	27	-1.0	-42.96	268.33	1.69	-41.27
CC1=CSC2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CN=C12	REAL250005025754	0	28	-1.0	-39.01	269.73	1.06	-37.95
O=C(CC1=NN=C2COCCN12)NCC1=NC(=O)O[N-]1	REAL250005025755	0	31	-1.0	-44.58	274.79	-0.82	-45.40
NC1=CC=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025756	0	26	-1.0	-40.28	244.50	-1.16	-41.44
NC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025757	0	26	-1.0	-36.68	248.21	-0.22	-36.90
NC1=C(Cl)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025758	0	26	-1.0	-34.92	246.19	-0.17	-35.09
NC1=CC(F)=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025759	0	26	-1.0	-35.46	243.60	-0.62	-36.08
NC1=C(F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025760	0	26	-1.0	-35.24	237.18	-0.64	-35.88
CC1=CC=C(F)C(N)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025761	0	29	-1.0	-36.89	263.18	-0.58	-37.47
CC1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL250005025762	0	29	-1.0	-37.22	255.24	0.10	-37.12
CC1=CC(Cl)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL250005025763	0	29	-1.0	-36.54	265.56	0.55	-35.99
CC1=CC(Cl)=C(N)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025764	0	29	-1.0	-34.56	266.69	0.50	-34.06
NC1=CC(F)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025765	0	26	-1.0	-34.87	253.46	-0.17	-35.04
CC1=C(F)C=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL250005025766	0	29	-1.0	-34.69	254.09	0.06	-34.63
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(N)=C1Cl	REAL250005025767	0	29	-1.0	-35.01	263.97	0.41	-34.60
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(N)C=C1F	REAL250005025768	0	29	-1.0	-34.44	257.57	-0.03	-34.47
NC1=C(Cl)C=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025769	0	26	-1.0	-33.91	251.71	-0.09	-34.00
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(N)=C1F	REAL250005025770	0	30	-1.0	-36.13	265.55	-1.32	-37.45
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC(Cl)=C1F	REAL250005025771	0	26	-1.0	-33.25	252.52	-0.14	-33.39
CC1=C(F)C=CC(N)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025772	0	29	-1.0	-37.34	263.02	-0.65	-37.99
O=C(CC1=CC=C(O)C=N1)NCC1=NC(=O)O[N-]1	REAL250005025773	0	27	-1.0	-42.27	250.24	-2.76	-45.03
O=C(NCC1=NC(=O)O[N-]1)C(=O)NC1=NC=CN1	REAL250005025775	0	25	-1.0	-36.94	237.29	-1.28	-38.22
O=C(NCC1=NC(=O)O[N-]1)C12CC(C1)CN2C1CC1	REAL250005025776	1	34	-1.0	-37.52	277.55	0.41	-37.11
O=C(NCC1=NC(=O)O[N-]1)C(F)=CC1=CNC=N1	REAL250005025777	0	25	-1.0	-45.84	241.70	0.28	-45.56
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2NC1=O	REAL250005025778	0	32	-1.0	-40.83	281.34	0.01	-40.82
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C(F)C=C21	REAL250005025779	0	31	-1.0	-35.26	278.90	1.74	-33.52
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025780	0	31	-1.0	-36.71	281.01	2.93	-33.78
O=C(C=CCOC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005025781	0	32	-1.0	-38.60	288.87	1.93	-36.67
O=C(CC1CC(=O)NC(=O)C1)NCC1=NC(=O)O[N-]1	REAL250005025782	0	30	-1.0	-43.10	264.74	-2.72	-45.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=NNC=C21	REAL250005025783	0	26	-1.0	-39.67	241.41	-0.98	-40.65
O=C(CC1=CC=CC(F)=C1O)NCC1=NC(=O)O[N-]1	REAL250005025784	0	28	-1.0	-38.52	261.80	-0.99	-39.51
CN1C(=S)NN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025785	0	24	-1.0	-35.87	239.34	-0.29	-36.16
O=C(NCC1=NC(=O)O[N-]1)C1CC2CC(O)CC(C2)C1	REAL250005025786	0	38	-1.0	-37.85	287.88	-0.19	-38.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=NC=C2)=NN1	REAL250005025787	0	30	-1.0	-36.65	277.80	-0.68	-37.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CNN=C2S1	REAL250005025788	0	24	-1.0	-44.07	239.84	-1.14	-45.21
CC1=CN2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=N1	REAL250005025789	0	34	-1.0	-37.60	287.73	1.77	-35.83
O=C(NCC1=NC(=O)O[N-]1)C1=CN2N=C(Cl)N=C2C=C1	REAL250005025790	0	26	-1.0	-35.85	260.05	1.26	-34.59
CC1=NC=C2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN21	REAL250005025792	1	30	-1.0	-37.40	269.49	2.29	-35.11
C#CC[C@]1(O)C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025793	0	30	-1.0	-40.77	266.12	-0.14	-40.91
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025794	0	27	-1.0	-37.69	264.04	0.71	-36.98
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(O)C=C2)CC1	REAL250005025795	0	32	-1.0	-38.65	283.56	-0.12	-38.77
CCC(C(=O)NCC1=NC(=O)O[N-]1)N1C=CN=C1	REAL250005025796	0	30	-1.0	-37.56	266.06	1.59	-35.97
CC1(C2=NOC=C2C(=O)NCC2=NC(=O)O[N-]2)COC1	REAL250005025797	0	31	-1.0	-35.14	275.07	-1.12	-36.26
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C[C@H](N2C=NN=C2)C1	REAL250005025798	0	30	-1.0	-42.66	262.76	2.61	-40.05
CCN1CCOCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025799	1	36	-1.0	-36.82	286.57	-2.35	-39.17
CCOC(=O)CCC(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025800	0	32	-1.0	-36.98	294.82	1.37	-35.61
COC1=CC(OC)=C(N)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025801	0	34	-1.0	-39.30	289.55	-2.04	-41.34
C[C@H](C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL250005025802	0	33	-1.0	-37.96	287.71	0.93	-37.03
CC1=CN(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)N=C1	REAL250005025803	0	34	-1.0	-43.42	301.33	2.92	-40.50
CC(CC1=CC=C(F)C(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025804	0	33	-1.0	-36.87	295.22	3.12	-33.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(F)=CC=C21	REAL250005025805	0	30	-1.0	-37.10	269.02	3.39	-33.71
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2OC=CC2=C1	REAL250005025806	0	26	-1.0	-40.04	243.45	-1.67	-41.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1C1CC1(F)F	REAL250005025807	0	28	-1.0	-36.60	264.36	0.71	-35.89
CC(C)(C)O[C@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025808	0	37	-1.0	-37.64	303.10	1.12	-36.52
CCC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCC1	REAL250005025809	0	36	-1.0	-35.40	285.99	2.57	-32.83
CC1=NC=CC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025810	0	30	-1.0	-37.93	268.38	0.98	-36.95
CC1=CN=CC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025811	0	30	-1.0	-37.48	268.53	1.00	-36.48
O=C(C=CC1=CC=NC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005025812	0	27	-1.0	-37.33	267.58	0.92	-36.41
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL250005025813	0	30	-1.0	-37.25	260.05	-1.35	-38.60
COC1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL250005025814	0	33	-1.0	-38.66	286.04	-1.26	-39.92
O=C(C=CC1=CC=NC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005025815	0	33	-1.0	-39.39	294.42	2.54	-36.85
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025816	0	31	-1.0	-36.71	281.01	2.93	-33.78
CC(=CC1=CC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025817	0	28	-1.0	-36.58	255.67	1.65	-34.93
CC1=CC=CC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025818	0	30	-1.0	-36.55	276.77	2.48	-34.07
COC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL250005025819	0	29	-1.0	-39.45	273.90	0.04	-39.41
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCC(C2)C1	REAL250005025820	0	34	-1.0	-35.96	246.48	2.36	-33.60
CC1=CC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL250005025821	0	32	-1.0	-39.42	283.78	2.08	-37.34
COC1=C(F)C=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005025822	0	28	-1.0	-37.48	265.12	0.61	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=COC=C2)=C1	REAL250005025823	0	30	-1.0	-38.57	275.30	0.87	-37.70
CC1(C)C(C(=O)NCC2=NC(=O)O[N-]2)CCS1(=O)=O	REAL250005025824	0	33	-1.0	-41.92	280.43	-1.98	-43.90
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC=N1	REAL250005025825	0	29	-1.0	-37.74	261.09	-2.11	-39.85
COC1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL250005025826	0	30	-1.0	-36.54	266.51	-1.28	-37.82
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL250005025827	0	30	-1.0	-42.70	264.85	-0.57	-43.27
CCCC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025828	0	36	-1.0	-37.05	310.14	3.95	-33.10
CC(C)N1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005025829	0	33	-1.0	-41.35	284.51	1.19	-40.16
O=C(CCCCN1C(=O)CCC1=O)NCC1=NC(=O)O[N-]1	REAL250005025830	0	36	-1.0	-44.55	315.48	0.77	-43.78
CC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C1=CC=C(F)C=C1	REAL250005025831	0	36	-1.0	-36.96	302.78	3.46	-33.50
C=CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005025832	0	35	-1.0	-35.50	273.84	0.16	-35.34
CN1C=CC(N2C=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL250005025833	0	31	-1.0	-48.04	288.28	2.29	-45.75
CC(=CC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025834	0	31	-1.0	-36.33	274.96	2.89	-33.44
CCCCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005025835	0	32	-1.0	-40.44	294.80	1.07	-39.37
O=C(CF)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025836	0	29	-1.0	-40.65	269.91	1.69	-38.96
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CNC2=CN=C1	REAL250005025837	0	27	-1.0	-43.68	244.93	-0.73	-44.41
CC1(C)CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025838	0	39	-1.0	-36.13	293.25	2.60	-33.53
CCC1=NC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025839	0	35	-1.0	-37.06	297.20	2.78	-34.28
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CC1C(F)(F)F	REAL250005025840	0	25	-1.0	-40.17	245.21	0.83	-39.34
O=C(NCC1=NC(=O)O[N-]1)C12CC(CO1)CCC2	REAL250005025841	0	32	-1.0	-38.06	257.58	-0.11	-38.17
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC2=C1OCO2	REAL250005025842	0	27	-1.0	-41.08	267.05	0.01	-41.07
CN1N=NC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025843	0	26	-1.0	-35.59	250.35	-1.87	-37.46
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(CC(O)(C3)C1)C2	REAL250005025844	0	39	-1.0	-38.41	296.66	-0.37	-38.78
O=CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005025845	0	27	-1.0	-41.41	254.23	-0.97	-42.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NNC(=O)N2C=C1	REAL250005025846	0	27	-1.0	-37.16	253.46	-0.68	-37.84
CN1C=CC(C2=NNC=C2C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025847	0	31	-1.0	-46.49	283.18	-0.83	-47.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2C=NN=C12	REAL250005025848	0	26	-1.0	-56.86	241.61	2.65	-54.21
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=C(C)C=CC=C12	REAL250005025849	0	34	-1.0	-36.91	293.71	2.32	-34.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)N1	REAL250005025850	0	35	-1.0	-40.60	303.97	3.03	-37.57
CCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005025851	0	31	-1.0	-36.43	273.14	0.92	-35.51
O=C(NCC1=NC(=O)O[N-]1)C12CCOC1CCOC2	REAL250005025852	0	33	-1.0	-41.76	263.48	-0.55	-42.31
CC(=O)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005025853	0	35	-1.0	-42.59	285.81	2.48	-40.11
O=C(NCC1=NC(=O)O[N-]1)C(C1CC1)C1CCCO1	REAL250005025854	0	35	-1.0	-38.25	287.42	2.31	-35.94
CCC1=CN2C(=N1)C=CC=C2C(=O)NCC1=NC(=O)O[N-]1	REAL250005025855	0	33	-1.0	-38.89	287.66	2.77	-36.12
N#CC1CCCC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025856	0	34	-1.0	-44.56	282.01	2.00	-42.56
CCOC(=O)C12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)OC2	REAL250005025857	0	35	-1.0	-38.23	307.97	0.19	-38.04
CC1(C)CC(CC(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)O1	REAL250005025858	0	43	-1.0	-35.90	331.62	2.26	-33.64
O=C(CC1CCN2C=NC=C2C1)NCC1=NC(=O)O[N-]1	REAL250005025859	0	34	-1.0	-42.14	284.36	2.65	-39.49
O=C(CCCCCN1C=NN=N1)NCC1=NC(=O)O[N-]1	REAL250005025860	0	34	-1.0	-47.22	301.17	1.26	-45.96
O=C(CCC1=NC=C(F)C=N1)NCC1=NC(=O)O[N-]1	REAL250005025861	0	28	-1.0	-37.29	263.55	-0.20	-37.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)NCC2=C1	REAL250005025862	0	31	-1.0	-39.78	275.40	-1.87	-41.65
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC(F)=CC=C21	REAL250005025863	0	30	-1.0	-43.42	279.11	1.08	-42.34
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1CS(=O)(=O)C2	REAL250005025864	0	28	-1.0	-44.03	269.84	-3.06	-47.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCOC2)C=C1	REAL250005025865	0	35	-1.0	-37.46	295.85	1.65	-35.81
CN1C=C(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=N1	REAL250005025866	0	30	-1.0	-39.44	284.52	-0.10	-39.54
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC2=C1CCCC2	REAL250005025867	0	33	-1.0	-37.93	273.25	1.75	-36.18
CC1=CC=CN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL250005025868	0	30	-1.0	-42.81	261.82	1.46	-41.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CN=NN21	REAL250005025869	0	26	-1.0	-53.11	240.46	-0.25	-53.36
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC(C)=CC=C21	REAL250005025870	0	34	-1.0	-37.01	293.87	2.33	-34.68
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC(F)=CC=C21	REAL250005025871	0	31	-1.0	-35.97	278.90	1.73	-34.24
CC1=C2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=CN2N=C1	REAL250005025872	0	29	-1.0	-40.92	267.64	0.69	-40.23
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CC(C)(C)OC(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025906	0	32	-1.0	-40.70	272.60	1.69	-39.01
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CC(C)(C)C(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005025910	0	34	-1.0	-37.30	287.81	1.26	-36.04
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCO1	REAL250005025911	0	30	-1.0	-39.47	264.86	0.39	-39.08
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CC(C)(C)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005025917	0	32	-1.0	-37.65	282.56	-1.38	-39.03
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CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(F)=C1	REAL250005025920	0	33	-1.0	-37.95	289.48	2.78	-35.17
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CC=CCC1	REAL250005025921	0	35	-1.0	-38.01	287.30	0.68	-37.33
O=C(NCC1=NC(=O)O[N-]1)C1CCOCC12CCCCC2	REAL250005025922	0	41	-1.0	-36.34	304.08	1.70	-34.64
CC(F)(F)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005025923	0	33	-1.0	-40.72	287.83	3.16	-37.56
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CCC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005025926	0	36	-1.0	-50.70	302.35	0.91	-49.79
CC1=CC=C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005025927	0	37	-1.0	-38.11	312.79	3.62	-34.49
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COC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005025929	0	33	-1.0	-38.78	286.05	2.26	-36.52
C=CCCC(CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025930	0	39	-1.0	-36.21	313.65	3.73	-32.48
C=CCC(CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005025931	0	36	-1.0	-35.92	296.52	2.47	-33.45
CC(C)(C)C1CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005025932	0	34	-1.0	-37.02	285.79	0.13	-36.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCOC(=O)C2=C1	REAL250005025933	0	31	-1.0	-44.03	276.91	1.99	-42.04
CC(C)COC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005025934	0	39	-1.0	-36.93	317.58	2.57	-34.36
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=CC2=NN1	REAL250005025935	0	29	-1.0	-44.70	266.46	-1.35	-46.05
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC(F)(F)F)C=N1	REAL250005025936	0	27	-1.0	-46.03	267.28	1.59	-44.44
CNC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025937	0	36	-1.0	-41.69	296.35	-0.97	-42.66
CC1=CC2=CC=CN=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025938	0	32	-1.0	-45.23	281.56	2.52	-42.71
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CC1OC2(C)CC1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005025940	0	32	-1.0	-35.69	265.21	0.06	-35.63
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CN1C=C(C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005025942	0	34	-1.0	-43.21	296.87	2.34	-40.87
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CCC2)ON=C1	REAL250005025943	0	30	-1.0	-35.20	265.80	1.40	-33.80
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CN=C2C=C1	REAL250005025944	0	32	-1.0	-39.96	283.94	1.67	-38.29
C[C@@H](C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005025945	0	30	-1.0	-36.25	268.08	2.34	-33.91
CCC(CC(=O)NCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL250005025946	0	32	-1.0	-37.21	271.01	1.57	-35.64
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C[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)C[C@H](C)O1	REAL250005025949	0	34	-1.0	-35.71	280.37	0.43	-35.28
O=C(NCC1=NC(=O)O[N-]1)C12COC(C1)CCC2	REAL250005025950	0	32	-1.0	-35.58	256.87	-0.30	-35.88
CC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CO1)C2	REAL250005025951	0	32	-1.0	-35.72	267.39	-0.28	-36.00
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COC(=O)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005025953	0	33	-1.0	-42.24	298.07	2.49	-39.75
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(F)C(F)=C1F	REAL250005025954	0	26	-1.0	-33.01	249.74	-0.53	-33.54
NC1=C(F)C=C(F)C(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025955	0	26	-1.0	-36.36	256.23	-1.02	-37.38
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N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2C=CC1C2	REAL250005025957	0	30	-1.0	-37.00	260.76	1.55	-35.45
CC1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)N2)O1	REAL250005025958	0	28	-1.0	-37.80	257.22	-0.13	-37.93
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC2=CC=CC=C21	REAL250005025960	0	33	-1.0	-38.23	279.29	3.89	-34.34
COC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005025961	0	33	-1.0	-38.48	293.53	-0.71	-39.19
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C1CCOC2	REAL250005025962	0	32	-1.0	-43.77	278.32	-1.21	-44.98
CC1=CC=CC([C@@H](C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025963	0	33	-1.0	-36.86	283.08	2.94	-33.92
COC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005025964	0	30	-1.0	-36.11	264.53	-1.52	-37.63
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=C1C=CS2	REAL250005025965	0	28	-1.0	-38.23	263.44	1.65	-36.58
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC(F)F	REAL250005025966	0	30	-1.0	-38.53	276.09	0.39	-38.14
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1CCC1	REAL250005025967	0	34	-1.0	-39.67	289.78	1.51	-38.16
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCC2=CN1	REAL250005025968	0	32	-1.0	-37.88	268.99	1.32	-36.56
COCCOCC=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025969	0	32	-1.0	-39.95	288.14	-1.38	-41.33
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005025970	0	27	-1.0	-36.94	255.13	1.42	-35.52
CCC(C(=O)NCC1=NC(=O)O[N-]1)N1C=NC=N1	REAL250005025971	0	29	-1.0	-35.69	256.66	1.57	-34.12
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1C	REAL250005025972	0	33	-1.0	-41.53	288.34	0.79	-40.74
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCOC1	REAL250005025973	0	30	-1.0	-36.60	257.95	0.00	-36.60
CC(=O)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005025974	0	25	-1.0	-49.31	253.21	-1.37	-50.68
CC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005025975	0	31	-1.0	-44.70	281.91	0.02	-44.68
O=C(CC1=CC(C(F)(F)F)=CO1)NCC1=NC(=O)O[N-]1	REAL250005025976	0	27	-1.0	-38.36	267.32	0.94	-37.42
O=C(NCC1=NC(=O)O[N-]1)C1=CN2N=CC=C2C=C1	REAL250005025977	0	27	-1.0	-37.86	248.24	0.82	-37.04
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=NN=CN21	REAL250005025978	0	30	-1.0	-41.87	255.38	1.92	-39.95
CC1(C)CCCC(CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005025979	0	37	-1.0	-38.50	294.59	1.81	-36.69
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL250005025980	0	30	-1.0	-38.49	272.99	0.08	-38.41
CCN1C(=O)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025981	0	31	-1.0	-39.45	268.09	-0.31	-39.76
O=C(CN1C=CC2=CC(F)=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005025982	0	31	-1.0	-39.47	285.42	3.26	-36.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=C1CCC2	REAL250005025983	0	30	-1.0	-36.86	259.00	1.13	-35.73
CCSC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025984	0	37	-1.0	-35.20	309.89	3.23	-31.97
CC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC(C)=N1	REAL250005025985	0	35	-1.0	-37.70	305.25	1.99	-35.71
CC1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL250005025986	0	33	-1.0	-38.06	288.54	3.97	-34.09
O=C(CCC1=CC=CC(=O)N1)NCC1=NC(=O)O[N-]1	REAL250005025987	0	30	-1.0	-42.64	271.79	-0.68	-43.32
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Cl)=C1Cl	REAL250005025988	0	21	-1.0	-35.77	242.45	1.08	-34.69
CC1=NN(C2CCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025989	0	34	-1.0	-37.23	289.57	1.40	-35.83
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1Br	REAL250005025990	0	22	-1.0	-40.73	227.85	-0.44	-41.17
CCC1=C(C)SC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025991	0	30	-1.0	-36.95	269.50	2.09	-34.86
O=C(NCC1=NC(=O)O[N-]1)C1CC(OC(F)(F)F)C1	REAL250005025992	0	28	-1.0	-36.42	264.72	-0.42	-36.84
CS(=O)(=O)C1=COC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005025993	0	27	-1.0	-45.40	268.40	-3.49	-48.89
O=C(CC1=CC=C2COCCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005025994	0	35	-1.0	-39.03	299.47	1.82	-37.21
O=C(CC1=CC=C2CCOCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005025995	0	35	-1.0	-39.00	299.46	1.82	-37.18
O=C(NCC1=NC(=O)O[N-]1)C1CCOC(=O)CC1	REAL250005025996	0	30	-1.0	-40.71	255.33	0.49	-40.22
CCN1N=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005025997	0	29	-1.0	-43.31	260.60	-1.24	-44.55
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN(C)C1=O	REAL250005025998	0	30	-1.0	-39.26	266.91	0.50	-38.76
O=C(CC1CCCC(F)(F)C1)NCC1=NC(=O)O[N-]1	REAL250005025999	0	33	-1.0	-39.44	276.70	2.12	-37.32
O=C(CC1CC(C(F)F)C1)NCC1=NC(=O)O[N-]1	REAL250005026000	0	30	-1.0	-37.46	267.47	1.71	-35.75
CC1=CC(Cl)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005026001	0	24	-1.0	-37.03	248.78	1.35	-35.68
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)N(C2CC2)C1	REAL250005026002	0	35	-1.0	-37.68	291.38	0.74	-36.94
N#CC1=CN=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026003	0	24	-1.0	-36.75	250.74	-0.03	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1C(=O)NC2	REAL250005026004	0	29	-1.0	-50.97	257.71	0.04	-50.93
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005026005	0	30	-1.0	-36.79	277.69	2.89	-33.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2CC2)C=C1	REAL250005026006	0	34	-1.0	-36.86	295.61	4.05	-32.81
N#CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005026007	0	31	-1.0	-39.10	293.44	2.94	-36.16
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2CCCCC2=C1	REAL250005026008	0	33	-1.0	-37.76	279.11	1.73	-36.03
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026009	0	32	-1.0	-41.18	283.31	3.09	-38.09
O=C(C=CC1=CC=C2OCOC2=C1)NCC1=NC(=O)O[N-]1	REAL250005026010	0	31	-1.0	-38.85	281.70	0.92	-37.93
CC1(C)COCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026011	0	34	-1.0	-35.95	269.72	0.05	-35.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=NN=CN21	REAL250005026012	0	26	-1.0	-39.70	239.04	2.01	-37.69
C=CCOCC(C(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL250005026013	0	40	-1.0	-34.72	319.05	2.43	-32.29
CN1N=CC(C(F)F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026014	0	27	-1.0	-40.91	261.31	-0.39	-41.30
CC1=NN(C2CCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026015	0	34	-1.0	-36.10	290.73	1.56	-34.54
CC1(C)CCCOC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005026016	0	37	-1.0	-37.61	289.48	1.45	-36.16
O=C(C=CC1=CC=C(Cl)C=C1F)NCC1=NC(=O)O[N-]1	REAL250005026017	0	28	-1.0	-36.85	277.89	2.80	-34.05
CC(=O)NC(COC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005026018	0	37	-1.0	-42.21	313.27	-0.91	-43.12
CC1(C)OCC(CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005026019	0	35	-1.0	-37.04	297.02	-0.08	-37.12
COC1=NC=C(Cl)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026020	0	30	-1.0	-37.81	285.63	-1.36	-39.17
CC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)OC2	REAL250005026021	0	35	-1.0	-37.64	279.87	0.54	-37.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C=COC2=C1	REAL250005026022	0	27	-1.0	-38.88	248.29	1.40	-37.48
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL250005026023	0	30	-1.0	-38.69	283.21	1.72	-36.97
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(F)C2=CC=CC=C21	REAL250005026024	0	29	-1.0	-38.40	264.99	1.63	-36.77
CC1=C(C)NC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026025	0	30	-1.0	-52.19	262.63	-0.61	-52.80
CCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005026026	0	30	-1.0	-42.81	268.71	0.20	-42.61
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(F)=C1	REAL250005026027	0	33	-1.0	-37.13	293.28	3.08	-34.05
CCCN1C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026028	0	31	-1.0	-38.54	268.86	2.13	-36.41
CC(C)(C)N1C=C(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005026029	0	36	-1.0	-40.50	308.51	1.54	-38.96
CC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)C(F)=C1	REAL250005026030	0	34	-1.0	-39.44	300.33	3.66	-35.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL250005026031	0	25	-1.0	-36.03	252.51	0.16	-35.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1O	REAL250005026031	1	25	-1.0	-36.03	252.51	0.16	-35.87
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC	REAL250005026032	0	35	-1.0	-42.98	303.55	0.25	-42.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL250005026033	0	34	-1.0	-41.73	298.74	2.09	-39.64
CC1=NNC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005026034	0	34	-1.0	-38.25	285.35	0.38	-37.87
CC1=C2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=NN1	REAL250005026034	1	34	-1.0	-38.25	285.35	0.38	-37.87
C=C1CCC1(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC	REAL250005026035	0	31	-1.0	-36.53	275.82	1.28	-35.25
NS(=O)(=O)C1=COC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026036	0	26	-1.0	-43.39	261.80	-6.06	-49.45
N#CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2C=C1	REAL250005026037	0	28	-1.0	-42.07	269.57	1.19	-40.88
O=C(NCC1=NC(=O)O[N-]1)C1=CN2N=NC=C2C=C1	REAL250005026038	0	26	-1.0	-38.26	242.93	-0.45	-38.71
C[C@@H]1CC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C2[C@H](C)O1	REAL250005026039	0	35	-1.0	-35.62	297.82	-0.95	-36.57
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CCO)N=N1	REAL250005026040	0	27	-1.0	-42.63	255.19	-5.13	-47.76
O=C(CCNC1=CN=CN=C1)NCC1=NC(=O)O[N-]1	REAL250005026041	0	30	-1.0	-38.77	270.66	-1.29	-40.06
O=C(CC1CC2(CCC2)C1)NCC1=NC(=O)O[N-]1	REAL250005026042	0	34	-1.0	-35.96	282.52	2.66	-33.30
O=C(NCC1=NC(=O)O[N-]1)C1CCCC(F)(F)CC1	REAL250005026043	0	33	-1.0	-37.50	266.52	1.87	-35.63
O=C(C[C@@H](O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005026044	0	31	-1.0	-38.87	274.03	0.25	-38.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL250005026045	0	31	-1.0	-38.94	282.60	3.28	-35.66
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC=NN2C1	REAL250005026046	0	31	-1.0	-39.09	266.53	0.31	-38.78
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=NSC2=CC=C1	REAL250005026047	0	26	-1.0	-37.09	248.77	1.10	-35.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=NON=C21	REAL250005026048	0	25	-1.0	-41.33	237.39	-0.11	-41.44
CN1C=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005026049	0	28	-1.0	-41.10	259.46	-0.60	-41.70
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C2CC2)=NO1	REAL250005026050	0	32	-1.0	-40.69	281.65	0.60	-40.09
O=C(NCC1=NC(=O)O[N-]1)C1=NC(C2CC2)=NC=C1Cl	REAL250005026051	0	29	-1.0	-37.40	278.47	1.29	-36.11
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC1(F)F	REAL250005026052	0	31	-1.0	-38.54	283.96	2.87	-35.67
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=NNN=C2)CCCC1	REAL250005026053	0	36	-1.0	-39.99	297.43	0.05	-39.94
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CNN=N2)CCCC1	REAL250005026053	1	36	-1.0	-39.99	297.43	0.05	-39.94
C#CC1=CC=C(C2CC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005026054	0	33	-1.0	-39.67	292.93	4.18	-35.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C=N1	REAL250005026055	0	32	-1.0	-41.79	284.94	1.83	-39.96
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCC2)CC1(F)F	REAL250005026056	0	31	-1.0	-37.71	264.75	2.29	-35.42
CC(C)[C@@H]1CCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026057	0	36	-1.0	-35.61	283.08	2.31	-33.30
O=C(NCC1=NC(=O)O[N-]1)C1=C2C(=O)NCCN2N=C1	REAL250005026058	0	29	-1.0	-47.99	260.14	-2.22	-50.21
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)CC12CCC2	REAL250005026059	0	33	-1.0	-41.12	276.03	1.48	-39.64
CC1=CNC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005026060	0	30	-1.0	-40.64	269.40	1.00	-39.64
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=CN=C2C1	REAL250005026061	0	30	-1.0	-38.72	262.93	1.02	-37.70
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2CC2)=NO1	REAL250005026062	0	29	-1.0	-40.14	262.38	1.01	-39.13
CN1C=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CO2)C=N1	REAL250005026063	0	30	-1.0	-45.13	284.99	-2.80	-47.93
CC1=CN2C(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2S1	REAL250005026064	0	27	-1.0	-36.48	257.95	1.47	-35.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Cl)S1	REAL250005026065	0	21	-1.0	-32.98	246.30	1.15	-31.83
CC(C)(C)C1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026066	0	35	-1.0	-39.80	295.14	1.68	-38.12
COC1CC2(C1)CCC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005026067	0	41	-1.0	-36.71	324.19	1.92	-34.79
CCC(C)(C)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026068	0	45	-1.0	-35.16	329.93	3.78	-31.38
CC1=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2C=C1	REAL250005026069	0	32	-1.0	-38.97	283.80	2.08	-36.89
CN1C=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)N=N1	REAL250005026070	0	29	-1.0	-43.79	278.69	-1.35	-45.14
O=C(NCC1=NC(=O)O[N-]1)C1COC2COCC21	REAL250005026071	0	30	-1.0	-35.31	253.29	-2.62	-37.93
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC(=O)C2)CC1	REAL250005026072	0	36	-1.0	-39.76	294.25	2.09	-37.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL250005026073	0	31	-1.0	-41.38	277.06	0.78	-40.60
CCC(CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005026074	0	39	-1.0	-36.81	322.38	4.59	-32.22
COC1(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005026075	0	34	-1.0	-35.29	280.31	0.68	-34.61
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCC(F)(F)CC2	REAL250005026076	0	34	-1.0	-37.01	287.45	2.67	-34.34
COC(=O)C1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026077	0	27	-1.0	-39.09	269.18	0.69	-38.40
CC(C)(C)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026078	0	35	-1.0	-36.82	292.62	1.57	-35.25
COC1CC(CC(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005026079	0	37	-1.0	-37.89	302.06	0.93	-36.96
O=C(NCC1=NC(=O)O[N-]1)C12CCCN1C(=O)CCCC2	REAL250005026080	0	38	-1.0	-43.40	291.17	1.77	-41.63
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC2(F)F)C1	REAL250005026081	0	31	-1.0	-36.09	273.85	2.10	-33.99
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2C1C2(F)F	REAL250005026082	0	31	-1.0	-39.53	263.51	1.95	-37.58
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005026083	0	35	-1.0	-41.26	296.76	2.81	-38.45
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026084	0	42	-1.0	-34.75	300.87	3.10	-31.65
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)F)=NN1C	REAL250005026085	0	30	-1.0	-43.51	281.92	0.03	-43.48
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026086	0	35	-1.0	-44.39	296.76	-0.17	-44.56
CCC1=CC=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005026087	0	29	-1.0	-37.55	276.62	1.51	-36.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CCCC2)=NN1	REAL250005026088	0	34	-1.0	-35.23	287.49	0.60	-34.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCC(=O)N2	REAL250005026089	0	32	-1.0	-38.13	275.17	0.21	-37.92
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC2=C1CCNC2=O	REAL250005026090	0	31	-1.0	-37.82	270.43	-2.29	-40.11
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC=C1C(F)F	REAL250005026091	0	29	-1.0	-39.29	268.33	0.75	-38.54
CN(C)C(=O)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026092	0	33	-1.0	-43.03	285.57	-1.12	-44.15
O=C(NCC1=NC(=O)O[N-]1)C1CCC2C1C2(F)F	REAL250005026093	0	28	-1.0	-40.68	244.30	1.25	-39.43
COC1=CC=CC=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005026094	0	35	-1.0	-41.95	300.55	1.98	-39.97
CC1=C(Cl)C=NN1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005026095	0	27	-1.0	-39.16	264.07	0.11	-39.05
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C2CCCO2)O1	REAL250005026096	0	36	-1.0	-37.77	299.73	0.35	-37.42
CC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005026097	0	29	-1.0	-40.50	272.49	2.43	-38.07
CN1N=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005026098	0	29	-1.0	-49.10	263.91	-0.31	-49.41
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2OCCCC2=C1	REAL250005026099	0	31	-1.0	-40.00	269.88	-1.45	-41.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=NC=C2)=NO1	REAL250005026100	0	29	-1.0	-37.74	275.03	0.29	-37.45
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL250005026101	0	33	-1.0	-35.15	298.89	3.44	-31.71
CC1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)S1	REAL250005026102	0	27	-1.0	-37.30	272.25	2.35	-34.95
O=C(CC12CCC(CC1)C2)NCC1=NC(=O)O[N-]1	REAL250005026103	0	34	-1.0	-35.94	269.29	2.30	-33.64
O=C(NCC1=NC(=O)O[N-]1)C1CC=CC2=CC=CC=C21	REAL250005026104	0	32	-1.0	-37.56	276.73	3.27	-34.29
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=NN=C2C=N1	REAL250005026105	0	25	-1.0	-40.59	239.24	0.61	-39.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=NC=CC=C12	REAL250005026106	0	29	-1.0	-38.01	256.93	1.41	-36.60
COC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(F)C=N1	REAL250005026107	0	29	-1.0	-39.47	276.68	-0.02	-39.49
CC1=CC2=C(OCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026108	0	32	-1.0	-42.24	277.47	2.47	-39.77
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC=CC2=CN=C1	REAL250005026109	0	26	-1.0	-39.54	250.83	0.64	-38.90
CC(C)C(C)C(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005026110	0	38	-1.0	-35.27	290.65	2.25	-33.02
COC1CC2(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005026111	0	35	-1.0	-36.50	294.76	0.84	-35.66
CC1(C)CCC(C(=O)NCC2=NC(=O)O[N-]2)CO1	REAL250005026112	0	34	-1.0	-35.66	272.73	0.08	-35.58
O=C(CC1CCCNC(=O)C1)NCC1=NC(=O)O[N-]1	REAL250005026113	0	34	-1.0	-46.95	277.98	-1.42	-48.37
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC1C(F)(F)F	REAL250005026114	0	27	-1.0	-38.61	243.69	1.18	-37.43
O=C(NCC1=NC(=O)O[N-]1)C1CCCCC12CCC2	REAL250005026115	0	37	-1.0	-35.78	283.52	3.14	-32.64
CC12CC(C(=O)NCC3=NC(=O)O[N-]3)(CO1)CCC2	REAL250005026116	0	35	-1.0	-35.60	277.68	0.30	-35.30
O=C(NCC1=NC(=O)O[N-]1)C12CCCC1C2(F)F	REAL250005026117	0	28	-1.0	-36.29	250.40	1.44	-34.85
CN1C=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005026118	0	30	-1.0	-48.42	269.01	2.54	-45.88
O=C(NCC1=NC(=O)O[N-]1)C12CCCCC1C2(F)F	REAL250005026119	0	31	-1.0	-36.21	262.56	1.87	-34.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=NN1	REAL250005026120	0	30	-1.0	-38.64	279.24	-0.61	-39.25
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CNC2=C1	REAL250005026121	0	27	-1.0	-58.71	251.09	-0.80	-59.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2N=NC=C12	REAL250005026122	0	26	-1.0	-41.08	241.67	-0.47	-41.55
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CCOCC2)ON=C1	REAL250005026124	0	34	-1.0	-35.16	292.08	0.21	-34.95
CP(C)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026125	0	33	-1.0	-44.55	301.17	0.61	-43.94
COCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005026126	0	29	-1.0	-36.67	262.69	-1.46	-38.13
CN1C=NC2=C1CCCC2C(=O)NCC1=NC(=O)O[N-]1	REAL250005026127	0	34	-1.0	-45.35	285.49	2.93	-42.42
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C(C)C(C)C	REAL250005026128	0	39	-1.0	-39.57	321.61	2.27	-37.30
CCCSC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026129	0	34	-1.0	-37.64	304.27	3.71	-33.93
COC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005026130	0	27	-1.0	-38.65	263.06	-1.58	-40.23
CC1=NN(C)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026131	0	30	-1.0	-40.23	268.68	-0.16	-40.39
CC1=NC=NC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005026132	0	35	-1.0	-36.82	291.95	1.94	-34.88
CC(C)N(C)C(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005026133	0	36	-1.0	-39.59	301.12	0.53	-39.06
CC1C(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)C1C	REAL250005026134	0	33	-1.0	-43.61	292.74	-0.06	-43.67
O=C(CC1=CSC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005026135	0	24	-1.0	-36.23	252.77	1.28	-34.95
O=C(NCC1=NC(=O)O[N-]1)C12CCC(F)(CC1)C2	REAL250005026136	0	31	-1.0	-35.03	260.94	1.58	-33.45
CC(C)OC1=CC=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026137	0	34	-1.0	-40.74	294.64	3.20	-37.54
CC(CC(=O)NCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL250005026138	0	29	-1.0	-37.55	258.43	1.10	-36.45
CC1(C)CC2(CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026139	0	34	-1.0	-36.14	282.09	2.55	-33.59
O=C(CC1CCC2(CCCC2)CC1)NCC1=NC(=O)O[N-]1	REAL250005026140	0	43	-1.0	-35.57	323.52	4.14	-31.43
O=C(NCC1=NC(=O)O[N-]1)C1CCCC12CCC2	REAL250005026141	0	34	-1.0	-36.33	273.33	2.34	-33.99
CC1COC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005026142	0	32	-1.0	-41.94	276.64	2.43	-39.51
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2CCOCC2=C1	REAL250005026143	0	31	-1.0	-37.88	270.07	-0.68	-38.56
O=C(CC1COCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005026144	0	35	-1.0	-37.60	291.08	1.58	-36.02
C#CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005026145	0	30	-1.0	-39.38	281.90	2.81	-36.57
CC1=NN=C2CC(C(=O)NCC3=NC(=O)O[N-]3)CN12	REAL250005026146	0	30	-1.0	-41.46	264.58	1.14	-40.32
O=C(CC1CCCCCC1(F)F)NCC1=NC(=O)O[N-]1	REAL250005026147	0	36	-1.0	-37.57	282.95	2.38	-35.19
C=C1CC(C(=O)NCC2=NC(=O)O[N-]2)(C(F)F)C1	REAL250005026148	0	28	-1.0	-34.62	254.41	1.24	-33.38
CCOC(=O)[C@H]1C[C@@](F)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026149	0	33	-1.0	-38.15	295.16	1.65	-36.50
CCOC(=O)[C@H]1C[C@](F)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026150	0	33	-1.0	-36.39	294.30	1.62	-34.77
CC12CC(CC(=O)NCC3=NC(=O)O[N-]3)(C1)CO2	REAL250005026151	0	32	-1.0	-38.42	268.36	-0.06	-38.48
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCS1(=O)=O	REAL250005026152	0	33	-1.0	-42.41	285.81	-1.94	-44.35
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL250005026153	0	37	-1.0	-35.95	282.27	2.69	-33.26
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL250005026154	0	38	-1.0	-36.60	309.09	4.61	-31.99
CC(C1CC1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005026155	0	38	-1.0	-38.47	312.59	1.53	-36.94
CCC1=CN2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=N1	REAL250005026156	0	37	-1.0	-37.37	309.17	2.51	-34.86
O=C(CCC12CCC(CC1)C2)NCC1=NC(=O)O[N-]1	REAL250005026157	0	37	-1.0	-35.23	294.35	3.04	-32.19
O=C(CC12CC(C1)C(=O)NC2)NCC1=NC(=O)O[N-]1	REAL250005026158	0	32	-1.0	-40.56	268.78	-1.77	-42.33
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CN=C2)=N1	REAL250005026159	0	29	-1.0	-42.22	271.47	0.97	-41.25
CC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C#N	REAL250005026160	0	27	-1.0	-35.38	256.31	0.15	-35.23
O=C(NCC1=NC(=O)O[N-]1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL250005026161	0	31	-1.0	-43.45	281.04	-2.31	-45.76
CC1CCC(OCCCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026162	0	43	-1.0	-37.53	343.43	2.96	-34.57
CCC1(C)CCC(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005026163	0	34	-1.0	-38.12	280.13	1.31	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SN=CC2=C1	REAL250005026164	0	26	-1.0	-36.02	252.71	1.24	-34.78
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CCC2)CO1	REAL250005026165	0	32	-1.0	-37.76	268.50	1.06	-36.70
O=C(CC1CCCCC1(F)F)NCC1=NC(=O)O[N-]1	REAL250005026166	0	33	-1.0	-35.59	275.56	2.05	-33.54
CN1N=CC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005026167	0	34	-1.0	-38.88	296.36	2.02	-36.86
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CC(F)C2)C1	REAL250005026168	0	31	-1.0	-36.04	267.96	1.97	-34.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CN=NN2C=C1	REAL250005026169	0	26	-1.0	-37.87	242.53	-0.38	-38.25
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=NC=CC=C21	REAL250005026170	0	33	-1.0	-37.45	277.99	1.74	-35.71
CN1C=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005026171	0	28	-1.0	-40.03	269.46	0.02	-40.01
O=C(CCC1=C(F)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005026172	0	30	-1.0	-38.03	286.51	2.98	-35.05
O=C(CC1CC2(CCC2)CO1)NCC1=NC(=O)O[N-]1	REAL250005026173	0	35	-1.0	-38.87	289.21	1.54	-37.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CCF)C=C1	REAL250005026174	0	30	-1.0	-37.28	270.60	2.63	-34.65
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CSC=C2C1	REAL250005026175	0	28	-1.0	-35.37	258.22	1.73	-33.64
CC1=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC2=N1	REAL250005026176	0	30	-1.0	-38.10	269.36	2.21	-35.89
[N-]=[N+]=NC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026177	0	25	-1.0	-34.15	243.82	-3.00	-37.15
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026179	0	32	-1.0	-38.32	273.96	-1.87	-40.19
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026180	0	32	-1.0	-35.17	276.34	-2.13	-37.30
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026181	0	30	-1.0	-35.23	267.97	-2.18	-37.41
[N-]=[N+]=NCC(F)(F)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005026182	0	28	-1.0	-37.51	269.77	-2.92	-40.43
[N-]=[N+]=NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026183	0	29	-1.0	-37.12	258.43	-2.73	-39.85
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=CNC2=N1	REAL250005026184	0	29	-1.0	-42.97	264.54	0.14	-42.83
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005026185	0	32	-1.0	-37.40	293.55	0.32	-37.08
CCC1=CC=CC(CC)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005026186	0	39	-1.0	-36.57	314.09	4.00	-32.57
CC1(C)CCCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026187	0	39	-1.0	-35.00	287.47	2.58	-32.42
CC(C)[C@H]1CC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026188	0	39	-1.0	-35.98	296.28	2.87	-33.11
CC(C)N1C=C(C2CC2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005026189	0	37	-1.0	-39.24	318.32	2.28	-36.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL250005026190	0	31	-1.0	-40.19	285.40	1.61	-38.58
COC1=CN=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026191	0	26	-1.0	-40.83	243.17	-2.52	-43.35
CC1CC(=O)NCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026192	0	31	-1.0	-37.59	263.07	-2.18	-39.77
NC(=O)C1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026193	0	28	-1.0	-41.71	262.03	-2.09	-43.80
CC1(C)C(C)(C)C1(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005026194	0	33	-1.0	-35.79	272.00	2.01	-33.78
COC1(C#N)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026195	0	29	-1.0	-37.28	263.39	-0.89	-38.17
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2(CCCCC2)C1	REAL250005026196	0	41	-1.0	-35.59	312.36	2.05	-33.54
CC1(C)CC(CC(=O)NCC2=NC(=O)O[N-]2)CO1	REAL250005026197	0	34	-1.0	-37.42	281.51	0.29	-37.13
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC=C21	REAL250005026198	0	36	-1.0	-38.35	303.57	4.38	-33.97
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(F)=C1F	REAL250005026199	0	28	-1.0	-35.50	263.09	0.48	-35.02
O=C(CC1CCC(=O)NC1=O)NCC1=NC(=O)O[N-]1	REAL250005026200	0	30	-1.0	-46.39	262.45	-1.30	-47.69
O=C(NCC1=NC(=O)O[N-]1)C1CCCCC(=O)C1	REAL250005026201	0	32	-1.0	-38.86	261.13	0.87	-37.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NNC=C2)=C1	REAL250005026202	0	31	-1.0	-44.29	280.02	1.09	-43.20
CC1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C21	REAL250005026203	0	30	-1.0	-37.82	269.62	0.37	-37.45
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CCOCC2)O1	REAL250005026204	0	36	-1.0	-38.72	294.61	0.25	-38.47
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CCC2)O1	REAL250005026205	0	32	-1.0	-38.39	270.14	1.30	-37.09
CC(F)(F)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005026206	0	29	-1.0	-38.07	272.48	1.10	-36.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1COC2	REAL250005026207	0	29	-1.0	-38.05	254.61	0.35	-37.70
CC1CCCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026208	0	36	-1.0	-34.99	278.36	2.40	-32.59
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL250005026209	0	30	-1.0	-36.47	275.35	2.70	-33.77
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=NC=CN2C=C1	REAL250005026210	0	26	-1.0	-49.47	244.91	2.23	-47.24
CCCN1C=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005026211	0	30	-1.0	-42.23	284.69	0.94	-41.29
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Cl)N=C1C	REAL250005026212	0	29	-1.0	-37.69	267.41	0.86	-36.83
COC(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026213	0	33	-1.0	-40.78	283.98	1.27	-39.51
O=C(NCC1=NC(=O)O[N-]1)C1(C2=NC=CC=C2F)CC1	REAL250005026214	0	30	-1.0	-40.06	278.05	1.17	-38.89
CC1=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1	REAL250005026215	0	24	-1.0	-34.85	239.77	-1.39	-36.24
CC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005026215	1	24	-1.0	-34.85	239.77	-1.39	-36.24
NC(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026216	0	28	-1.0	-49.28	260.14	-2.07	-51.35
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=C(F)C=C1)C1CC1	REAL250005026217	0	34	-1.0	-35.84	301.40	3.84	-32.00
CC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)CCO2	REAL250005026218	0	32	-1.0	-35.38	262.99	-0.13	-35.51
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NCC3=NC(=O)O[N-]3)C[C@@H]12	REAL250005026219	0	27	-1.0	-37.74	254.86	-2.66	-40.40
[N-]=[N+]=NC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)C2	REAL250005026220	0	33	-1.0	-34.56	283.14	-1.85	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CCC2)=NO1	REAL250005026221	0	30	-1.0	-36.31	267.40	1.02	-35.29
CC(C)C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026222	0	31	-1.0	-39.86	272.61	0.83	-39.03
CC1=CC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005026223	0	27	-1.0	-35.49	268.17	1.61	-33.88
[N-]=[N+]=NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026224	0	26	-1.0	-34.72	248.70	-1.25	-35.97
[N-]=[N+]=NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005026225	0	26	-1.0	-39.66	257.39	-3.48	-43.14
[N-]=[N+]=NCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005026226	0	34	-1.0	-36.79	301.87	-1.49	-38.28
[N-]=[N+]=NCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026227	0	29	-1.0	-37.54	272.66	-1.67	-39.21
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(N=[N+]=[N-])=C1	REAL250005026228	0	29	-1.0	-37.69	268.66	-0.29	-37.98
CCOCC(N=[N+]=[N-])C(=O)NCC1=NC(=O)O[N-]1	REAL250005026229	0	29	-1.0	-34.89	271.06	-4.62	-39.51
CN1C=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005026230	0	27	-1.0	-38.30	259.82	-0.37	-38.67
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCNC1=O	REAL250005026231	0	34	-1.0	-45.43	271.95	-1.70	-47.13
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2CCC2)C1	REAL250005026232	0	34	-1.0	-36.11	280.76	2.68	-33.43
CCNC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026233	0	39	-1.0	-41.19	317.84	-0.14	-41.33
C#CC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026234	0	30	-1.0	-40.80	281.92	2.81	-37.99
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2(CCC2)C1	REAL250005026235	0	37	-1.0	-35.26	290.76	2.94	-32.32
CC(C)[C@@H](NC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005026236	0	32	-1.0	-37.66	269.45	-4.39	-42.05
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC(C2CC2)=N1	REAL250005026237	0	37	-1.0	-42.81	312.14	2.47	-40.34
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCCCCCC21	REAL250005026238	0	40	-1.0	-35.45	296.23	3.22	-32.23
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCS1	REAL250005026239	0	31	-1.0	-34.89	267.24	1.71	-33.18
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CC3(CC3)CC2=C1	REAL250005026240	0	32	-1.0	-42.80	282.49	0.97	-41.83
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=NC=C2)CC1	REAL250005026241	0	30	-1.0	-38.81	267.06	1.02	-37.79
COC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)C2	REAL250005026242	0	35	-1.0	-36.05	285.61	0.34	-35.71
O=C(CC1=CC=C2OC=NC2=C1)NCC1=NC(=O)O[N-]1	REAL250005026243	0	29	-1.0	-42.77	267.48	-1.37	-44.14
COC1CC(CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026244	0	34	-1.0	-37.61	288.93	0.55	-37.06
CCCCC[C@@H](O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005026245	0	36	-1.0	-38.41	302.40	0.23	-38.18
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026246	0	30	-1.0	-37.34	281.19	1.10	-36.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N2C=CC=CC2=N1	REAL250005026247	0	30	-1.0	-41.96	272.96	1.88	-40.08
CC(C)CC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005026248	0	34	-1.0	-38.38	295.97	1.08	-37.30
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(CC(C3)O1)C2	REAL250005026249	0	36	-1.0	-38.29	279.47	1.00	-37.29
CC1=CC=C(C(C(=O)NCC2=NC(=O)O[N-]2)C2CC2)C=C1	REAL250005026250	0	37	-1.0	-36.71	316.41	4.45	-32.26
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC=NC2=C1Cl	REAL250005026251	0	26	-1.0	-46.59	261.87	0.35	-46.24
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N2C=CC=CC2=N1	REAL250005026252	0	33	-1.0	-41.94	294.45	2.61	-39.33
CC1=CC(F)=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026253	0	34	-1.0	-36.57	296.65	3.41	-33.16
CC1=CC=C(F)C=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026254	0	34	-1.0	-37.16	296.53	3.40	-33.76
CCC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005026255	0	29	-1.0	-39.86	260.44	0.54	-39.32
COC(=O)[C@@H]1C[C@@]1(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005026256	0	36	-1.0	-44.15	303.04	1.85	-42.30
O=C(NCC1=NC(=O)O[N-]1)C1(F)CC2(CCC2)C1	REAL250005026257	0	31	-1.0	-35.30	267.71	1.92	-33.38
O=C(NCC1=NC(=O)O[N-]1)C1CCCCNC1=O	REAL250005026258	0	31	-1.0	-37.35	247.38	-1.55	-38.90
O=C(NCC1=NC(=O)O[N-]1)C1=NNC=C1C1CCC1	REAL250005026259	0	31	-1.0	-42.29	268.41	0.15	-42.14
CC1CC(C)(C(=O)NCC2=NC(=O)O[N-]2)CC(C)O1	REAL250005026260	0	37	-1.0	-35.86	293.17	0.85	-35.01
COCCN1C=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005026261	0	34	-1.0	-52.43	297.97	0.15	-52.28
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(=O)CCC2=CC=C1	REAL250005026262	0	32	-1.0	-43.50	276.00	0.66	-42.84
O=C(NCC1=NC(=O)O[N-]1)[C@]12COC[C@H]1C2(F)F	REAL250005026263	0	26	-1.0	-36.40	242.84	-1.14	-37.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN(C2CCC2)C1=O	REAL250005026264	0	34	-1.0	-55.33	287.31	2.00	-53.33
CCC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005026265	0	33	-1.0	-36.91	286.78	2.80	-34.11
O=C(CC1=C2NC=CC=C2N=C1)NCC1=NC(=O)O[N-]1	REAL250005026266	0	30	-1.0	-51.06	272.12	-0.09	-51.15
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=C1CCCC2	REAL250005026267	0	35	-1.0	-37.25	289.46	1.93	-35.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(CC2CCC2)=CN1	REAL250005026268	0	35	-1.0	-37.13	299.77	2.37	-34.76
COC(=O)C1=CSC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026269	0	30	-1.0	-40.74	292.18	1.52	-39.22
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005026270	0	27	-1.0	-36.70	250.82	1.51	-35.19
CCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005026271	0	32	-1.0	-42.79	286.76	-0.23	-43.02
C[C@H]1C(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)[C@H]1C	REAL250005026272	0	33	-1.0	-43.51	287.05	-0.20	-43.71
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CNC(=O)C2)CC1	REAL250005026273	0	38	-1.0	-42.98	302.94	-0.85	-43.83
COC(=O)[C@@H]1[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005026274	0	33	-1.0	-39.67	282.70	1.30	-38.37
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2CCOCC2)=NO1	REAL250005026275	0	36	-1.0	-40.50	304.82	0.32	-40.18
CC1=NOC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL250005026276	0	32	-1.0	-40.07	278.34	0.23	-39.84
CCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL250005026277	0	33	-1.0	-42.01	289.62	0.83	-41.18
CCCC1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026278	0	33	-1.0	-35.50	286.29	0.90	-34.60
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCC2=NNC1=O	REAL250005026280	0	33	-1.0	-45.51	275.82	-0.69	-46.20
CC(C)CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005026281	0	32	-1.0	-38.93	282.10	1.19	-37.74
CC1=C(C2CC2)ON=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026282	0	30	-1.0	-39.70	271.02	1.34	-38.36
O=C(NCC1=NC(=O)O[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL250005026283	0	29	-1.0	-35.83	270.40	-0.35	-36.18
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2COCCC2=C1	REAL250005026284	0	31	-1.0	-37.59	270.08	-0.68	-38.27
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026285	0	32	-1.0	-34.38	283.28	3.09	-31.29
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC2=NNC=C21	REAL250005026286	0	27	-1.0	-40.52	258.19	-0.35	-40.87
O=C(NCC1=NC(=O)O[N-]1)C(F)C1CCOCC1	REAL250005026287	0	31	-1.0	-35.62	265.41	-0.46	-36.08
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CC=N2)=N1	REAL250005026288	0	29	-1.0	-37.28	273.92	-0.27	-37.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=CN=CC=C21	REAL250005026289	0	29	-1.0	-37.71	263.36	1.60	-36.11
CC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005026290	0	34	-1.0	-46.02	293.57	1.82	-44.20
O=C(C#CC1=CC=C(F)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005026291	0	26	-1.0	-36.17	265.62	2.51	-33.66
CC(C)(C)C1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026292	0	35	-1.0	-40.49	278.78	1.46	-39.03
CC1=C(F)C=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026293	0	34	-1.0	-37.40	295.36	3.36	-34.04
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CCCC1	REAL250005026294	0	34	-1.0	-36.15	289.23	3.25	-32.90
C=C(C)[C@@H]1OCCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026295	0	35	-1.0	-35.09	287.74	0.84	-34.25
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC2=NNN=C21	REAL250005026296	0	29	-1.0	-38.10	262.39	-1.03	-39.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC=C2)=N1	REAL250005026297	0	31	-1.0	-44.51	281.52	3.19	-41.32
O=C(CCC1=CC=C2OC=NC2=C1)NCC1=NC(=O)O[N-]1	REAL250005026298	0	32	-1.0	-41.62	288.88	-0.56	-42.18
CC1(C)NC(=O)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026299	0	31	-1.0	-36.96	264.20	-2.45	-39.41
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1NC(=O)[C@H]2CC[C@H]21	REAL250005026300	0	29	-1.0	-38.67	253.29	-2.28	-40.95
CC1=C(C(N)=O)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026301	0	31	-1.0	-43.09	265.81	-1.48	-44.57
CC1CC(CC(=O)NCC2=NC(=O)O[N-]2)C(C)O1	REAL250005026302	0	34	-1.0	-35.68	276.61	0.14	-35.54
CCC1=CN2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2=N1	REAL250005026303	0	37	-1.0	-41.10	309.28	2.55	-38.55
O=C(CC1CCCC2CCCCC12)NCC1=NC(=O)O[N-]1	REAL250005026304	0	43	-1.0	-34.86	316.51	3.93	-30.93
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=CC2=NS1	REAL250005026305	0	26	-1.0	-38.07	251.98	0.98	-37.09
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(F)=C1	REAL250005026306	0	24	-1.0	-34.84	236.57	0.85	-33.99
CC1(C)[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H]1C(F)F	REAL250005026307	0	30	-1.0	-38.63	253.58	1.33	-37.30
CN1N=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005026308	0	29	-1.0	-49.10	263.91	-0.31	-49.41
CCOC1=CC=C(Cl)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005026309	0	30	-1.0	-44.42	284.56	1.24	-43.18
COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005026310	0	29	-1.0	-35.50	259.66	-3.59	-39.09
COC(=O)CC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026311	0	33	-1.0	-37.54	289.07	1.41	-36.13
CC(CC1=CC=NC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005026312	0	32	-1.0	-36.73	277.49	1.25	-35.48
O=C(NCC1=NC(=O)O[N-]1)C1CC(N2C=CN=C2)C1	REAL250005026313	0	31	-1.0	-41.03	271.22	2.05	-38.98
CC(C)CCCOCC(=O)NCC1=NC(=O)O[N-]1	REAL250005026314	0	36	-1.0	-37.61	302.37	1.94	-35.67
CC1=CC=CC(C(O)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005026315	0	31	-1.0	-36.42	274.74	0.46	-35.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2=O)N1	REAL250005026316	0	31	-1.0	-42.48	274.48	0.39	-42.09
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CC1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005027173	0	39	-1.0	-45.55	301.57	2.88	-42.67
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CCC(CC1CCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027176	0	42	-1.0	-45.58	325.25	3.59	-41.99
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CC(CC1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027208	0	36	-1.0	-46.03	305.62	3.43	-42.60
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CC1=CC=CC(C(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005027211	0	36	-1.0	-46.70	305.26	3.44	-43.26
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CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC=C1	REAL250005027213	0	30	-1.0	-46.13	274.93	1.79	-44.34
CSC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005027214	0	34	-1.0	-46.78	306.43	3.46	-43.32
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=CO1	REAL250005027215	0	29	-1.0	-44.78	261.80	-2.26	-47.04
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CC(C)(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027220	0	39	-1.0	-44.77	318.92	3.87	-40.90
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CC(=O)N[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)C(N)=O	REAL250005027222	0	34	-1.0	-56.99	303.05	-5.08	-62.07
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CC(OC1=CC=CN=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027225	0	33	-1.0	-51.37	289.32	0.95	-50.42
CC1CCC(=CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005027226	0	37	-1.0	-44.69	299.36	2.97	-41.72
CSCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005027227	0	33	-1.0	-45.64	295.65	2.02	-43.62
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL250005027228	0	33	-1.0	-47.65	292.54	-0.80	-48.45
CC1=NC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005027229	0	28	-1.0	-42.75	270.13	0.09	-42.66
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CC1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C2C=C1	REAL250005027232	0	35	-1.0	-57.16	303.98	2.94	-54.22
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=CC=CN12	REAL250005027233	0	33	-1.0	-52.91	293.01	2.66	-50.25
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC(F)=CC=C2O1	REAL250005027234	0	32	-1.0	-50.19	288.63	2.50	-47.69
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(=O)NC1=O	REAL250005027237	0	29	-1.0	-43.01	263.39	-5.87	-48.88
NC(=O)C1=NC=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027238	0	29	-1.0	-54.62	270.00	-4.22	-58.84
COC(=O)C1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005027239	0	39	-1.0	-48.51	317.22	2.26	-46.25
CCOC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005027240	0	33	-1.0	-43.24	290.13	1.82	-41.42
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CC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005027243	0	36	-1.0	-45.82	283.40	2.26	-43.56
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL250005027245	0	29	-1.0	-43.17	267.79	-3.07	-46.24
CC(C)NC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027246	0	37	-1.0	-46.00	312.03	1.75	-44.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1F	REAL250005027247	0	26	-1.0	-48.89	243.13	-0.13	-49.02
CC(C)CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL250005027248	0	38	-1.0	-45.00	326.51	0.76	-44.24
CCC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005027249	0	36	-1.0	-46.97	310.82	3.66	-43.31
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1CCOCC1	REAL250005027251	0	35	-1.0	-46.05	287.50	-1.87	-47.92
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CC(C(=O)NCCC1=NC(=O)O[N-]1)=C1CCCC1	REAL250005027429	0	34	-1.0	-45.63	278.64	2.55	-43.08
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CCC(OC1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027432	0	43	-1.0	-47.05	344.06	3.77	-43.28
CCOC(CC(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL250005027433	0	39	-1.0	-46.73	316.39	1.96	-44.77
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COCCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL250005027435	0	40	-1.0	-45.77	320.63	1.34	-44.43
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CCC[C@@H](NC(N)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027441	0	35	-1.0	-45.13	294.22	-3.87	-49.00
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CC(OC1CCCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027444	0	43	-1.0	-48.52	335.10	3.37	-45.15
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CCC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005027447	0	34	-1.0	-49.56	286.20	1.40	-48.16
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL250005027448	0	36	-1.0	-45.92	285.77	2.21	-43.71
CC(C)CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL250005027449	0	39	-1.0	-44.60	300.60	3.01	-41.59
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CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL250005027451	0	30	-1.0	-51.42	268.16	2.24	-49.18
CC(C)OC1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005027452	0	36	-1.0	-44.42	307.74	0.61	-43.81
CC1=NN(C)C(C)=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005027453	0	37	-1.0	-51.44	324.78	1.05	-50.39
O=C(NCCC1=NC(=O)O[N-]1)C(C1CC1)C1CC1	REAL250005027454	0	34	-1.0	-45.16	291.79	2.80	-42.36
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CSCCC(O)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027456	0	31	-1.0	-46.05	283.94	-0.84	-46.89
O=C(NCCC1=NC(=O)O[N-]1)[C@H](O)C1=CC=CC=C1Cl	REAL250005027457	0	31	-1.0	-43.82	282.84	0.89	-42.93
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O=C(NCCC1=NC(=O)O[N-]1)[C@H](O)C1=CC=CC=C1	REAL250005027459	0	31	-1.0	-45.93	275.52	0.30	-45.63
COC1=CC=CC(C(O)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005027460	0	35	-1.0	-45.77	305.53	-0.44	-46.21
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CN1C=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL250005027463	0	33	-1.0	-55.09	291.60	2.87	-52.22
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CC1=CC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005027466	0	36	-1.0	-45.60	307.43	3.11	-42.49
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CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005027474	0	30	-1.0	-49.81	270.59	1.18	-48.63
CCCC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL250005027475	0	38	-1.0	-45.27	297.80	2.99	-42.28
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NC(=O)NC(CO)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027477	0	30	-1.0	-48.50	269.98	-8.32	-56.82
CN1CCOCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027479	0	33	-1.0	-45.16	274.53	-3.10	-48.26
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1F	REAL250005027480	0	33	-1.0	-44.50	290.28	2.88	-41.62
CC(C)N1C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027481	0	34	-1.0	-45.79	288.96	2.41	-43.38
CC1=C(C)NC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005027482	0	32	-1.0	-59.55	283.33	-0.80	-60.35
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CC(C)(C)CCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028120	0	41	-1.0	-45.52	327.64	3.25	-42.27
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CC1=CC=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL250005028127	0	35	-1.0	-47.45	302.34	2.45	-45.00
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CC1=NN=C(COCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL250005028130	0	32	-1.0	-56.45	303.60	-0.61	-57.06
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CC(C)OC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028137	0	36	-1.0	-51.78	310.32	1.36	-50.42
CC1=CSC(C(C)C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005028138	0	32	-1.0	-46.97	291.95	0.53	-46.44
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CC1=COC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL250005028141	0	30	-1.0	-44.75	266.80	0.91	-43.84
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CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CN1	REAL250005028143	0	31	-1.0	-47.87	270.09	0.71	-47.16
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CN1	REAL250005028144	0	34	-1.0	-48.12	290.24	1.30	-46.82
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CC1=NC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028146	0	32	-1.0	-49.43	279.74	0.88	-48.55
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250005028147	0	34	-1.0	-46.31	295.83	3.57	-42.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1F	REAL250005028148	0	29	-1.0	-47.06	276.04	2.28	-44.78
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CS1	REAL250005028149	0	24	-1.0	-46.52	249.16	1.06	-45.46
COC(=O)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CO1	REAL250005028150	0	33	-1.0	-49.69	300.51	1.12	-48.57
CN(C)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005028151	1	37	-1.0	-45.39	315.03	-0.88	-46.27
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CN1N=CC=C1COCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028153	0	34	-1.0	-55.03	303.24	0.29	-54.74
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL250005028154	0	34	-1.0	-45.28	281.93	0.74	-44.54
CC1=CSC(CCCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005028155	0	35	-1.0	-50.24	317.41	1.51	-48.73
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CC1=COC(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028157	0	30	-1.0	-45.99	272.14	0.95	-45.04
COC1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL250005028158	0	35	-1.0	-42.27	280.27	-1.67	-43.94
COCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC=N1	REAL250005028159	0	30	-1.0	-47.17	281.13	-1.66	-48.83
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC=C1	REAL250005028160	0	33	-1.0	-45.29	286.33	1.57	-43.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC2=NNN=C21	REAL250005028161	0	28	-1.0	-55.57	259.18	-1.81	-57.38
CC(C)(C)C(NC(N)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028162	0	38	-1.0	-44.19	304.93	-2.72	-46.91
CC(C)C1=NN=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL250005028163	0	31	-1.0	-42.73	290.75	-0.36	-43.09
O=C(CCCC1=NC=CS1)NCCC1=NC(=O)O[N-]1	REAL250005028164	0	32	-1.0	-49.89	295.61	0.92	-48.97
CC1=NC=CN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028165	0	30	-1.0	-52.57	269.51	1.09	-51.48
CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CC1(Cl)Cl	REAL250005028166	0	30	-1.0	-47.70	287.64	2.20	-45.50
COCC1=NN(C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028167	0	34	-1.0	-52.68	300.10	-1.07	-53.75
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005028168	0	27	-1.0	-44.62	264.93	-0.32	-44.94
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CC1(C=CC(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL250005028170	0	38	-1.0	-46.62	305.54	0.89	-45.73
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CN=C1F	REAL250005028171	0	29	-1.0	-43.90	265.05	0.32	-43.58
N#CC1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005028172	0	28	-1.0	-49.53	268.69	2.01	-47.52
CN1C=C(C=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028174	0	30	-1.0	-50.54	272.76	0.71	-49.83
CN1C(C=O)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028175	0	30	-1.0	-49.91	268.59	0.56	-49.35
O=CN1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028176	0	31	-1.0	-52.31	270.88	-0.59	-52.90
O=C(CCC1=NNN=C1)NCCC1=NC(=O)O[N-]1	REAL250005028177	0	29	-1.0	-45.97	263.12	-1.91	-47.88
O=C(CCC1=CNN=N1)NCCC1=NC(=O)O[N-]1	REAL250005028177	1	29	-1.0	-49.24	263.22	-1.84	-51.08
CCC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL250005028178	0	35	-1.0	-51.50	304.30	2.01	-49.49
CC1=CNC(CC(N)=O)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028179	0	35	-1.0	-57.54	313.63	-2.67	-60.21
O=C(CCC1(O)CCC1)NCCC1=NC(=O)O[N-]1	REAL250005028180	0	34	-1.0	-46.96	285.39	-1.11	-48.07
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC=C1C(N)=O	REAL250005028181	0	33	-1.0	-47.28	291.49	-2.72	-50.00
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC=CCC1	REAL250005028182	0	34	-1.0	-44.71	275.26	2.04	-42.67
CC1CC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2O1	REAL250005028183	0	35	-1.0	-53.10	299.41	3.06	-50.04
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(C)C)=N1	REAL250005028184	0	38	-1.0	-45.85	314.67	2.53	-43.32
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CC1=CN=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005028197	0	35	-1.0	-46.41	305.62	1.89	-44.52
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CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(C(C)C)=N1	REAL250005028199	0	35	-1.0	-42.95	304.58	-1.04	-43.99
CC(F)(F)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005028200	0	33	-1.0	-45.78	296.48	3.07	-42.71
CC(C)CC(CC(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028201	0	44	-1.0	-45.06	340.86	4.18	-40.88
O=C(CCCC(=O)C1CC1)NCCC1=NC(=O)O[N-]1	REAL250005028202	0	35	-1.0	-54.93	305.23	2.30	-52.63
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1CCC1	REAL250005028203	0	36	-1.0	-45.90	285.05	2.15	-43.75
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCSCC2	REAL250005028204	0	35	-1.0	-45.17	294.09	2.82	-42.35
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC=N1	REAL250005028205	0	32	-1.0	-44.79	288.80	0.64	-44.15
CC1=NC2=CC=NN2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028206	0	32	-1.0	-45.41	282.54	1.13	-44.28
CCCCCC(O)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028207	0	36	-1.0	-44.99	303.70	0.27	-44.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2NC=CC2=C1	REAL250005028208	0	30	-1.0	-49.04	269.67	0.81	-48.23
O=C(CSC(F)F)NCCC1=NC(=O)O[N-]1	REAL250005028209	0	24	-1.0	-45.98	244.13	0.07	-45.91
CCC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005028210	0	32	-1.0	-41.91	283.12	1.15	-40.76
O=C(NCCC1=NC(=O)O[N-]1)C1(C(=O)C2CC2)CC1	REAL250005028211	0	33	-1.0	-42.49	295.34	1.97	-40.52
CC(=O)C1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL250005028212	0	31	-1.0	-56.28	287.93	-1.25	-57.53
O=C(C#CC1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL250005028213	0	26	-1.0	-44.56	264.82	1.96	-42.60
CC(C)C[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028214	0	36	-1.0	-45.38	300.14	2.74	-42.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)N1	REAL250005028215	0	35	-1.0	-47.24	293.94	1.76	-45.48
O=C(CCC1CCC(=O)N1)NCCC1=NC(=O)O[N-]1	REAL250005028216	0	34	-1.0	-51.80	291.64	-1.30	-53.10
O=C(CC1=CC=C(O)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL250005028217	0	31	-1.0	-50.58	285.18	-0.56	-51.14
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCC1(F)F	REAL250005028218	0	33	-1.0	-46.71	277.08	2.02	-44.69
CC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1C	REAL250005028219	0	39	-1.0	-44.96	300.09	2.65	-42.31
C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028220	0	32	-1.0	-45.78	276.95	-0.11	-45.89
CC1=CC(F)=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL250005028221	0	33	-1.0	-47.60	300.06	2.97	-44.63
COC1COCCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028222	0	38	-1.0	-45.29	310.49	-0.83	-46.12
CCCC1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028223	0	39	-1.0	-45.59	313.26	3.23	-42.36
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL250005028224	0	27	-1.0	-46.71	262.07	-0.34	-47.05
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CCOC1=NOC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005028226	0	30	-1.0	-41.30	276.83	-2.09	-43.39
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NC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N1	REAL250005028231	0	29	-1.0	-49.06	267.79	-3.93	-52.99
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=CNC2=CC=N1	REAL250005028232	0	30	-1.0	-50.45	269.71	-0.13	-50.58
N#CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL250005028233	0	25	-1.0	-48.74	255.25	0.99	-47.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCCC2	REAL250005028234	0	37	-1.0	-46.40	300.25	4.03	-42.37
COC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028235	0	37	-1.0	-47.51	321.28	3.16	-44.35
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C1C(=O)CCC2	REAL250005028236	0	33	-1.0	-61.56	288.63	2.71	-58.85
CCC1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028237	0	36	-1.0	-45.58	291.76	2.45	-43.13
O=C(C=CC1CCOC1)NCCC1=NC(=O)O[N-]1	REAL250005028238	0	32	-1.0	-46.15	277.62	-0.09	-46.24
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2CCCC2=C1	REAL250005028239	0	31	-1.0	-49.25	272.76	0.16	-49.09
COC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1O	REAL250005028240	0	35	-1.0	-49.77	308.20	-0.65	-50.42
N#CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC12CCCC2	REAL250005028241	0	35	-1.0	-42.13	299.57	2.70	-39.43
CC1CCCC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028242	0	36	-1.0	-45.91	282.53	2.72	-43.19
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(C#N)N1	REAL250005028243	0	29	-1.0	-45.87	269.46	0.25	-45.62
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCCN2N=C1	REAL250005028244	0	31	-1.0	-48.94	272.07	0.08	-48.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NN=C1	REAL250005028245	0	26	-1.0	-48.09	243.24	-2.93	-51.02
C[Si](C)(C)CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028246	0	38	-1.0	-46.85	322.88	4.63	-42.22
CN1C=C(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005028247	0	32	-1.0	-44.48	294.45	0.68	-43.80
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=NC=CN2C1	REAL250005028248	0	34	-1.0	-47.44	287.99	1.67	-45.77
N#CC1=C(F)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL250005028249	0	28	-1.0	-44.55	275.87	2.00	-42.55
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028250	0	34	-1.0	-48.02	298.99	2.76	-45.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC(O)CO)N=C1	REAL250005028251	0	35	-1.0	-53.41	313.54	-5.49	-58.90
CC1=NN=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL250005028252	0	25	-1.0	-43.64	248.45	-1.70	-45.34
CC(F)(F)C(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028253	0	32	-1.0	-51.99	269.38	1.08	-50.91
CC(=O)N[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C(C)(C)C	REAL250005028254	0	39	-1.0	-43.53	314.54	0.04	-43.49
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCC1	REAL250005028255	0	30	-1.0	-41.98	266.74	1.53	-40.45
CCN1N=C(C)C(CC(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL250005028256	0	39	-1.0	-51.62	331.63	1.87	-49.75
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=NN1C	REAL250005028257	0	33	-1.0	-51.14	289.05	0.45	-50.69
O=C(NCCC1=NC(=O)O[N-]1)C1=C2OCCCN2N=C1	REAL250005028258	0	32	-1.0	-52.61	279.98	-1.29	-53.90
CC1=CC(C#N)=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028259	0	30	-1.0	-43.41	277.39	0.90	-42.51
CC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005028260	0	34	-1.0	-46.11	304.53	3.44	-42.67
CC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005028261	0	30	-1.0	-54.85	270.06	0.22	-54.63
COC1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005028262	0	37	-1.0	-47.81	301.53	0.80	-47.01
CNC(=O)NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028263	0	32	-1.0	-56.59	283.58	-3.79	-60.38
CCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005028264	0	29	-1.0	-44.20	265.69	-1.49	-45.69
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1Br	REAL250005028265	0	27	-1.0	-43.56	256.39	1.24	-42.32
CCOC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005028266	0	31	-1.0	-44.32	280.54	-3.24	-47.56
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=CN=CN2C1	REAL250005028267	0	34	-1.0	-47.54	287.79	2.39	-45.15
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2C1	REAL250005028268	0	34	-1.0	-45.89	290.26	3.27	-42.62
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CC2)=NO1	REAL250005028269	0	33	-1.0	-44.37	298.16	1.96	-42.41
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CN2C=CN=C12	REAL250005028270	0	29	-1.0	-56.14	267.13	0.53	-55.61
CC(C)(C)N1C=NC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005028271	0	35	-1.0	-50.95	303.66	1.81	-49.14
CCCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL250005028272	0	32	-1.0	-43.15	286.93	1.19	-41.96
NC1=NC(Cl)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028273	0	28	-1.0	-44.03	265.04	-0.69	-44.72
CCC1=CC=C(C#CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005028274	0	35	-1.0	-45.00	317.96	4.33	-40.67
N#CC1=CSC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028275	0	25	-1.0	-56.49	252.71	0.76	-55.73
CC(C)(C)C1=NNC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028276	0	36	-1.0	-47.38	294.57	0.38	-47.00
CC1=NC(C(C)C)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028277	0	38	-1.0	-45.91	314.74	2.24	-43.67
O=C(CCC1=NOC=C1)NCCC1=NC(=O)O[N-]1	REAL250005028278	0	29	-1.0	-47.08	264.29	0.31	-46.77
CC(O)(C(=O)NCCC1=NC(=O)O[N-]1)C1CCC1	REAL250005028279	0	34	-1.0	-43.12	280.98	-1.02	-44.14
CCN1N=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028280	0	29	-1.0	-43.86	260.19	-1.25	-45.11
CC1=NC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)N1	REAL250005028281	0	30	-1.0	-47.14	265.21	-0.47	-47.61
CN1C=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL250005028282	0	33	-1.0	-55.09	291.60	2.87	-52.22
COC1=CC(Cl)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005028283	0	31	-1.0	-45.20	289.51	1.35	-43.85
CCN1N=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005028284	0	32	-1.0	-43.98	284.29	-0.90	-44.88
O=CC1=CNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005028285	0	27	-1.0	-57.70	254.62	-0.90	-58.60
O=C(CC1=CN=CC(O)=C1)NCCC1=NC(=O)O[N-]1	REAL250005028286	0	30	-1.0	-49.26	273.81	-2.43	-51.69
CN1C=NN(CCC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL250005028287	0	33	-1.0	-54.42	297.56	1.19	-53.23
O=C(CN1N=NC2=C1CCCC2)NCCC1=NC(=O)O[N-]1	REAL250005028288	0	36	-1.0	-55.81	305.92	0.66	-55.15
NS(=O)(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005028289	0	29	-1.0	-45.00	270.74	-4.84	-49.84
CC1=NC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005028290	0	34	-1.0	-46.50	300.35	1.01	-45.49
O=C(CCN1C=NC=CC1=O)NCCC1=NC(=O)O[N-]1	REAL250005028291	0	32	-1.0	-52.43	288.12	1.01	-51.42
CC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL250005028292	0	29	-1.0	-54.68	278.34	1.08	-53.60
COC1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL250005028293	0	29	-1.0	-48.51	265.86	-1.69	-50.20
O=C(NCCC1=NC(=O)O[N-]1)C1CC2CCC1CC2	REAL250005028294	0	37	-1.0	-45.23	286.07	2.66	-42.57
COCN1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005028295	0	31	-1.0	-46.28	281.23	-2.01	-48.29
CC(OCC1=CC=NC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028296	0	36	-1.0	-51.75	316.27	1.59	-50.16
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CN1C(C)C	REAL250005028297	0	37	-1.0	-47.51	309.43	3.04	-44.47
CC1=CSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005028298	0	27	-1.0	-44.79	257.08	1.21	-43.58
O=C(CC1=CNC2=CN=CC=C12)NCCC1=NC(=O)O[N-]1	REAL250005028299	0	33	-1.0	-52.02	294.56	0.52	-51.50
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CCCCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005029232	0	36	-1.0	-45.84	303.07	2.77	-43.07
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CC(C)(C)C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005029323	0	35	-1.0	-41.09	304.61	0.16	-40.93
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NC(=O)C1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005029327	0	34	-1.0	-54.40	302.48	-1.01	-55.41
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CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC(F)(F)C1	REAL250005029334	0	33	-1.0	-43.57	280.84	1.76	-41.81
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CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC(C1)S2	REAL250005029341	0	38	-1.0	-48.46	286.05	2.85	-45.61
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CC1(OCC(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL250005029345	0	37	-1.0	-48.70	301.52	2.00	-46.70
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CC1(C)CC1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005029350	0	36	-1.0	-45.42	301.05	2.71	-42.71
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CC1(C)COCC(CC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005029352	0	38	-1.0	-49.98	310.36	0.50	-49.48
CC1(C)CC(C(=O)NCCC2=NC(=O)O[N-]2)CCO1	REAL250005029353	0	37	-1.0	-46.25	294.92	0.53	-45.72
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O=C(NCCC1=NC(=O)O[N-]1)[C@H]1C[C@@H](OC(F)F)C1	REAL250005029355	0	31	-1.0	-47.48	280.19	-0.16	-47.64
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CC(C)(C)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005029358	0	38	-1.0	-45.18	319.78	2.42	-42.76
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O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1C1CC1	REAL250005029360	0	37	-1.0	-45.63	299.02	3.13	-42.50
COC1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029361	0	34	-1.0	-49.08	283.17	0.28	-48.80
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CSC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL250005029553	0	33	-1.0	-44.68	286.98	1.75	-42.93
NC(=O)C1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005029554	0	29	-1.0	-43.00	272.35	-5.21	-48.21
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CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005029558	0	33	-1.0	-46.70	290.26	2.84	-43.86
O=C(CSCCC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL250005029559	0	30	-1.0	-47.11	292.08	1.74	-45.37
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NC1=NN2C=CC=CC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029561	0	32	-1.0	-50.34	290.20	0.10	-50.24
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CC(C)(OCC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029568	0	33	-1.0	-51.60	293.79	1.19	-50.41
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1C(F)(F)F	REAL250005029569	0	33	-1.0	-45.63	288.63	2.05	-43.58
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N=C1	REAL250005029570	0	35	-1.0	-46.29	306.47	2.20	-44.09
CCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL250005029571	0	36	-1.0	-52.18	312.80	0.79	-51.39
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCO1	REAL250005029572	0	35	-1.0	-44.43	295.54	-1.19	-45.62
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL250005029573	0	35	-1.0	-53.97	307.37	2.39	-51.58
CC1(C)C2CCC1(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL250005029574	0	40	-1.0	-45.19	302.87	2.75	-42.44
CCC1=CNC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029575	0	31	-1.0	-51.51	271.04	0.85	-50.66
COC1=CC(F)=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005029576	0	31	-1.0	-47.39	289.00	0.79	-46.60
CN1C=CC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005029577	0	36	-1.0	-54.77	304.82	1.31	-53.46
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C#N)C1	REAL250005029578	0	31	-1.0	-58.22	268.34	1.20	-57.02
CCC1=NN(C)C(CC)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029579	0	39	-1.0	-47.49	334.57	1.74	-45.75
O=C(CC1(O)CCOC1)NCCC1=NC(=O)O[N-]1	REAL250005029580	0	32	-1.0	-46.95	268.43	-3.01	-49.96
CN(C)C(=O)C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005029581	0	31	-1.0	-46.10	277.17	-0.71	-46.81
O=C(C=CC(=O)NC1CC1)NCCC1=NC(=O)O[N-]1	REAL250005029582	0	32	-1.0	-45.64	291.41	-0.91	-46.55
CC1=CN(C(C)C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL250005029583	0	33	-1.0	-50.43	288.53	0.81	-49.62
O=C(C=CC1=CC=C(F)N=C1)NCCC1=NC(=O)O[N-]1	REAL250005029584	0	30	-1.0	-47.39	279.14	0.92	-46.47
O=C(COC1=NOC=C1)NCCC1=NC(=O)O[N-]1	REAL250005029585	0	27	-1.0	-49.87	254.74	-1.78	-51.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC=NN2C=C1	REAL250005029587	0	29	-1.0	-50.25	265.33	1.95	-48.30
O=C(NCCC1=NC(=O)O[N-]1)C1(N2C=CN=N2)CC1	REAL250005029588	0	30	-1.0	-42.96	273.94	-0.30	-43.26
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(CC1)CC2	REAL250005029589	0	37	-1.0	-45.15	288.54	2.61	-42.54
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H]2C[C@@H]1CO2	REAL250005029590	0	35	-1.0	-46.68	277.34	0.24	-46.44
CN1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CN=C21	REAL250005029591	0	31	-1.0	-43.77	282.50	0.46	-43.31
O=C(CC1(CO)CCC1)NCCC1=NC(=O)O[N-]1	REAL250005029592	0	34	-1.0	-44.60	281.27	-1.60	-46.20
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CC(C)(C#N)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005030213	0	33	-1.0	-52.04	283.93	1.31	-50.73
[N-]=[N+]=NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030214	0	29	-1.0	-45.78	270.88	-0.75	-46.53
[N-]=[N+]=NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005030215	0	29	-1.0	-45.26	279.57	-2.98	-48.24
[N-]=[N+]=NCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005030216	0	37	-1.0	-46.32	324.05	-1.00	-47.32
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COC1CC(CCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030237	0	37	-1.0	-48.01	311.11	1.04	-46.97
CCCCC[C@@H](O)CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005030238	0	39	-1.0	-49.28	324.58	0.72	-48.56
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CC1CC(C)(C(=O)NCCC2=NC(=O)O[N-]2)CC(C)O1	REAL250005030247	0	40	-1.0	-46.20	315.36	1.33	-44.87
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CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL250005030253	0	30	-1.0	-45.01	272.96	2.00	-43.01
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COC(=O)[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL250005030257	0	36	-1.0	-52.23	305.01	1.75	-50.48
CCC1=NOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030258	0	31	-1.0	-53.77	273.98	0.75	-53.02
CC1=NOC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL250005030259	0	35	-1.0	-46.86	300.52	0.72	-46.14
CCCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C	REAL250005030260	0	36	-1.0	-47.71	311.80	1.33	-46.38
CCCC1=NN(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030261	0	36	-1.0	-44.14	308.47	1.40	-42.74
CC(C)CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL250005030263	0	35	-1.0	-43.20	304.31	1.68	-41.52
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CC(C)(CCC#N)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030270	0	33	-1.0	-52.64	281.43	1.47	-51.17
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CC(C)(C)C1=CC=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030272	0	38	-1.0	-44.65	301.05	1.89	-42.76
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CC(CC1=CC=NC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030289	0	35	-1.0	-45.56	299.66	1.75	-43.81
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CC(C)CCCOCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005030291	0	39	-1.0	-48.55	324.55	2.43	-46.12
CC1=CC=CC(C(O)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030292	0	34	-1.0	-45.68	297.45	0.94	-44.74
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CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL250005030294	0	31	-1.0	-52.08	272.28	1.60	-50.48
N#CC1=CNC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL250005030295	0	32	-1.0	-58.69	295.86	2.03	-56.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(C2=CC=CC=C2)=C1	REAL250005030296	0	35	-1.0	-52.30	308.08	2.95	-49.35
CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005030297	0	33	-1.0	-50.21	290.74	3.06	-47.15
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CC1CCCC(O)(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030299	0	40	-1.0	-45.17	306.82	0.12	-45.05
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CCOC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL250005030301	0	31	-1.0	-50.91	286.33	1.85	-49.06
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC=CC2=CC(F)=C1	REAL250005030302	0	31	-1.0	-44.51	278.82	1.80	-42.71
CCC1=NNC(CC)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005030303	0	39	-1.0	-49.91	325.99	1.12	-48.79
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250005030306	0	34	-1.0	-46.31	295.83	3.57	-42.74
CCC(=CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030307	0	37	-1.0	-45.64	308.01	3.92	-41.72
CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030308	0	31	-1.0	-42.58	284.40	0.09	-42.49
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=CC=C2)[N-]O1	REAL250005030309	0	32	-1.0	-43.77	294.88	0.61	-43.16
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2F)[N-]O1	REAL250005030310	0	28	-1.0	-46.30	261.33	-0.81	-47.11
CC1=CC=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030311	0	34	-1.0	-43.46	299.10	1.01	-42.45
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL250005030312	0	34	-1.0	-43.10	301.40	0.63	-42.47
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005030313	0	34	-1.0	-43.32	299.11	1.00	-42.32
COC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030314	0	32	-1.0	-42.68	283.59	-0.73	-43.41
CCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030315	0	34	-1.0	-42.43	305.86	0.87	-41.56
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2)[N-]O1	REAL250005030316	0	28	-1.0	-42.70	262.97	-0.57	-43.27
O=C1N=C(CCNS(=O)(=O)C2=CC=CS2)[N-]O1	REAL250005030317	0	25	-1.0	-42.98	254.91	-1.56	-44.54
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030318	0	32	-1.0	-42.47	292.46	-1.27	-43.74
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030319	0	31	-1.0	-42.70	284.38	0.11	-42.59
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C=C2)[N-]O1	REAL250005030320	0	28	-1.0	-41.25	269.38	-0.50	-41.75
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(F)=C2)[N-]O1	REAL250005030321	0	28	-1.0	-40.87	269.38	-0.50	-41.37
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030322	0	29	-1.0	-42.78	283.78	-0.18	-42.96
N#CC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030323	0	29	-1.0	-51.32	268.53	-0.79	-52.11
CC1=NOC(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030324	0	30	-1.0	-39.97	276.16	-1.60	-41.57
CC1=NNC(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030325	0	31	-1.0	-41.02	279.17	-2.74	-43.76
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC=C2)[N-]O1	REAL250005030326	0	31	-1.0	-44.09	286.73	0.16	-43.93
CCN(CC)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030327	0	32	-1.0	-40.96	276.19	-1.82	-42.78
N#CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030328	0	29	-1.0	-42.28	283.82	-0.18	-42.46
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL250005030329	0	28	-1.0	-43.30	276.79	-0.77	-44.07
O=C1N=C(CCNS(=O)(=O)N2CCCCCC2)[N-]O1	REAL250005030330	0	36	-1.0	-41.02	295.64	-0.50	-41.52
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC=C2)[N-]O1	REAL250005030331	0	31	-1.0	-44.09	286.73	0.16	-43.93
O=C1N=C(CCNS(=O)(=O)N2CCOCC2)[N-]O1	REAL250005030332	0	31	-1.0	-41.14	271.24	-3.86	-45.00
O=C1N=C(CCNS(=O)(=O)N2CCCC2)[N-]O1	REAL250005030333	0	30	-1.0	-41.72	266.46	-2.22	-43.94
O=C1N=C(CCNS(=O)(=O)N2CCCCC2)[N-]O1	REAL250005030334	0	33	-1.0	-40.93	279.23	-1.47	-42.40
CC1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030335	0	36	-1.0	-40.99	300.05	-0.89	-41.88
CC1CCCCN1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030336	0	36	-1.0	-40.97	293.37	-0.49	-41.46
CN(CCC#N)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030337	0	30	-1.0	-43.99	282.37	-1.95	-45.94
CCCCN(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030338	0	35	-1.0	-40.83	304.51	-0.91	-41.74
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005030339	0	28	-1.0	-43.17	267.52	-2.87	-46.04
O=C1N=C(CCNS(=O)(=O)CCC2=CC=CC=C2)[N-]O1	REAL250005030340	0	34	-1.0	-43.38	308.23	0.95	-42.43
CCCN(CCC)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030341	0	38	-1.0	-41.04	319.19	-0.31	-41.35
CC(C)N(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030342	0	32	-1.0	-40.80	277.66	-1.95	-42.75
O=C1N=C(CCNS(=O)(=O)C2=CC=CN=C2)[N-]O1	REAL250005030343	0	27	-1.0	-42.07	257.96	-2.35	-44.42
COCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030344	0	28	-1.0	-42.93	260.50	-3.80	-46.73
CC1=CC=CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030345	0	34	-1.0	-44.26	308.15	0.82	-43.44
CC1=CC=CC=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030346	0	34	-1.0	-43.88	302.41	0.74	-43.14
O=C1N=C(CCNS(=O)(=O)C2=CN=CC(F)=C2)[N-]O1	REAL250005030347	0	27	-1.0	-41.60	264.38	-2.29	-43.89
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005030348	0	28	-1.0	-45.47	278.91	-2.06	-47.53
O=CC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030349	0	30	-1.0	-43.11	280.50	-0.69	-43.80
CN1C=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030350	0	28	-1.0	-51.35	266.99	-1.48	-52.83
CC1=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL250005030351	0	31	-1.0	-46.60	286.50	-1.69	-48.29
CCN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005030352	0	31	-1.0	-42.96	289.06	-2.01	-44.97
N#CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030353	0	28	-1.0	-48.68	269.17	-1.56	-50.24
O=C1N=C(CCNS(=O)(=O)C2CCCCC2)[N-]O1	REAL250005030354	0	34	-1.0	-42.05	287.40	-0.28	-42.33
O=C1N=C(CCNS(=O)(=O)CC2CCCCC2)[N-]O1	REAL250005030355	0	37	-1.0	-41.98	305.68	0.56	-41.42
CCOCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030356	0	31	-1.0	-42.92	282.35	-2.84	-45.76
N#CCCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030357	0	31	-1.0	-48.16	290.67	-0.78	-48.94
O=C1N=C(CCNS(=O)(=O)CC2CCCO2)[N-]O1	REAL250005030358	0	32	-1.0	-44.55	282.43	-2.23	-46.78
O=C1N=C(CCNS(=O)(=O)CC2CCCCO2)[N-]O1	REAL250005030359	0	35	-1.0	-45.27	300.91	-1.53	-46.80
CC(C)CCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030360	0	33	-1.0	-42.28	287.39	-0.79	-43.07
CC(C1CC1)N(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030361	0	36	-1.0	-40.82	303.80	-0.58	-41.40
COC(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030362	0	33	-1.0	-47.68	303.78	-1.27	-48.95
CCOC(=O)CCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030363	0	33	-1.0	-45.47	304.15	-1.11	-46.58
CC1=NNC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030364	0	28	-1.0	-43.89	264.99	-3.60	-47.49
CCCC(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030365	0	36	-1.0	-41.73	303.78	0.06	-41.67
CCC(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030366	0	33	-1.0	-41.77	282.28	-0.69	-42.46
O=C1N=C(CCNS(=O)(=O)C2CCOC2)[N-]O1	REAL250005030367	0	29	-1.0	-42.50	260.63	-3.45	-45.95
O=C1N=C(CCNS(=O)(=O)C2=CNC=N2)[N-]O1	REAL250005030368	0	25	-1.0	-45.97	244.28	-3.19	-49.16
COCCN(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030369	0	33	-1.0	-41.93	291.93	-3.26	-45.19
COCC(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030370	0	31	-1.0	-42.20	279.23	-2.93	-45.13
O=C1N=C(CCNS(=O)(=O)CC2CCOC2)[N-]O1	REAL250005030371	0	32	-1.0	-44.52	279.08	-2.64	-47.16
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL250005030372	0	28	-1.0	-43.08	269.57	-1.07	-44.15
O=C1N=C(CCNS(=O)(=O)CC2CCCOC2)[N-]O1	REAL250005030373	0	35	-1.0	-43.46	296.76	-1.82	-45.28
CS(=O)(=O)CCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030374	0	30	-1.0	-53.00	290.46	-5.31	-58.31
O=C1N=C(CCNS(=O)(=O)CCC2=CC=CC=C2)[N-]O1	REAL250005030375	0	34	-1.0	-43.38	308.23	0.95	-42.43
CN(C1CC1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030376	0	30	-1.0	-41.25	268.29	-1.93	-43.18
CN(CC1CC1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030377	0	33	-1.0	-41.23	294.03	-0.92	-42.15
O=C1N=C(CCNS(=O)(=O)CC2=NOC=C2)[N-]O1	REAL250005030378	0	27	-1.0	-49.24	261.72	-2.57	-51.81
CC(C)(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030379	0	33	-1.0	-41.58	278.22	-0.65	-42.23
O=C1N=C(CCNS(=O)(=O)N2CC3CCC2C3)[N-]O1	REAL250005030380	0	34	-1.0	-42.17	290.40	-1.03	-43.20
CC(C)OCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030381	0	34	-1.0	-42.97	302.62	-2.09	-45.06
O=C1N=C(CCNS(=O)(=O)CC2CCOCC2)[N-]O1	REAL250005030382	0	35	-1.0	-43.14	296.85	-1.85	-44.99
CC1=NOC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030383	0	30	-1.0	-45.13	283.67	-1.69	-46.82
COCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030384	0	31	-1.0	-43.78	281.99	-3.01	-46.79
CCC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030385	0	34	-1.0	-42.35	305.87	0.86	-41.49
CC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030386	0	31	-1.0	-43.24	277.71	0.32	-42.92
CC(C)(C)CCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030387	0	36	-1.0	-42.10	303.55	-0.38	-42.48
O=C1N=C(CCNS(=O)(=O)CCCF)[N-]O1	REAL250005030388	0	27	-1.0	-43.71	254.91	-1.94	-45.65
CCN(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030389	0	29	-1.0	-40.96	261.52	-2.44	-43.40
CC1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL250005030390	0	27	-1.0	-42.18	271.50	-2.74	-44.92
COC(=O)C(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030391	0	33	-1.0	-44.05	297.77	-1.32	-45.37
O=C1N=C(CCNS(=O)(=O)CC2CCCC2)[N-]O1	REAL250005030392	0	34	-1.0	-42.00	289.95	-0.14	-42.14
COCCOCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030393	0	35	-1.0	-44.76	315.98	-3.57	-48.33
O=C1N=C(CCNS(=O)(=O)CCC2CCCO2)[N-]O1	REAL250005030394	0	35	-1.0	-45.19	304.74	-1.76	-46.95
O=C1N=C(CCNS(=O)(=O)CCC2CC2)[N-]O1	REAL250005030395	0	31	-1.0	-42.42	279.94	-0.52	-42.94
O=C1N=C(CCNS(=O)(=O)CBr)[N-]O1	REAL250005030396	0	21	-1.0	-41.42	227.15	-2.95	-44.37
O=C1N=C(CCNS(=O)(=O)CC2CCC2)[N-]O1	REAL250005030397	0	31	-1.0	-42.23	275.07	-0.78	-43.01
CCC(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030398	0	33	-1.0	-41.77	282.28	-0.69	-42.46
CN(C1CCCC1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030399	0	36	-1.0	-40.47	301.66	-0.79	-41.26
CCCN(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030400	0	32	-1.0	-40.78	283.02	-1.69	-42.47
COCCC(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030401	0	34	-1.0	-42.19	296.95	-2.17	-44.36
N#CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030402	0	29	-1.0	-48.34	275.39	-1.16	-49.50
CC(C)(C#N)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030403	0	31	-1.0	-42.70	277.50	-1.07	-43.77
CC(C)CN(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030404	0	35	-1.0	-40.72	302.80	-0.96	-41.68
CC1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030405	0	33	-1.0	-41.19	287.54	-1.64	-42.83
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005030406	0	31	-1.0	-44.63	287.75	-1.05	-45.68
CC(C)NS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030407	0	29	-1.0	-41.68	259.88	-3.65	-45.33
CCCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030408	0	33	-1.0	-42.24	291.32	-0.52	-42.76
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005030409	0	28	-1.0	-45.05	267.57	-1.75	-46.80
CCN(CC1CC1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030410	0	36	-1.0	-40.68	300.39	0.44	-40.24
NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030411	0	30	-1.0	-43.84	278.05	-2.69	-46.53
CN1N=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030412	0	28	-1.0	-42.77	257.08	-3.16	-45.93
N#CC1=NC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030413	0	28	-1.0	-53.39	263.49	-2.61	-56.00
CC(=O)OCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030414	0	33	-1.0	-47.06	305.35	-1.10	-48.16
CN(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005030415	0	32	-1.0	-46.61	285.99	2.88	-43.73
O=C1N=C(CCNS(=O)(=O)C2=CC=CO2)[N-]O1	REAL250005030416	0	25	-1.0	-44.67	245.66	-2.58	-47.25
CN1N=NC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030417	0	27	-1.0	-41.63	256.39	-4.12	-45.75
CCC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030418	0	34	-1.0	-43.31	294.26	1.24	-42.07
O=C1N=C(CCNS(=O)(=O)C2=CN=C3CCCN23)[N-]O1	REAL250005030419	0	32	-1.0	-43.77	290.96	-1.14	-44.91
NC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030420	0	30	-1.0	-43.42	278.05	-2.69	-46.11
COCC(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030421	0	34	-1.0	-42.86	296.99	-2.24	-45.10
O=C1N=C(CCNS(=O)(=O)C2=CC=CN=C2)[N-]O1	REAL250005030422	0	27	-1.0	-42.07	257.96	-2.35	-44.42
CN(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030423	0	35	-1.0	-48.60	300.59	3.31	-45.29
O=C1N=C(CCNS(=O)(=O)CCCCCl)[N-]O1	REAL250005030424	0	30	-1.0	-43.30	286.97	-0.67	-43.97
N#CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL250005030425	0	32	-1.0	-50.37	291.41	-0.71	-51.08
CC(C#N)CN(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030426	0	33	-1.0	-44.95	302.12	-1.30	-46.25
CCN(CCC#N)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030427	0	33	-1.0	-47.88	297.04	-1.34	-49.22
CC(CC#N)N(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030428	0	33	-1.0	-49.49	297.95	-1.39	-50.88
CCCCCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030429	0	39	-1.0	-42.24	334.32	1.04	-41.20
CCC(C)(C)N(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030431	0	37	-1.0	-46.27	285.15	1.61	-44.66
COC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030432	0	32	-1.0	-43.03	292.48	-1.27	-44.30
CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL250005030433	0	34	-1.0	-41.78	288.33	-0.22	-42.00
O=C1N=C(CCNS(=O)(=O)C2CS(=O)(=O)C2)[N-]O1	REAL250005030434	0	28	-1.0	-47.98	268.18	-5.68	-53.66
CC(C)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030435	0	36	-1.0	-42.28	308.89	-0.01	-42.29
O=C1N=C(CCNS(=O)(=O)CCC(F)(F)F)[N-]O1	REAL250005030436	0	27	-1.0	-42.85	266.45	-1.69	-44.54
O=C(NCCC1=NC(=O)O[N-]1)OCC(F)(F)F	REAL250005030437	0	24	-1.0	-40.27	239.90	-0.80	-41.07
O=C(NCCC1=NC(=O)O[N-]1)N1CCS(=O)(=O)CC1	REAL250005030438	0	32	-1.0	-51.93	279.95	-2.52	-54.45
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005030439	0	30	-1.0	-45.19	279.57	-1.74	-46.93
C#CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030440	0	29	-1.0	-44.24	275.60	-0.78	-45.02
COC(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030441	0	31	-1.0	-44.71	279.61	-2.84	-47.55
CCCC(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030442	0	33	-1.0	-41.71	284.77	-0.47	-42.18
CC(C(=O)N(C)C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030443	0	34	-1.0	-44.68	299.32	-1.91	-46.59
COC1CN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030444	0	31	-1.0	-42.55	283.84	-4.12	-46.67
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N(C)N=C1	REAL250005030445	0	31	-1.0	-41.71	279.86	-2.11	-43.82
O=C(NCCC1=NC(=O)O[N-]1)N1CCSCC1	REAL250005030446	0	30	-1.0	-45.31	261.13	1.20	-44.11
CCOCC(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030448	0	37	-1.0	-42.83	318.85	-1.27	-44.10
N#CCC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030449	0	32	-1.0	-48.51	296.47	-0.32	-48.83
O=C1N=C(CCNS(=O)(=O)CCC2CCC2)[N-]O1	REAL250005030450	0	34	-1.0	-42.41	296.55	-0.00	-42.41
O=C1N=C(CCNS(=O)(=O)CCCCF)[N-]O1	REAL250005030451	0	30	-1.0	-43.49	276.41	-1.16	-44.65
O=C1N=C(CCNS(=O)(=O)C2=CSC=C2)[N-]O1	REAL250005030452	0	25	-1.0	-41.93	254.09	-1.67	-43.60
O=C1N=C(CCNS(=O)(=O)C2=COC=C2)[N-]O1	REAL250005030453	0	25	-1.0	-42.47	245.51	-2.68	-45.15
CC1CCN(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030454	0	35	-1.0	-46.19	281.81	1.98	-44.21
CC1CCCN(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030455	0	35	-1.0	-46.37	281.76	1.95	-44.42
O=C1N=C(CCNS(=O)(=O)CBr)[N-]O1	REAL250005030456	0	21	-1.0	-41.42	227.15	-2.95	-44.37
O=C(NCCC1=NC(=O)O[N-]1)OCC1CCCO1	REAL250005030457	0	32	-1.0	-44.01	277.40	-0.81	-44.82
CN(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCC1	REAL250005030458	0	35	-1.0	-46.80	281.00	1.97	-44.83
CN(C(=O)NCCC1=NC(=O)O[N-]1)C1CCOCC1	REAL250005030459	0	36	-1.0	-46.38	290.12	0.28	-46.10
O=C(NCCC1=NC(=O)O[N-]1)OC1CCOCC1	REAL250005030460	0	32	-1.0	-42.40	273.12	-1.02	-43.42
CN(CC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030461	0	28	-1.0	-47.37	257.19	0.60	-46.77
CC(C)(C)OCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030463	0	37	-1.0	-42.87	316.65	-1.70	-44.57
O=C1N=C(CCNS(=O)(=O)CCC2CCCC2)[N-]O1	REAL250005030464	0	37	-1.0	-42.37	312.52	0.53	-41.84
CC1=CSC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030465	0	28	-1.0	-42.67	276.55	-0.91	-43.58
CC(C)(CCl)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030466	0	33	-1.0	-41.98	290.94	-0.21	-42.19
O=C1N=C(CCNS(=O)(=O)C2=CNN=C2Cl)[N-]O1	REAL250005030467	0	25	-1.0	-47.16	252.91	-4.14	-51.30
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=N2)[N-]O1	REAL250005030468	0	27	-1.0	-44.05	258.81	-2.46	-46.51
O=C1N=C(CCNS(=O)(=O)CC2CC(F)(F)C2)[N-]O1	REAL250005030469	0	31	-1.0	-43.78	288.31	-0.61	-44.39
CC1=NSC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030470	0	27	-1.0	-44.18	271.47	-2.28	-46.46
CC(C)(CC#N)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030471	0	34	-1.0	-47.16	295.25	-0.46	-47.62
CO[C@H]1COC[C@H]1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030472	0	33	-1.0	-45.65	283.23	-3.92	-49.57
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=CS2)[N-]O1	REAL250005030473	0	25	-1.0	-43.75	257.10	-1.66	-45.41
CS(C)(=O)=NS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030474	0	28	-1.0	-60.03	268.37	-4.64	-64.67
O=C(NCCC1=NC(=O)O[N-]1)OCC1CCCCC1	REAL250005030475	0	37	-1.0	-41.60	303.54	2.12	-39.48
O=C1N=C(CCNS(=O)(=O)CCC2CCOC2)[N-]O1	REAL250005030476	0	35	-1.0	-43.63	302.28	-2.06	-45.69
CC(F)(F)CCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030477	0	30	-1.0	-44.13	280.94	-1.17	-45.30
O=C(NCCC1=NC(=O)O[N-]1)OCC1=CC=C(Cl)C=C1	REAL250005030478	0	31	-1.0	-41.69	296.95	2.33	-39.36
O=C1N=C(CCNS(=O)(=O)C2=CNC(=O)S2)[N-]O1	REAL250005030479	0	25	-1.0	-48.76	259.71	-4.68	-53.44
CC(C)C1(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030480	0	34	-1.0	-41.06	285.69	0.19	-40.87
O=C1N=C(CCNS(=O)(=O)C2CC3CCC2O3)[N-]O1	REAL250005030481	0	33	-1.0	-43.85	284.59	-2.28	-46.13
CO[C@@H]1CCC[C@@H]1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030482	0	35	-1.0	-44.53	300.34	-0.88	-45.41
O=C1N=C(CCNS(=O)(=O)C2=NC=CN2)[N-]O1	REAL250005030483	1	25	-1.0	-49.07	244.61	-4.01	-53.08
CCCNS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030484	0	29	-1.0	-41.53	263.69	-3.57	-45.10
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=NN1C	REAL250005030485	0	31	-1.0	-47.59	283.78	-2.35	-49.94
C=CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030486	0	32	-1.0	-42.86	294.06	0.52	-42.34
CC(C)(C)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030487	0	39	-1.0	-42.21	325.05	0.39	-41.82
C=CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030488	0	31	-1.0	-42.67	282.63	-0.74	-43.41
COCC1(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030489	0	32	-1.0	-43.11	280.51	-1.29	-44.40
N#CC1=CN=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030490	0	28	-1.0	-42.62	278.83	-1.98	-44.60
CC1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030491	0	34	-1.0	-44.19	308.14	0.83	-43.36
CC1=NN(C)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030492	0	31	-1.0	-44.84	286.40	-2.24	-47.08
CC(C)CC(C)OC(=O)NCCC1=NC(=O)O[N-]1	REAL250005030493	0	36	-1.0	-42.67	300.02	1.51	-41.16
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030494	0	31	-1.0	-42.70	284.38	0.11	-42.59
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030495	0	29	-1.0	-42.78	283.78	-0.18	-42.96
CN1C=NN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030496	0	27	-1.0	-43.74	256.66	-1.42	-45.16
O=C1N=C(CCNS(=O)(=O)CCCCl)[N-]O1	REAL250005030497	0	27	-1.0	-43.42	265.47	-1.45	-44.87
NC1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005030498	0	28	-1.0	-43.74	268.19	-3.23	-46.97
O=C1N=C(CCNS(=O)(=O)C2=CN=CS2)[N-]O1	REAL250005030499	0	24	-1.0	-41.99	249.56	-3.45	-45.44
N#CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030500	0	29	-1.0	-42.28	283.82	-0.18	-42.46
CCC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)OC	REAL250005030501	0	34	-1.0	-42.36	297.10	-1.89	-44.25
O=C1N=C(CCNS(=O)(=O)CCOCC2CC2)[N-]O1	REAL250005030502	0	35	-1.0	-43.10	314.02	-1.25	-44.35
CN(C)C1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030503	0	36	-1.0	-43.18	306.81	-1.80	-44.98
O=C1N=C(CCNS(=O)(=O)C2=CSC=N2)[N-]O1	REAL250005030504	0	24	-1.0	-42.69	249.28	-3.70	-46.39
COC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL250005030505	0	35	-1.0	-42.70	306.41	-1.21	-43.91
CN1C=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005030506	0	28	-1.0	-49.08	267.82	-3.04	-52.12
CC1=NOC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030507	0	27	-1.0	-42.66	251.09	-2.94	-45.60
O=C(NCCC1=NC(=O)O[N-]1)NC1CCCCC1	REAL250005030508	0	35	-1.0	-46.58	286.21	0.62	-45.96
CC1CCCCN1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030509	0	35	-1.0	-45.58	275.52	1.98	-43.60
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C=C2)[N-]O1	REAL250005030510	0	28	-1.0	-41.25	269.38	-0.50	-41.75
O=C1N=C(CCNS(=O)(=O)C2=CC=CN=C2F)[N-]O1	REAL250005030511	0	27	-1.0	-49.69	256.34	-2.72	-52.41
CC(C)OC(=O)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030512	0	33	-1.0	-46.66	302.72	-1.22	-47.88
O=C1N=C(CCNS(=O)(=O)N2CCCOCC2)[N-]O1	REAL250005030513	0	34	-1.0	-41.50	288.93	-2.95	-44.45
COC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL250005030514	0	37	-1.0	-44.22	313.49	-1.65	-45.87
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(F)=C2)[N-]O1	REAL250005030515	0	28	-1.0	-40.87	269.38	-0.50	-41.37
CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1(F)F	REAL250005030516	0	31	-1.0	-43.49	285.37	-0.60	-44.09
O=C1N=C(CCNS(=O)(=O)CCN2C=CN=C2)[N-]O1	REAL250005030517	0	31	-1.0	-46.58	288.71	-0.28	-46.86
CCC1(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030518	0	31	-1.0	-41.58	263.99	-0.78	-42.36
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2O)[N-]O1	REAL250005030519	1	29	-1.0	-43.72	272.85	-2.93	-46.65
O=C1N=C(CCNS(=O)(=O)CC2CCC2(F)F)[N-]O1	REAL250005030520	0	31	-1.0	-44.59	286.56	-0.65	-45.24
CC1(C)CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL250005030521	0	35	-1.0	-42.31	302.66	-1.95	-44.26
CC1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N1C	REAL250005030522	0	31	-1.0	-47.46	282.94	-1.71	-49.17
O=C1N=C(CCNS(=O)(=O)C2CCC(=O)CC2)[N-]O1	REAL250005030523	0	33	-1.0	-44.46	291.12	-1.08	-45.54
O=C1N=C(CCNS(=O)(=O)CC2(F)CC2)[N-]O1	REAL250005030524	0	28	-1.0	-45.91	263.74	-1.26	-47.17
COCC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)OC	REAL250005030525	0	35	-1.0	-43.78	309.81	-3.09	-46.87
CC1=CC=C(N)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030526	0	33	-1.0	-44.12	292.73	-1.79	-45.91
COCC(COC)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030527	0	35	-1.0	-43.06	308.79	-3.21	-46.27
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL250005030528	0	29	-1.0	-51.52	275.50	-2.94	-54.46
O=C1N=C(CCNS(=O)(=O)[C@@H]2COC[C@H]2O)[N-]O1	REAL250005030529	0	30	-1.0	-44.02	264.20	-7.13	-51.15
C[C@@H]1CN(C(=O)NCCC2=NC(=O)O[N-]2)C[C@H](C)O1	REAL250005030530	0	36	-1.0	-45.53	294.47	0.43	-45.10
CCCOCCOC(=O)NCCC1=NC(=O)O[N-]1	REAL250005030531	0	34	-1.0	-43.47	297.30	-0.27	-43.74
O=C(NCCC1=NC(=O)O[N-]1)OCC1=CC=CC(Cl)=C1	REAL250005030532	0	31	-1.0	-42.41	296.95	2.31	-40.10
O=C(NCCC1=NC(=O)O[N-]1)OCCC1=CC=CC=C1	REAL250005030533	0	34	-1.0	-43.10	301.72	2.57	-40.53
CC1=CC=CC=C1COC(=O)NCCC1=NC(=O)O[N-]1	REAL250005030534	0	34	-1.0	-42.64	296.36	2.41	-40.23
COC1=CC=CC(COC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030535	0	35	-1.0	-44.30	309.73	1.11	-43.19
O=C1N=C(CCNS(=O)(=O)CCN2C=CC=N2)[N-]O1	REAL250005030536	0	31	-1.0	-47.62	289.23	-1.87	-49.49
O=C(NCCC1=NC(=O)O[N-]1)OCCC(F)(F)F	REAL250005030537	0	27	-1.0	-42.73	259.94	-0.06	-42.79
O=C1N=C(CCNS(=O)(=O)C(Cl)Cl)[N-]O1	REAL250005030538	0	21	-1.0	-40.96	231.96	-2.69	-43.65
O=C(NCCC1=NC(=O)O[N-]1)OC1CCCCC1	REAL250005030539	0	34	-1.0	-42.61	282.18	1.39	-41.22
CCC(C)(C)CCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030540	0	39	-1.0	-42.11	317.78	0.13	-41.98
CC1=CON=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030541	0	30	-1.0	-48.78	282.57	-1.92	-50.70
O=C(NCCC1=NC(=O)O[N-]1)N1CCC=C(Cl)C1	REAL250005030542	0	30	-1.0	-44.47	269.71	1.76	-42.71
CC(C)C(C)(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030543	0	39	-1.0	-41.42	306.00	0.19	-41.23
CC(C)NS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030544	0	29	-1.0	-41.68	259.88	-3.65	-45.33
O=C1N=C(CCNS(=O)(=O)CCCC2CC2)[N-]O1	REAL250005030545	0	34	-1.0	-42.42	301.44	0.27	-42.15
O=C1N=C(CCNS(=O)(=O)C2=CC=NS2)[N-]O1	REAL250005030546	0	24	-1.0	-44.25	249.71	-2.87	-47.12
O=C1N=C(CCNS(=O)(=O)CCN2C=NN=N2)[N-]O1	REAL250005030547	0	29	-1.0	-52.34	277.76	-2.69	-55.03
O=C1N=C(CCNS(=O)(=O)CC2=CC=NO2)[N-]O1	REAL250005030548	0	27	-1.0	-44.86	261.70	-2.29	-47.15
CC(F)(F)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030549	0	33	-1.0	-45.32	302.44	-0.39	-45.71
CC1=NC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL250005030550	0	29	-1.0	-48.68	278.31	-4.40	-53.08
CN1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030551	0	35	-1.0	-41.13	297.29	-3.87	-45.00
O=CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030552	0	30	-1.0	-48.32	286.20	-0.84	-49.16
CC1=CN=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030553	0	30	-1.0	-44.54	279.42	-1.71	-46.25
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL250005030554	0	27	-1.0	-44.93	261.77	-4.25	-49.18
COCCC1(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030555	0	35	-1.0	-42.29	297.56	-1.72	-44.01
O=C(NCCC1=NC(=O)O[N-]1)N1CCC(F)(F)CC1	REAL250005030556	0	32	-1.0	-45.46	272.27	1.47	-43.99
O=C(NCCC1=NC(=O)O[N-]1)OCC1=CC=C(F)C=C1	REAL250005030557	0	31	-1.0	-42.06	286.63	1.88	-40.18
CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030558	0	31	-1.0	-42.22	272.94	-0.76	-42.98
CC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL250005030559	0	34	-1.0	-41.52	293.72	0.11	-41.41
COCC1(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL250005030560	0	35	-1.0	-43.25	297.61	-1.09	-44.34
CC1CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030561	0	34	-1.0	-42.19	296.05	-0.14	-42.33
CC(C)(CF)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030562	0	33	-1.0	-42.39	283.22	-0.57	-42.96
O=C1N=C(CCNS(=O)(=O)CC2CC23CC3)[N-]O1	REAL250005030563	0	32	-1.0	-42.86	290.90	0.18	-42.68
CCC1=CN=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030564	0	33	-1.0	-44.06	300.91	-0.95	-45.01
CCOCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030565	0	34	-1.0	-43.80	303.85	-2.04	-45.84
O=C1N=C(CCNS(=O)(=O)C2=CN=CC=N2)[N-]O1	REAL250005030566	0	26	-1.0	-45.94	253.59	-4.33	-50.27
O=C1N=C(CCNS(=O)(=O)C2CC3CCCC32)[N-]O1	REAL250005030567	0	35	-1.0	-41.56	293.04	0.20	-41.36
CC1=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL250005030569	0	27	-1.0	-42.79	271.23	-2.98	-45.77
CC1=CSC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005030570	0	27	-1.0	-42.53	271.47	-3.02	-45.55
N#CC1=CC=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030571	0	28	-1.0	-46.31	279.69	-2.07	-48.38
CCN1N=NC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030572	0	30	-1.0	-44.43	278.89	-3.31	-47.74
CN1N=NN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030573	0	26	-1.0	-49.03	252.35	-4.52	-53.55
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL250005030574	0	28	-1.0	-46.66	279.68	-2.08	-48.74
C=CCC1(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030575	0	32	-1.0	-41.18	288.21	0.01	-41.17
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN=C1N	REAL250005030576	0	32	-1.0	-43.27	291.00	-2.86	-46.13
CCOC(C)(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030577	0	37	-1.0	-43.23	309.56	-1.40	-44.63
O=C1N=C(CCNS(=O)(=O)C2(Cl)CC2)[N-]O1	REAL250005030578	0	25	-1.0	-40.75	252.57	-1.39	-42.14
O=C(NCCC1=NC(=O)O[N-]1)N1C[C@@H]2CCC[C@@H]2C1	REAL250005030579	0	36	-1.0	-46.25	288.46	2.11	-44.14
C[C@@H]1C[C@@]1(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030580	0	31	-1.0	-41.69	272.54	-0.67	-42.36
O=C1N=C(CCNS(=O)(=O)CC2COCCO2)[N-]O1	REAL250005030581	0	33	-1.0	-44.89	291.36	-3.19	-48.08
CC(C)(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C(F)F	REAL250005030582	0	33	-1.0	-41.09	288.20	-0.50	-41.59
O=C1N=C(CCNS(=O)(=O)C[C@@H]2C[C@H]2C(F)F)[N-]O1	REAL250005030583	0	31	-1.0	-46.45	291.13	-0.40	-46.85
O=C1N=C(CCNS(=O)(=O)CC2CC3(CC3)C2)[N-]O1	REAL250005030584	0	35	-1.0	-42.42	307.40	0.62	-41.80
O=C1N=C(CCNS(=O)(=O)C2C3CCCCC32)[N-]O1	REAL250005030585	0	35	-1.0	-41.78	278.45	0.36	-41.42
CC1CCC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030586	0	34	-1.0	-41.93	290.53	-0.23	-42.16
O=C1N=C(CCNS(=O)(=O)CC2CCC(F)C2)[N-]O1	REAL250005030587	0	34	-1.0	-42.50	296.89	-0.03	-42.53
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=CC=C2)[N-]O1	REAL250005030588	0	32	-1.0	-43.77	294.88	0.61	-43.16
O=C1N=C(CCNS(=O)(=O)C2=NC=CN2)[N-]O1	REAL250005030589	1	25	-1.0	-49.07	244.61	-4.01	-53.08
CCN1N=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005030590	0	30	-1.0	-45.70	283.69	-3.70	-49.40
O=C1N=C(CCNS(=O)(=O)CC2CC(F)C2)[N-]O1	REAL250005030591	0	31	-1.0	-42.80	281.70	-0.69	-43.49
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030592	0	33	-1.0	-44.17	291.30	-3.64	-47.81
CC(OC(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL250005030593	0	27	-1.0	-40.09	258.55	-0.17	-40.26
O=C(NCCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1	REAL250005030594	0	33	-1.0	-46.63	285.98	2.55	-44.08
O=C(NCCC1=NC(=O)O[N-]1)N1C[C@@H]2CC[C@@H]2C1	REAL250005030595	0	33	-1.0	-46.46	271.58	1.56	-44.90
CC1(C)CCCN(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030596	0	38	-1.0	-46.47	297.23	2.68	-43.79
CC(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030597	0	35	-1.0	-47.65	314.52	-0.60	-48.25
O=C1N=C(CCNS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)[N-]O1	REAL250005030598	0	34	-1.0	-41.41	291.13	-1.16	-42.57
CC1=CC=CC(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030599	0	34	-1.0	-41.38	289.66	0.95	-40.43
O=C1N=C(CCNS(=O)(=O)CCCCC2CC2)[N-]O1	REAL250005030600	0	37	-1.0	-42.54	322.94	1.05	-41.49
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N=CN1	REAL250005030601	0	28	-1.0	-50.66	261.03	-2.46	-53.12
CC1=NN(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030602	0	31	-1.0	-42.93	285.15	-2.36	-45.29
CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL250005030603	0	34	-1.0	-43.59	295.53	0.76	-42.83
COC[C@]1(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C[C@@H]1C	REAL250005030604	0	35	-1.0	-42.50	306.22	-1.27	-43.77
CN(C1CCC1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030605	0	33	-1.0	-40.77	281.15	-1.54	-42.31
N#CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL250005030606	0	28	-1.0	-41.87	279.13	-2.05	-43.92
CC1CCCC1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030607	0	34	-1.0	-41.90	290.65	-0.23	-42.13
O=C1N=C(CCNS(=O)(=O)C2(C(F)F)CC2)[N-]O1	REAL250005030608	0	28	-1.0	-41.14	264.32	-1.11	-42.25
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)N=N2)[N-]O1	REAL250005030609	0	26	-1.0	-41.66	260.29	-3.60	-45.26
C[C@@H]1CCC[C@H]1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030610	0	37	-1.0	-41.97	310.29	0.50	-41.47
C#CCOCCOC(=O)NCCC1=NC(=O)O[N-]1	REAL250005030611	0	30	-1.0	-45.96	281.58	-0.54	-46.50
CC(CC(F)F)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030612	0	33	-1.0	-44.38	292.82	-0.47	-44.85
COC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)OC	REAL250005030613	0	32	-1.0	-47.13	283.74	-3.21	-50.34
CC1CC(C)(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030614	0	37	-1.0	-41.65	309.44	0.42	-41.23
CN(C(C)(C)C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030615	0	35	-1.0	-40.90	289.13	-1.07	-41.97
CCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005030616	0	31	-1.0	-44.88	289.06	-0.97	-45.85
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=CO2)[N-]O1	REAL250005030617	0	29	-1.0	-45.76	278.77	-1.17	-46.93
N#CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005030618	0	28	-1.0	-44.00	279.78	-2.17	-46.17
CCC(COC)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030619	0	34	-1.0	-41.93	290.49	-1.92	-43.85
O=C1N=C(CCNS(=O)(=O)C[C@@H]2C[C@H]2CF)[N-]O1	REAL250005030620	0	31	-1.0	-45.55	286.44	-0.49	-46.04
O=C1N=C(CCNS(=O)(=O)C2CC23CCC3)[N-]O1	REAL250005030621	0	32	-1.0	-42.47	284.83	-0.08	-42.55
O=C(N=S1(=O)CCCC1)NCCC1=NC(=O)O[N-]1	REAL250005030622	0	31	-1.0	-63.16	276.76	-1.49	-64.65
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=N1	REAL250005030623	0	33	-1.0	-42.67	301.37	-1.13	-43.80
O=C1N=C(CCNS(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[N-]O1	REAL250005030624	0	33	-1.0	-44.71	277.27	-2.63	-47.34
O=C1N=C(CCNS(=O)(=O)C2(CCl)CC2)[N-]O1	REAL250005030625	0	28	-1.0	-42.10	268.55	-0.50	-42.60
COC(=O)C1CCN(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030626	0	38	-1.0	-49.69	315.50	1.97	-47.72
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)O2)[N-]O1	REAL250005030627	0	25	-1.0	-44.20	262.71	-1.96	-46.16
O=C1N=C(CCNS(=O)(=O)N2CC3CC2C3)[N-]O1	REAL250005030628	0	31	-1.0	-42.13	274.74	-1.67	-43.80
COC(=O)[C@@H]1CCCN1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030629	0	35	-1.0	-53.72	300.27	1.34	-52.38
O=C1N=C(CCNS(=O)(=O)CC2=CSC=N2)[N-]O1	REAL250005030630	0	27	-1.0	-47.39	271.37	-2.87	-50.26
CC1CCC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005030631	0	35	-1.0	-44.67	303.67	-1.45	-46.12
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL250005030632	0	30	-1.0	-42.50	279.77	-1.75	-44.25
O=C1N=C(CCNS(=O)(=O)C2CC3(CC3)C2)[N-]O1	REAL250005030633	0	32	-1.0	-41.96	282.99	-0.16	-42.12
C=CCCCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030634	0	37	-1.0	-42.67	325.63	0.83	-41.84
COC1CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030635	0	35	-1.0	-43.09	308.52	-1.82	-44.91
CC1=COC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030636	0	28	-1.0	-44.58	267.55	-1.90	-46.48
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005030637	0	28	-1.0	-45.05	267.57	-1.75	-46.80
CCC1=NNC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030638	0	31	-1.0	-43.52	285.31	-2.85	-46.37
O=C1N=C(CCNS(=O)(=O)C2=NNC=N2)[N-]O1	REAL250005030639	1	24	-1.0	-48.68	239.78	-3.68	-52.36
O=C1N=C(CCNS(=O)(=O)C2CC(F)(F)C2)[N-]O1	REAL250005030640	0	28	-1.0	-42.20	263.51	-1.40	-43.60
O=C1N=C(CCNS(=O)(=O)CCCC(F)F)[N-]O1	REAL250005030641	0	30	-1.0	-45.34	282.48	-1.02	-46.36
CC1CCC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030642	0	37	-1.0	-41.92	310.44	0.49	-41.43
C[C@@H]1CCO[C@@H]1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030643	0	35	-1.0	-45.99	299.12	-2.06	-48.05
N#CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)OC=C1	REAL250005030644	0	26	-1.0	-44.48	264.82	-2.10	-46.58
N#C[C@@H]1C[C@H]1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030645	0	29	-1.0	-48.78	279.40	-0.87	-49.65
CC(=O)OC1CCN(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030646	0	35	-1.0	-51.72	302.54	1.33	-50.39
COC[C@@H](CS(=O)(=O)NCCC1=NC(=O)O[N-]1)OC	REAL250005030647	0	35	-1.0	-45.21	311.51	-3.61	-48.82
CC1(C)COCCN1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030648	0	36	-1.0	-45.51	285.09	0.20	-45.31
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)OC=C2)[N-]O1	REAL250005030649	0	25	-1.0	-42.95	253.24	-2.43	-45.38
N#CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=CO1	REAL250005030650	0	26	-1.0	-49.63	257.66	-2.66	-52.29
O=C1N=C(CCNS(=O)(=O)C2=NNN=C2)[N-]O1	REAL250005030651	0	24	-1.0	-44.69	238.81	-5.65	-50.34
CC1=CC=NC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030652	0	30	-1.0	-44.98	273.92	-1.59	-46.57
CC(C1=CC=CC=C1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030653	0	34	-1.0	-43.38	301.92	0.88	-42.50
O=C(NCCC1=NC(=O)O[N-]1)N1CCCCCC1	REAL250005030654	0	35	-1.0	-46.55	276.92	2.41	-44.14
CC1(C)CCN(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030655	0	38	-1.0	-45.82	295.23	2.24	-43.58
CN(CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005030656	0	38	-1.0	-48.66	323.00	4.09	-44.57
O=C(NCCC1=NC(=O)O[N-]1)N1CCOC(C2CC2)C1	REAL250005030657	0	37	-1.0	-45.87	302.73	1.41	-44.46
CC(=O)OC1CCCN(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030658	0	38	-1.0	-54.89	316.72	2.22	-52.67
O=C(NCCC1=NC(=O)O[N-]1)N1CC2CCC1C2	REAL250005030659	0	33	-1.0	-47.65	271.23	1.78	-45.87
O=C(NCCC1=NC(=O)O[N-]1)N1CCC(F)(F)C1	REAL250005030660	0	29	-1.0	-47.04	258.98	0.67	-46.37
O=C(NCCC1=NC(=O)O[N-]1)N1CCC[C@@H]2CCCC[C@@H]21	REAL250005030661	0	42	-1.0	-47.34	314.15	3.53	-43.81
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(O)=C2)[N-]O1	REAL250005030662	0	29	-1.0	-43.16	274.00	-3.42	-46.58
CC1=CN=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005030663	0	33	-1.0	-47.61	295.48	-0.98	-48.59
CC1=CN=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030664	0	30	-1.0	-43.13	273.41	-1.47	-44.60
O=C1N=C(CCNS(=O)(=O)C2=CSN=C2)[N-]O1	REAL250005030665	0	24	-1.0	-43.20	248.64	-2.98	-46.18
C=CCN(CC=C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030666	0	34	-1.0	-41.12	303.48	-0.67	-41.79
CC1=CC=CN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030667	0	30	-1.0	-43.06	269.47	-1.84	-44.90
CC1=CC=C(COC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005030668	0	34	-1.0	-42.73	301.63	2.49	-40.24
CC1=CC=C(O)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030669	0	32	-1.0	-43.29	286.35	-2.16	-45.45
O=C1N=C(CCNS(=O)(=O)N2CCC(F)(F)C2)[N-]O1	REAL250005030670	0	30	-1.0	-42.53	279.82	-2.10	-44.63
CN(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005030671	0	32	-1.0	-47.87	279.54	2.81	-45.06
CO[C@H]1CCN(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030672	0	33	-1.0	-47.20	280.63	-0.60	-47.80
O=C(NCCC1=NC(=O)O[N-]1)N1CCCC2=CC=CC=C21	REAL250005030673	0	36	-1.0	-48.66	294.15	3.78	-44.88
O=C(NCCC1=NC(=O)O[N-]1)N1CCC2=CC=CC=C2C1	REAL250005030674	0	36	-1.0	-46.43	299.60	3.48	-42.95
O=C(NCCC1=NC(=O)O[N-]1)N1C[C@@H]2CCCC[C@@H]2C1	REAL250005030675	0	39	-1.0	-46.14	307.21	2.75	-43.39
CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030676	0	28	-1.0	-41.67	262.31	-0.42	-42.09
O=C1N=C(CNS(=O)(=O)C=CC2=CC=CC=C2)[N-]O1	REAL250005030677	0	29	-1.0	-42.23	272.80	0.10	-42.13
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2F)[N-]O1	REAL250005030678	0	25	-1.0	-43.09	239.17	-1.34	-44.43
CC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030679	0	30	-1.0	-44.62	283.64	-0.59	-45.21
CC1=CC=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030680	0	31	-1.0	-41.09	277.02	0.49	-40.60
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005030681	0	31	-1.0	-41.64	279.32	0.12	-41.52
CC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030682	0	30	-1.0	-49.30	282.18	-0.68	-49.98
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005030683	0	31	-1.0	-41.07	277.05	0.47	-40.60
CC(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030684	0	34	-1.0	-40.89	301.13	0.85	-40.04
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)S2)[N-]O1	REAL250005030685	0	22	-1.0	-38.69	249.86	-1.46	-40.15
CCCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030686	0	34	-1.0	-40.98	305.29	1.14	-39.84
COC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030687	0	29	-1.0	-43.91	261.38	-1.26	-45.17
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2Cl)[N-]O1	REAL250005030688	0	25	-1.0	-42.43	242.57	-1.04	-43.47
O=C1N=C(CNS(=O)(=O)C2=CC=C3OCCC3=C2)[N-]O1	REAL250005030689	0	30	-1.0	-42.05	276.83	-1.24	-43.29
CCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030690	0	31	-1.0	-41.09	283.79	0.36	-40.73
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C=C2)[N-]O1	REAL250005030691	0	25	-1.0	-39.66	257.64	-0.57	-40.23
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2)[N-]O1	REAL250005030692	0	25	-1.0	-41.70	240.90	-1.08	-42.78
O=C1N=C(CNS(=O)(=O)C2=CC=CS2)[N-]O1	REAL250005030693	0	22	-1.0	-40.94	232.83	-2.09	-43.03
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030694	0	29	-1.0	-41.62	270.39	-1.78	-43.40
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030695	0	28	-1.0	-41.48	262.31	-0.41	-41.89
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030696	0	32	-1.0	-41.43	292.25	-0.86	-42.29
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C=C2F)[N-]O1	REAL250005030697	0	25	-1.0	-39.87	245.52	-1.27	-41.14
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C=C2)[N-]O1	REAL250005030698	0	25	-1.0	-39.80	247.32	-1.01	-40.81
O=C1N=C(CNS(=O)(=O)C2=CC=CC(F)=C2)[N-]O1	REAL250005030699	0	25	-1.0	-41.61	247.30	-1.02	-42.63
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005030700	0	34	-1.0	-40.06	284.99	0.93	-39.13
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(F)=C2)[N-]O1	REAL250005030701	0	25	-1.0	-39.66	253.62	-0.96	-40.62
O=C1N=C(CNS(=O)(=O)C2=C(F)C=CC=C2F)[N-]O1	REAL250005030702	1	25	-1.0	-45.14	249.40	-0.80	-45.94
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)N=C2)[N-]O1	REAL250005030703	0	24	-1.0	-39.98	252.76	-2.45	-42.43
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030704	0	26	-1.0	-41.74	261.71	-0.69	-42.43
N#CC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030705	0	26	-1.0	-47.13	246.49	-1.35	-48.48
O=C1N=C(CNS(=O)(=O)C2=CC=C3CCCC3=C2)[N-]O1	REAL250005030706	0	32	-1.0	-41.56	286.45	0.83	-40.73
CC1=NOC(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030707	0	27	-1.0	-39.06	253.97	-2.13	-41.19
COC1=CC=C(C)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030708	0	32	-1.0	-43.69	282.83	-0.59	-44.28
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC=C2F)[N-]O1	REAL250005030709	0	25	-1.0	-40.96	245.57	-1.27	-42.23
CC1=NNC(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030710	0	28	-1.0	-41.62	257.08	-3.25	-44.87
O=C1N=C(CNS(=O)(=O)CC2=CC=CC=C2)[N-]O1	REAL250005030711	0	28	-1.0	-44.79	264.66	-0.38	-45.17
N#CC1=CC=C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030712	0	29	-1.0	-46.48	285.51	0.03	-46.45
NC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030713	0	29	-1.0	-46.00	275.40	-4.30	-50.30
CCN(CC)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030714	0	29	-1.0	-40.50	254.17	-2.34	-42.84
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC(F)=C2)[N-]O1	REAL250005030715	0	25	-1.0	-38.73	253.70	-0.95	-39.68
N#CC1=CC=CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030716	0	29	-1.0	-47.59	285.51	0.02	-47.57
N#CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030717	0	26	-1.0	-43.93	261.74	-0.69	-44.62
CC1=NN(C)C(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030718	0	31	-1.0	-42.49	277.60	-2.06	-44.55
O=C1N=C(CNS(=O)(=O)C2=CC=CC(Cl)=C2)[N-]O1	REAL250005030719	0	25	-1.0	-41.07	257.62	-0.56	-41.63
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005030720	0	25	-1.0	-40.89	254.71	-1.28	-42.17
O=C1N=C(CNS(=O)(=O)N2CCCCCC2)[N-]O1	REAL250005030721	0	33	-1.0	-41.02	273.56	-1.00	-42.02
O=C1N=C(CNS(=O)(=O)CC2=CC=CC=C2)[N-]O1	REAL250005030722	0	28	-1.0	-44.79	264.66	-0.38	-45.17
O=C1N=C(CNS(=O)(=O)N2CCOCC2)[N-]O1	REAL250005030723	0	28	-1.0	-40.64	250.12	-4.30	-44.94
O=C1N=C(CNS(=O)(=O)CC2=CC=C(F)C=C2)[N-]O1	REAL250005030724	0	28	-1.0	-44.60	271.06	-0.30	-44.90
O=C1N=C(CNS(=O)(=O)C2=CC=CN=C2Cl)[N-]O1	REAL250005030725	0	24	-1.0	-42.91	237.76	-2.89	-45.80
O=C1N=C(CNS(=O)(=O)N2CCCCC2)[N-]O1	REAL250005030726	0	30	-1.0	-40.32	257.20	-1.98	-42.30
CC1=CC(F)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030727	0	28	-1.0	-39.13	262.01	-0.12	-39.25
CC1CC(C)CN(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005030728	0	36	-1.0	-39.86	298.83	-0.81	-40.67
CC1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005030729	0	33	-1.0	-40.47	279.87	-1.27	-41.74
CC1CCCCN1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030730	0	33	-1.0	-40.32	271.30	-1.00	-41.32
CN1C=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005030731	0	25	-1.0	-46.31	258.36	-1.53	-47.84
CN(C1CCCCC1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030732	0	36	-1.0	-40.04	293.35	-0.72	-40.76
CN(CCC#N)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030733	0	27	-1.0	-44.70	260.54	-2.48	-47.18
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005030734	0	32	-1.0	-41.77	290.46	-1.04	-42.81
CCCCN(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030735	0	32	-1.0	-40.99	282.51	-1.44	-42.43
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005030736	0	25	-1.0	-43.54	245.44	-3.37	-46.91
O=C1N=C(CNS(=O)(=O)CCC2=CC=CC=C2)[N-]O1	REAL250005030737	0	31	-1.0	-43.82	286.15	0.42	-43.40
CCCN(CCC)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030738	0	35	-1.0	-40.16	297.17	-0.83	-40.99
CC(C)N(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030739	0	29	-1.0	-40.45	252.45	-2.62	-43.07
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005030740	0	28	-1.0	-40.82	267.62	-0.37	-41.19
CC1=CC=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030741	0	28	-1.0	-42.62	260.58	-0.67	-43.29
CC1=CC=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030742	0	28	-1.0	-39.81	262.84	-0.20	-40.01
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005030743	0	32	-1.0	-41.20	285.11	-0.90	-42.10
O=C1N=C(CNS(=O)(=O)C2=CC=CN=C2)[N-]O1	REAL250005030744	0	24	-1.0	-41.67	235.89	-2.87	-44.54
O=C1N=C(CNS(=O)(=O)C2=CN=C3NC=CC=C23)[N-]O1	REAL250005030745	0	28	-1.0	-54.13	269.09	-1.88	-56.01
CC1=CC=CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030746	0	31	-1.0	-44.74	286.06	0.30	-44.44
CC1=CC=CC=C1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030747	0	31	-1.0	-44.22	278.93	0.28	-43.94
O=C1N=C(CNS(=O)(=O)CC2=CC=CC(F)=C2)[N-]O1	REAL250005030748	0	28	-1.0	-45.20	271.05	-0.30	-45.50
O=C1N=C(CNS(=O)(=O)C2=CN=CC(F)=C2)[N-]O1	REAL250005030749	0	24	-1.0	-39.63	242.31	-2.82	-42.45
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005030750	0	25	-1.0	-41.66	256.84	-2.57	-44.23
O=C1N=C(CNS(=O)(=O)C2=CC=CC(F)=C2F)[N-]O1	REAL250005030751	0	25	-1.0	-43.33	245.46	-1.27	-44.60
O=C1N=C(CNS(=O)(=O)CC2=CC=CC=C2F)[N-]O1	REAL250005030752	0	28	-1.0	-46.53	269.98	-0.33	-46.86
O=C1N=C(CNS(=O)(=O)CC2=CC=CC=C2F)[N-]O1	REAL250005030753	0	28	-1.0	-46.53	269.98	-0.33	-46.86
O=CC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030754	0	27	-1.0	-50.16	253.52	0.15	-50.01
CN1C=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030755	0	25	-1.0	-46.90	244.91	-1.99	-48.89
CC1=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL250005030756	0	28	-1.0	-47.14	264.43	-2.20	-49.34
CCN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005030757	0	28	-1.0	-43.37	266.98	-2.52	-45.89
COCC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030758	0	32	-1.0	-42.89	295.97	-1.36	-44.25
O=C1N=C(CNS(=O)(=O)C2CCCCC2)[N-]O1	REAL250005030759	0	31	-1.0	-42.47	266.42	-0.70	-43.17
O=C1N=C(CNS(=O)(=O)CC2CCCCC2)[N-]O1	REAL250005030760	0	34	-1.0	-43.12	283.60	0.04	-43.08
CCOCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030761	0	28	-1.0	-42.72	260.28	-3.36	-46.08
N#CCCCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030762	0	28	-1.0	-49.43	268.60	-1.30	-50.73
O=C1N=C(CNS(=O)(=O)CC2CCCO2)[N-]O1	REAL250005030763	0	29	-1.0	-46.99	260.34	-2.75	-49.74
O=C1N=C(CNS(=O)(=O)CC2CCCCO2)[N-]O1	REAL250005030764	0	32	-1.0	-45.21	278.84	-2.07	-47.28
O=C1N=C(CNS(=O)(=O)C2=CC=C3COCC3=C2)[N-]O1	REAL250005030765	0	30	-1.0	-41.75	276.87	-1.78	-43.53
CC(C1CC1)N(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030766	0	33	-1.0	-40.73	285.39	-1.03	-41.76
COC(=O)CCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030767	0	30	-1.0	-49.81	281.71	-1.79	-51.60
CCOC(=O)CCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030768	0	33	-1.0	-49.51	303.57	-0.86	-50.37
CC1=NNC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030769	0	25	-1.0	-42.69	243.52	-4.11	-46.80
CCCC(C)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030770	0	33	-1.0	-42.93	281.71	-0.45	-43.38
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005030771	0	28	-1.0	-42.53	260.58	-0.66	-43.19
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005030772	0	28	-1.0	-39.62	267.62	-0.38	-40.00
O=C1N=C(CNS(=O)(=O)C2CC3=CC=CC=C3C2)[N-]O1	REAL250005030773	0	32	-1.0	-43.04	279.95	0.48	-42.56
COCCN(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030774	0	30	-1.0	-40.74	270.22	-3.76	-44.50
COCC(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030775	0	28	-1.0	-41.69	257.16	-3.45	-45.14
O=C1N=C(CNS(=O)(=O)CC2CCOC2)[N-]O1	REAL250005030776	0	29	-1.0	-44.52	256.99	-3.17	-47.69
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005030777	0	25	-1.0	-40.72	249.12	-1.27	-41.99
COC(=O)CCN(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030778	0	32	-1.0	-44.04	295.15	-2.21	-46.25
CS(=O)(=O)CCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030779	0	30	-1.0	-56.68	289.89	-5.05	-61.73
CC1=CC=C(C#N)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030780	0	29	-1.0	-41.85	277.22	0.12	-41.73
CS(=O)(=O)CCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030781	0	27	-1.0	-52.45	268.39	-5.83	-58.28
O=C1N=C(CNS(=O)(=O)CCC2=CC=CC=C2)[N-]O1	REAL250005030782	0	31	-1.0	-43.82	286.15	0.42	-43.40
CC1=CC(C#N)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030783	0	29	-1.0	-40.81	276.38	0.20	-40.61
CN(CC1CC1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030784	0	30	-1.0	-41.01	271.95	-1.44	-42.45
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005030785	0	26	-1.0	-41.71	259.87	-0.94	-42.65
N#CC1=C(F)C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030786	0	26	-1.0	-47.47	252.33	-1.30	-48.77
CN(C1CCOCC1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030787	0	34	-1.0	-40.53	287.94	-3.00	-43.53
CC(C)N1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005030788	0	31	-1.0	-42.70	285.65	-1.99	-44.69
O=C1N=C(CNS(=O)(=O)CC2=NOC=C2)[N-]O1	REAL250005030789	0	24	-1.0	-47.52	239.64	-3.09	-50.61
CC(C)C1=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN1	REAL250005030790	0	31	-1.0	-45.81	282.67	-2.50	-48.31
O=C1N=C(CNS(=O)(=O)N2CC3CCC2C3)[N-]O1	REAL250005030791	0	31	-1.0	-41.48	268.46	-1.55	-43.03
CC(C)OCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030792	0	31	-1.0	-42.64	280.55	-2.61	-45.25
O=C1N=C(CNS(=O)(=O)CC2CCOCC2)[N-]O1	REAL250005030793	0	32	-1.0	-43.83	274.78	-2.37	-46.20
CC1=NOC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030794	0	27	-1.0	-47.53	261.58	-2.21	-49.74
CC1=C(F)C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030795	0	28	-1.0	-40.79	260.81	-0.16	-40.95
CC1=NC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005030796	0	27	-1.0	-40.17	265.15	-2.49	-42.66
N#CCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030797	0	29	-1.0	-47.56	283.15	0.09	-47.47
COCCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030798	0	28	-1.0	-45.04	259.92	-3.53	-48.57
CCC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030799	0	31	-1.0	-41.50	283.80	0.35	-41.15
CC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030800	0	28	-1.0	-40.87	256.44	-0.27	-41.14
CC1=CC(F)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030801	0	28	-1.0	-40.29	268.71	-0.35	-40.64
CC(C)(C)CCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030802	0	33	-1.0	-42.99	281.48	-0.90	-43.89
CC1=CC=C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005030803	0	34	-1.0	-45.08	303.07	0.84	-44.24
COC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005030804	0	26	-1.0	-45.10	261.20	-2.05	-47.15
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=NON=C32)[N-]O1	REAL250005030805	0	26	-1.0	-45.79	251.71	-2.37	-48.16
CC1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005030806	0	24	-1.0	-40.91	249.43	-3.25	-44.16
COC(=O)C(C)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030807	0	30	-1.0	-43.70	275.69	-1.84	-45.54
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=CC=C3O2)[N-]O1	REAL250005030808	0	28	-1.0	-42.80	270.66	-0.70	-43.50
O=C1N=C(CNS(=O)(=O)CC2CCCC2)[N-]O1	REAL250005030809	0	31	-1.0	-43.12	267.87	-0.66	-43.78
COCCOCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030810	0	32	-1.0	-44.84	293.90	-4.10	-48.94
O=C1N=C(CNS(=O)(=O)CCC2CCCO2)[N-]O1	REAL250005030811	0	32	-1.0	-44.25	282.65	-2.28	-46.53
N#CC1=CC(F)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030812	0	26	-1.0	-43.10	252.87	-1.28	-44.38
CC(C)N1C=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030813	0	31	-1.0	-45.61	286.34	-0.69	-46.30
CN(C1CCCC1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030814	0	33	-1.0	-40.38	279.40	-1.22	-41.60
CCCN(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030815	0	29	-1.0	-41.01	261.02	-2.22	-43.23
CN1C(Cl)=NC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030816	0	25	-1.0	-39.41	255.87	-2.13	-41.54
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N=C1Cl	REAL250005030817	0	25	-1.0	-44.85	261.08	-2.26	-47.11
CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C#N	REAL250005030818	0	29	-1.0	-47.11	265.64	-0.84	-47.95
CCCN1C=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030819	0	31	-1.0	-45.83	288.22	-0.34	-46.17
CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005030820	0	28	-1.0	-43.16	259.49	-0.69	-43.85
COCCC(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030821	0	31	-1.0	-40.71	274.21	-2.73	-43.44
O=C1N=C(CNS(=O)(=O)C2=CN3CCCCC3=N2)[N-]O1	REAL250005030822	0	32	-1.0	-47.03	284.66	-0.91	-47.94
CC(C)(C#N)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030823	0	28	-1.0	-42.55	255.43	-1.59	-44.14
COCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030824	0	32	-1.0	-42.07	295.97	-1.35	-43.42
CC(C)CN(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030825	0	32	-1.0	-40.67	273.18	-1.30	-41.97
CC1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005030826	0	30	-1.0	-40.70	264.99	-2.12	-42.82
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005030827	0	28	-1.0	-40.90	265.67	-1.56	-42.46
COCC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030828	0	32	-1.0	-40.69	287.39	-0.95	-41.64
CC1(C)CN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005030829	0	34	-1.0	-40.31	287.37	-2.82	-43.13
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005030830	0	25	-1.0	-41.67	245.49	-2.27	-43.94
CC1=C(C)SC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030831	0	28	-1.0	-40.95	273.85	-0.69	-41.64
O=C1N=C(CNS(=O)(=O)C2=CC=C3OCOC3=C2)[N-]O1	REAL250005030832	0	28	-1.0	-42.62	266.95	-2.42	-45.04
O=C1N=C(CNS(=O)(=O)C2=CN=CC(Cl)=C2)[N-]O1	REAL250005030833	0	24	-1.0	-39.33	252.65	-2.39	-41.72
CCN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N=C1C	REAL250005030834	0	31	-1.0	-48.37	286.44	-1.30	-49.67
CCN(CC1CC1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030835	0	33	-1.0	-40.46	286.15	-0.85	-41.31
CC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030836	0	30	-1.0	-44.62	283.64	-0.59	-45.21
NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030837	0	27	-1.0	-42.95	255.97	-3.21	-46.16
CCC1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005030838	0	27	-1.0	-40.43	270.92	-2.50	-42.93
CC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005030839	0	37	-1.0	-42.89	290.73	0.43	-42.46
CN1N=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030840	0	25	-1.0	-39.90	240.12	-3.41	-43.31
N#CC1=NC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030841	0	25	-1.0	-46.73	241.62	-3.19	-49.92
CC(=O)OCCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030842	0	30	-1.0	-47.51	283.26	-1.63	-49.14
CN(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030843	0	33	-1.0	-42.75	292.40	-0.68	-43.43
O=C1N=C(CNS(=O)(=O)CCC2=CC=CS2)[N-]O1	REAL250005030844	0	28	-1.0	-43.35	276.38	-0.49	-43.84
CN(C)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030845	0	33	-1.0	-42.50	292.43	-0.68	-43.18
CC(C)C1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030846	0	34	-1.0	-41.49	294.79	1.00	-40.49
CN(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005030847	0	29	-1.0	-36.56	263.79	2.39	-34.17
CN1N=NC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030848	0	24	-1.0	-41.41	230.90	-5.00	-46.41
CCC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030849	0	31	-1.0	-41.01	272.62	0.70	-40.31
COCN1N=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030850	0	29	-1.0	-42.19	274.90	-4.87	-47.06
O=C1N=C(CNS(=O)(=O)C2=CN=C3CCCN23)[N-]O1	REAL250005030851	0	29	-1.0	-46.14	262.96	-1.91	-48.05
NC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030852	0	27	-1.0	-42.38	255.99	-3.20	-45.58
O=C1N=C(CNS(=O)(=O)C2=CC=CN=C2)[N-]O1	REAL250005030853	0	24	-1.0	-41.67	235.89	-2.87	-44.54
CCC1=CC=C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030854	0	34	-1.0	-44.64	307.54	1.07	-43.57
CN(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005030855	0	32	-1.0	-38.65	278.09	2.83	-35.82
O=C1N=C(CNS(=O)(=O)CCCCCl)[N-]O1	REAL250005030856	0	27	-1.0	-44.36	264.90	-1.21	-45.57
CC1=CC=CC(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030857	0	28	-1.0	-43.89	255.72	-0.30	-44.19
N#CC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005030858	0	29	-1.0	-50.93	269.33	-1.24	-52.17
COC1=CN=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030859	0	28	-1.0	-41.73	265.48	-3.61	-45.34
CC(C#N)CN(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030860	0	30	-1.0	-43.67	273.67	-1.78	-45.45
CCN(CCC#N)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030861	0	30	-1.0	-44.24	275.02	-1.85	-46.09
CCN(CC(C)C#N)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030862	0	33	-1.0	-43.66	290.71	-1.19	-44.85
CC(CC#N)N(C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030863	0	30	-1.0	-50.86	275.74	-1.90	-52.76
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005030864	0	23	-1.0	-40.36	253.40	-1.53	-41.89
CC1=CC=C(CCS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030865	0	34	-1.0	-43.83	307.56	1.10	-42.73
CCCCCCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030866	0	36	-1.0	-43.32	312.24	0.52	-42.80
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(N)=NO1	REAL250005030867	0	26	-1.0	-39.38	248.43	-3.72	-43.10
COC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030868	0	29	-1.0	-43.34	270.40	-1.78	-45.12
N#CCC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030869	0	29	-1.0	-46.26	273.47	0.26	-46.00
N#CCC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030870	0	29	-1.0	-47.38	283.15	0.08	-47.30
CC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005030871	0	31	-1.0	-42.86	264.76	-0.71	-43.57
O=C1N=C(CNS(=O)(=O)C2CS(=O)(=O)C2)[N-]O1	REAL250005030872	0	25	-1.0	-49.08	246.10	-6.21	-55.29
COC1=CC=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030873	0	32	-1.0	-41.83	285.92	-0.97	-42.80
CC(C)CCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030874	0	33	-1.0	-43.34	286.81	-0.53	-43.87
O=C1N=C(CNS(=O)(=O)CCC(F)(F)F)[N-]O1	REAL250005030875	0	24	-1.0	-42.92	244.38	-2.22	-45.14
O=C(NCC1=NC(=O)O[N-]1)N1CCS(=O)(=O)CC1	REAL250005030876	0	29	-1.0	-41.60	257.79	-3.00	-44.60
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005030877	0	28	-1.0	-40.70	268.08	-4.40	-45.10
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1C#N	REAL250005030878	0	29	-1.0	-41.13	280.88	-0.19	-41.32
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005030879	0	27	-1.0	-41.64	257.51	-2.27	-43.91
CN(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005030880	0	32	-1.0	-43.20	290.15	-1.28	-44.48
COC(C)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030881	0	28	-1.0	-45.20	257.08	-3.13	-48.33
CC(C(=O)N(C)C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030882	0	31	-1.0	-50.88	276.93	-3.13	-54.01
COC1CN(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005030883	0	28	-1.0	-41.66	261.76	-4.64	-46.30
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N(C)N=C1	REAL250005030884	0	28	-1.0	-39.57	256.75	-2.58	-42.15
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005030885	0	23	-1.0	-40.85	244.82	-2.54	-43.39
CCOCC(C)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030886	0	34	-1.0	-44.18	296.77	-1.78	-45.96
N#CCC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005030887	0	29	-1.0	-46.07	274.38	-0.85	-46.92
O=C1N=C(CNS(=O)(=O)CCC2CCC2)[N-]O1	REAL250005030888	0	31	-1.0	-43.23	274.48	-0.53	-43.76
O=C1N=C(CNS(=O)(=O)CCCCF)[N-]O1	REAL250005030889	0	27	-1.0	-44.57	254.34	-1.69	-46.26
O=C1N=C(CNS(=O)(=O)C2=CSC=C2)[N-]O1	REAL250005030890	0	22	-1.0	-40.27	232.00	-2.19	-42.46
O=C1N=C(CNS(=O)(=O)CBr)[N-]O1	REAL250005030891	0	18	-1.0	-41.77	205.08	-3.48	-45.25
CN(C(=O)NCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C1	REAL250005030892	0	32	-1.0	-43.83	277.75	-2.46	-46.29
CCOC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030893	0	32	-1.0	-43.22	292.24	-0.86	-44.08
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=C2OCO3)[N-]O1	REAL250005030894	0	28	-1.0	-43.44	261.23	-2.53	-45.97
CN(C(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL250005030895	0	33	-1.0	-36.90	267.95	-0.21	-37.11
CN(CC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005030896	0	25	-1.0	-37.78	235.00	0.11	-37.67
CC(C)(C)OCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030898	0	34	-1.0	-42.60	294.58	-2.22	-44.82
CCS(=O)(CC)=NS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030899	0	31	-1.0	-57.24	285.37	-3.49	-60.73
O=C1N=C(CNS(=O)(=O)CCC2CCCC2)[N-]O1	REAL250005030901	0	34	-1.0	-43.16	290.44	0.01	-43.15
O=C1N=C(CNS(=O)(=O)CCC2CCCCC2)[N-]O1	REAL250005030902	0	37	-1.0	-43.08	306.93	0.59	-42.49
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CS2)[N-]O1	REAL250005030903	0	22	-1.0	-40.91	244.72	-1.77	-42.68
CC1=CSC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030904	0	25	-1.0	-40.51	254.47	-1.42	-41.93
CC(C)(CCl)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030905	0	30	-1.0	-43.67	268.87	-0.74	-44.41
O=C1N=C(CNS(=O)(=O)C2=CNN=C2Cl)[N-]O1	REAL250005030906	0	22	-1.0	-42.91	230.84	-4.66	-47.57
O=C1N=C(CNS(=O)(=O)C2=C3OC=CC3=CC=C2)[N-]O1	REAL250005030907	0	28	-1.0	-44.63	262.98	-0.90	-45.53
O=C1N=C(CNS(=O)(=O)C2=CC=CC=N2)[N-]O1	REAL250005030908	0	24	-1.0	-45.25	236.72	-2.98	-48.23
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)N=C2F)[N-]O1	REAL250005030909	0	24	-1.0	-41.61	240.62	-3.31	-44.92
COC(=O)C1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005030910	0	31	-1.0	-49.46	290.37	-1.24	-50.70
O=C1N=C(CNS(=O)(=O)CC2CC(F)(F)C2)[N-]O1	REAL250005030911	0	28	-1.0	-45.44	266.23	-1.13	-46.57
CC1=NSC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030912	0	24	-1.0	-39.75	249.38	-2.80	-42.55
CO[C@H]1COC[C@H]1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030913	0	30	-1.0	-44.80	261.98	-4.52	-49.32
O=C1N=C(CNS(=O)(=O)CC23CCC(CC2)C3)[N-]O1	REAL250005030914	0	35	-1.0	-43.52	289.25	0.32	-43.20
O=C1N=C(CNS(=O)(=O)N=S2(=O)CCCC2)[N-]O1	REAL250005030915	0	29	-1.0	-56.40	272.09	-3.82	-60.22
O=C1N=C(CNS(=O)(=O)C2=CC=C(C3CC3)C=C2)[N-]O1	REAL250005030916	0	32	-1.0	-41.04	290.12	1.02	-40.02
O=C1N=C(CNS(=O)(=O)C2=C(F)C=CS2)[N-]O1	REAL250005030917	0	22	-1.0	-42.35	235.02	-2.18	-44.53
CS(C)(=O)=NS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030918	0	25	-1.0	-57.51	246.31	-5.14	-62.65
O=C(NCC1=NC(=O)O[N-]1)OCC1CCCCC1	REAL250005030919	0	34	-1.0	-34.85	281.36	1.63	-33.22
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005030920	0	26	-1.0	-42.16	267.61	-0.65	-42.81
O=C1N=C(CNS(=O)(=O)CCC2CCOC2)[N-]O1	REAL250005030921	0	32	-1.0	-45.61	280.19	-2.59	-48.20
CC(F)(F)CCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030922	0	27	-1.0	-43.82	258.86	-1.69	-45.51
O=C(NCC1=NC(=O)O[N-]1)OCC1=CC=C(Cl)C=C1	REAL250005030923	0	28	-1.0	-35.10	274.77	1.84	-33.26
O=C1N=C(CNS(=O)(=O)CC2CC3CCC2C3)[N-]O1	REAL250005030924	0	35	-1.0	-43.23	288.33	0.35	-42.88
O=C1N=C(CNS(=O)(=O)C2=CNC(=O)S2)[N-]O1	REAL250005030925	0	22	-1.0	-43.35	237.69	-5.20	-48.55
CC(C)C1(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005030926	0	31	-1.0	-42.51	263.63	-0.33	-42.84
O=C1N=C(CNS(=O)(=O)C2CC3CCC2O3)[N-]O1	REAL250005030927	0	30	-1.0	-45.94	262.51	-2.80	-48.74
CO[C@@H]1CCC[C@@H]1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030928	0	32	-1.0	-46.32	278.27	-1.40	-47.72
COC1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005030929	0	25	-1.0	-39.73	260.23	-5.61	-45.34
O=C1N=C(CNS(=O)(=O)CCC2CCOCC2)[N-]O1	REAL250005030930	0	35	-1.0	-44.87	298.07	-1.80	-46.67
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005030931	0	28	-1.0	-41.54	269.35	-0.78	-42.32
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL250005030932	0	28	-1.0	-42.77	263.17	-2.92	-45.69
COCC1(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005030933	0	29	-1.0	-45.47	266.66	-2.08	-47.55
N#CC1=CN=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030934	0	25	-1.0	-41.57	256.76	-2.49	-44.06
COC(=O)C(C)(C)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030935	0	33	-1.0	-42.67	289.82	-1.16	-43.83
CC1=NN(C)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030936	0	28	-1.0	-43.59	266.51	-2.81	-46.40
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030937	0	28	-1.0	-41.48	262.31	-0.41	-41.89
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030938	0	26	-1.0	-41.74	261.71	-0.69	-42.43
CN1C=NN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030939	0	24	-1.0	-45.57	233.36	-1.92	-47.49
O=C1N=C(CNS(=O)(=O)CCCCl)[N-]O1	REAL250005030940	0	24	-1.0	-44.98	243.40	-1.99	-46.97
NC1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005030941	0	25	-1.0	-41.49	246.10	-3.74	-45.23
O=C1N=C(CNS(=O)(=O)C2=CN=CS2)[N-]O1	REAL250005030942	0	21	-1.0	-40.97	227.48	-3.97	-44.94
O=C1N=C(CNS(=O)(=O)C2=CC=C3CCOC3=C2)[N-]O1	REAL250005030943	0	30	-1.0	-42.96	276.71	-1.24	-44.20
O=C1N=C(CNS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)[N-]O1	REAL250005030944	0	32	-1.0	-43.65	291.58	1.04	-42.61
N#CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030945	0	26	-1.0	-43.93	261.74	-0.69	-44.62
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=C2OCC3)[N-]O1	REAL250005030946	0	30	-1.0	-44.57	270.56	-1.24	-45.81
CCC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)OC	REAL250005030947	0	31	-1.0	-44.02	276.18	-2.79	-46.81
COC(CC(C)C)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030948	0	37	-1.0	-43.68	312.42	-1.58	-45.26
CC1=CC=C(C=CS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030949	0	32	-1.0	-42.21	294.20	0.77	-41.44
O=C1N=C(CNS(=O)(=O)CCOCC2CC2)[N-]O1	REAL250005030950	0	32	-1.0	-42.74	291.94	-1.78	-44.52
CN(C)C1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005030951	0	33	-1.0	-44.33	280.31	-2.63	-46.96
O=C1N=C(CNS(=O)(=O)CCCC2CCOC2)[N-]O1	REAL250005030952	0	35	-1.0	-45.42	301.69	-1.81	-47.23
O=C1N=C(CNS(=O)(=O)C2=CSC=N2)[N-]O1	REAL250005030953	0	21	-1.0	-42.52	227.20	-4.20	-46.72
COC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL250005030954	0	32	-1.0	-45.30	282.50	-1.35	-46.65
O=C1N=C(CNS(=O)(=O)CCOCC2CCC2)[N-]O1	REAL250005030955	0	35	-1.0	-42.57	308.51	-1.24	-43.81
CN1C=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005030956	0	25	-1.0	-45.41	243.73	-3.49	-48.90
CC1=NOC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030957	0	24	-1.0	-40.77	237.69	-3.15	-43.92
COC(=O)C1(S(=O)(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005030958	0	31	-1.0	-41.80	279.18	-1.00	-42.80
CCN1CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005030959	0	32	-1.0	-47.55	288.98	-2.36	-49.91
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005030960	0	32	-1.0	-41.43	292.25	-0.86	-42.29
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C=C2)[N-]O1	REAL250005030961	0	25	-1.0	-39.80	247.32	-1.01	-40.81
CN(C)S(C)(=O)=NS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030962	0	30	-1.0	-51.60	282.62	-5.12	-56.72
N#CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005030963	0	23	-1.0	-44.33	241.12	-2.24	-46.57
O=C1N=C(CNS(=O)(=O)CC2CCC(F)CC2)[N-]O1	REAL250005030964	0	34	-1.0	-44.39	288.36	0.08	-44.31
COCC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005030965	0	35	-1.0	-43.45	299.23	-1.61	-45.06
O=C1N=C(CNS(=O)(=O)C2=CC=CN=C2F)[N-]O1	REAL250005030966	0	24	-1.0	-44.03	234.25	-3.25	-47.28
O=C1N=C(CNS(=O)(=O)N2CCCOCC2)[N-]O1	REAL250005030967	0	31	-1.0	-40.04	266.85	-3.48	-43.52
COC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005030968	0	34	-1.0	-44.43	291.04	-1.92	-46.35
COC1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005030969	0	34	-1.0	-41.84	289.53	-2.98	-44.82
O=C1N=C(CNS(=O)(=O)C2=CC=CC(F)=C2)[N-]O1	REAL250005030970	0	25	-1.0	-41.61	247.30	-1.02	-42.63
CC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CC1(F)F	REAL250005030971	0	28	-1.0	-43.06	263.28	-1.11	-44.17
CC1(C)C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1(F)F	REAL250005030972	0	31	-1.0	-44.71	285.33	-0.60	-45.31
CCC1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005030973	0	36	-1.0	-40.12	296.15	-0.74	-40.86
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2O)[N-]O1	REAL250005030974	1	26	-1.0	-43.21	250.74	-3.41	-46.62
O=C1N=C(CNS(=O)(=O)CCC2CCCCO2)[N-]O1	REAL250005030975	0	35	-1.0	-44.27	300.76	-1.46	-45.73
O=C1N=C(CNS(=O)(=O)CC2CCC2(F)F)[N-]O1	REAL250005030976	0	28	-1.0	-43.18	265.31	-1.14	-44.32
CCOC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL250005030977	0	35	-1.0	-43.97	304.99	-0.77	-44.74
CC1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N1C	REAL250005030978	0	28	-1.0	-42.43	260.27	-2.11	-44.54
COCC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)OC	REAL250005030979	0	32	-1.0	-45.19	289.46	-4.13	-49.32
NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005030980	0	27	-1.0	-43.98	254.21	-3.46	-47.44
CC1=CC=C(N)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030981	0	30	-1.0	-41.84	270.65	-2.30	-44.14
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC(F)=C2)[N-]O1	REAL250005030982	0	25	-1.0	-38.73	253.70	-0.95	-39.68
CN1N=CC(C2CC2)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030983	0	32	-1.0	-39.32	287.47	-1.20	-40.52
O=C1N=C(CNS(=O)(=O)CC=C(Cl)Cl)[N-]O1	REAL250005030984	0	22	-1.0	-41.81	248.10	-1.74	-43.55
COCC(COC)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030985	0	32	-1.0	-43.02	287.61	-3.60	-46.62
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005030986	0	26	-1.0	-46.60	253.41	-3.46	-50.06
O=C1N=C(CNS(=O)(=O)[C@@H]2COC[C@H]2O)[N-]O1	REAL250005030987	0	27	-1.0	-43.75	242.35	-7.60	-51.35
C[C@@H]1CN(C(=O)NCC2=NC(=O)O[N-]2)C[C@H](C)O1	REAL250005030988	0	33	-1.0	-35.94	272.31	-0.06	-36.00
O=C(NCC1=NC(=O)O[N-]1)OCC1=CC=CC(Cl)=C1	REAL250005030989	0	28	-1.0	-35.85	274.77	1.83	-34.02
O=C(NCC1=NC(=O)O[N-]1)OCCC1=CC=CC=C1	REAL250005030990	0	31	-1.0	-35.77	279.54	2.09	-33.68
CC1=CC=CC=C1COC(=O)NCC1=NC(=O)O[N-]1	REAL250005030991	0	31	-1.0	-36.15	274.17	1.93	-34.22
COC1=CC=CC(COC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030992	0	32	-1.0	-37.89	287.55	0.62	-37.27
O=C1N=C(CNS(=O)(=O)CCN2C=CC=N2)[N-]O1	REAL250005030993	0	28	-1.0	-45.47	267.16	-2.40	-47.87
O=C(NCC1=NC(=O)O[N-]1)OCCC(F)(F)F	REAL250005030994	0	24	-1.0	-34.76	237.76	-0.54	-35.30
O=C1N=C(CNS(=O)(=O)C(Cl)Cl)[N-]O1	REAL250005030995	0	18	-1.0	-38.86	217.00	-2.92	-41.78
N#CC1=CC(F)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005030996	0	26	-1.0	-40.91	268.14	-0.62	-41.53
O=C1N=C(CNS(=O)(=O)C2=C3C=CC=CN3N=C2)[N-]O1	REAL250005030997	0	28	-1.0	-46.25	262.29	-1.77	-48.02
CC(C)(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C(C)(F)F	REAL250005030998	0	33	-1.0	-42.50	279.90	-0.62	-43.12
O=C1N=C(CNS(=O)(=O)C2=CNC3=NC=NC=C23)[N-]O1	REAL250005030999	0	27	-1.0	-44.56	257.41	-2.42	-46.98
O=C1N=C(CNS(=O)(=O)C2=CNC3=CC=CC=C23)[N-]O1	REAL250005031000	0	29	-1.0	-44.95	267.48	-1.45	-46.40
CCC(C)(C)CCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031001	0	36	-1.0	-42.99	295.71	-0.40	-43.39
CC1=CON=C1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031002	0	27	-1.0	-46.95	260.48	-2.44	-49.39
O=C(NCC1=NC(=O)O[N-]1)N1CCC=C(Cl)C1	REAL250005031003	0	27	-1.0	-36.81	247.54	1.28	-35.53
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC=C2O)[N-]O1	REAL250005031004	1	26	-1.0	-41.28	256.79	-3.31	-44.59
CCC1=NN(C)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031005	0	31	-1.0	-43.10	285.16	-1.97	-45.07
COC1=NC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031006	0	28	-1.0	-43.36	259.22	-3.88	-47.24
CC(C)C(C)(C)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031007	0	36	-1.0	-42.43	283.94	-0.33	-42.76
CC1(C)COC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031008	0	35	-1.0	-45.67	301.29	-1.86	-47.53
COC1=NSC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031009	0	25	-1.0	-41.09	251.50	-5.15	-46.24
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C#N)=C1	REAL250005031010	0	29	-1.0	-45.88	267.86	-0.68	-46.56
CC1=CC=CC(C#N)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031011	0	29	-1.0	-48.07	267.99	-0.07	-48.14
O=C1N=C(CNS(=O)(=O)CCCC2CC2)[N-]O1	REAL250005031012	0	31	-1.0	-43.56	279.37	-0.26	-43.82
O=C1N=C(CNS(=O)(=O)C2=CC=NS2)[N-]O1	REAL250005031013	0	21	-1.0	-40.12	227.63	-3.39	-43.51
O=C1N=C(CNS(=O)(=O)CCN2C=NN=N2)[N-]O1	REAL250005031014	0	26	-1.0	-50.16	255.69	-3.22	-53.38
COC1=NSC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031015	0	25	-1.0	-38.74	260.14	-5.29	-44.03
COC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031016	0	31	-1.0	-48.77	280.85	-1.31	-50.08
O=C1N=C(CNS(=O)(=O)C2CCC(F)(F)CC2)[N-]O1	REAL250005031017	0	31	-1.0	-41.88	276.54	-0.66	-42.54
O=C1N=C(CNS(=O)(=O)CC2=CC=NO2)[N-]O1	REAL250005031018	0	24	-1.0	-47.29	239.62	-2.82	-50.11
O=C1N=C(CNS(=O)(=O)CC2CS(=O)(=O)C2)[N-]O1	REAL250005031019	0	28	-1.0	-51.81	271.90	-5.41	-57.22
CC(C)(CCS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL250005031020	0	37	-1.0	-43.10	305.18	0.36	-42.74
CC(F)(F)CCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031021	0	30	-1.0	-47.18	280.36	-0.91	-48.09
O=C1N=C(CNS(=O)(=O)CCCC2=CC=CC=C2)[N-]O1	REAL250005031022	0	34	-1.0	-45.36	307.66	1.19	-44.17
COC(=O)[C@H]1C[C@@H](S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031023	0	31	-1.0	-48.75	285.41	-1.31	-50.06
O=C1N=C(CNS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)[N-]O1	REAL250005031024	0	35	-1.0	-43.31	311.42	1.21	-42.10
CC1CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005031025	0	35	-1.0	-43.77	295.97	-1.60	-45.37
CCCC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031026	0	34	-1.0	-40.96	293.87	1.48	-39.48
CN1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031027	0	32	-1.0	-40.48	275.20	-4.38	-44.86
O=CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031028	0	27	-1.0	-44.54	264.14	-1.36	-45.90
CC1=CN=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031029	0	27	-1.0	-41.24	257.35	-2.23	-43.47
N#CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005031030	0	26	-1.0	-45.85	259.45	-0.98	-46.83
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005031031	0	24	-1.0	-48.15	239.69	-4.76	-52.91
COCCC1(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031032	0	32	-1.0	-42.65	275.50	-2.25	-44.90
O=C(NCC1=NC(=O)O[N-]1)N1CCC(F)(F)CC1	REAL250005031033	0	29	-1.0	-35.62	250.11	0.98	-34.64
O=C(NCC1=NC(=O)O[N-]1)OCC1=CC=C(F)C=C1	REAL250005031034	0	28	-1.0	-35.54	264.45	1.39	-34.15
O=C1N=C(CNS(=O)(=O)CCOC2CCOC2)[N-]O1	REAL250005031035	0	33	-1.0	-44.95	295.72	-3.89	-48.84
CC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL250005031036	0	31	-1.0	-42.71	271.64	-0.41	-43.12
O=C1N=C(CNS(=O)(=O)CCN2CCOC2=O)[N-]O1	REAL250005031037	0	30	-1.0	-51.66	281.05	-3.26	-54.92
COCC1(S(=O)(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005031038	0	32	-1.0	-44.32	275.51	-1.60	-45.92
CC1CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031039	0	31	-1.0	-43.40	273.96	-0.66	-44.06
O=C1N=C(CNS(=O)(=O)C2=CN(C3CCC3)N=C2)[N-]O1	REAL250005031040	0	32	-1.0	-42.50	290.79	-1.40	-43.90
O=C1N=C(CNS(=O)(=O)C2=CC=NN2C2CCC2)[N-]O1	REAL250005031041	0	32	-1.0	-41.05	283.35	-1.51	-42.56
O=C1N=C(CNS(=O)(=O)C2=CN=C3CCCCN23)[N-]O1	REAL250005031042	0	32	-1.0	-44.02	279.27	-1.34	-45.36
CC1=CSC(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031043	0	28	-1.0	-39.15	264.34	-0.39	-39.54
CC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005031044	0	35	-1.0	-43.45	282.48	-1.94	-45.39
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC=C2O)[N-]O1	REAL250005031045	1	26	-1.0	-41.28	256.79	-3.31	-44.59
COC(=O)[C@@H]1C[C@@H]1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031046	0	31	-1.0	-45.86	286.54	-1.23	-47.09
CC(C)(CF)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031047	0	30	-1.0	-43.97	261.14	-1.10	-45.07
O=C1N=C(CNS(=O)(=O)CC2CC23CC3)[N-]O1	REAL250005031048	0	29	-1.0	-43.36	268.82	-0.34	-43.70
CCC1=CN=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031049	0	30	-1.0	-41.08	278.83	-1.46	-42.54
O=C1N=C(CNS(=O)(=O)C2=CSC=C2Cl)[N-]O1	REAL250005031050	0	22	-1.0	-40.77	235.69	-2.09	-42.86
CCOCCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031051	0	31	-1.0	-45.00	281.78	-2.56	-47.56
O=C1N=C(CNS(=O)(=O)C2=CN=CC=N2)[N-]O1	REAL250005031052	0	23	-1.0	-43.08	228.81	-4.65	-47.73
O=C1N=C(CNS(=O)(=O)C2CC3CCCC32)[N-]O1	REAL250005031053	0	32	-1.0	-42.79	271.01	-0.31	-43.10
CC1=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005031055	0	24	-1.0	-43.84	249.14	-3.50	-47.34
CC1=CSC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031056	0	24	-1.0	-42.21	244.98	-3.68	-45.89
N#CC1=CC=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031057	0	25	-1.0	-44.76	257.62	-2.58	-47.34
CCN1N=NC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031058	0	27	-1.0	-40.74	251.27	-4.05	-44.79
O=C1N=C(CNS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)[N-]O1	REAL250005031059	0	34	-1.0	-40.57	285.35	-1.18	-41.75
CN1N=NN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031060	0	23	-1.0	-41.92	229.22	-4.99	-46.91
O=C1N=C(CNS(=O)(=O)C2=CC3=NON=C3C=C2)[N-]O1	REAL250005031061	0	26	-1.0	-40.02	255.77	-2.30	-42.32
CN1N=C(C2CC2)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031062	0	32	-1.0	-40.07	294.20	-1.45	-41.52
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005031063	0	25	-1.0	-43.91	257.58	-2.58	-46.49
O=C1N=C(CNS(=O)(=O)C2=COC3=CC=CC=C23)[N-]O1	REAL250005031064	0	28	-1.0	-42.60	263.82	-1.13	-43.73
C=CCC1(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031065	0	29	-1.0	-43.70	264.27	-0.56	-44.26
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN=C1N	REAL250005031066	0	29	-1.0	-42.86	268.92	-3.37	-46.23
CCOC(C)(C)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031067	0	34	-1.0	-45.82	287.49	-1.92	-47.74
O=C1N=C(CNS(=O)(=O)C2(Cl)CC2)[N-]O1	REAL250005031068	0	22	-1.0	-41.57	230.48	-1.91	-43.48
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C2CC2)=N1	REAL250005031069	0	32	-1.0	-43.69	296.29	-1.18	-44.87
O=C(NCC1=NC(=O)O[N-]1)N1C[C@@H]2CCC[C@@H]2C1	REAL250005031070	0	33	-1.0	-37.11	265.21	1.64	-35.47
O=C1N=C(CNS(=O)(=O)C2=CN=C3C=CC=CN23)[N-]O1	REAL250005031071	0	28	-1.0	-46.80	261.88	-1.00	-47.80
O=C1N=C(CNS(=O)(=O)CC2COCCO2)[N-]O1	REAL250005031072	0	30	-1.0	-46.35	269.73	-3.89	-50.24
CC(C)C(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005031073	0	39	-1.0	-43.08	302.94	0.07	-43.01
CC(C)(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C(F)F	REAL250005031074	0	30	-1.0	-42.96	266.13	-1.02	-43.98
O=C1N=C(CNS(=O)(=O)C[C@@H]2C[C@H]2C(F)F)[N-]O1	REAL250005031075	0	28	-1.0	-47.14	269.04	-0.92	-48.06
O=C1N=C(CNS(=O)(=O)C2=COC3=CC=CC=C23)[N-]O1	REAL250005031076	0	28	-1.0	-42.60	263.82	-1.13	-43.73
O=C1N=C(CNS(=O)(=O)CC2CC3(CC3)C2)[N-]O1	REAL250005031077	0	32	-1.0	-43.59	285.34	0.09	-43.50
O=C1N=C(CNS(=O)(=O)C2C3CCCCC32)[N-]O1	REAL250005031078	0	32	-1.0	-42.30	274.36	-0.09	-42.39
CC1(C)CCCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031079	0	36	-1.0	-40.64	295.70	-0.65	-41.29
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031080	0	35	-1.0	-46.59	300.11	-0.44	-47.03
COC(=O)CCCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031081	0	33	-1.0	-47.59	303.21	-1.01	-48.60
O=C1N=C(CNS(=O)(=O)CC2CCC(F)C2)[N-]O1	REAL250005031082	0	31	-1.0	-43.76	274.41	-0.58	-44.34
O=C1N=C(CNS(=O)(=O)C2=C(Cl)SC=C2)[N-]O1	REAL250005031083	0	22	-1.0	-39.89	236.25	-1.97	-41.86
O=C1N=C(CNS(=O)(=O)C=CC2=CC=CC=C2)[N-]O1	REAL250005031084	0	29	-1.0	-42.23	272.80	0.10	-42.13
CC1CC(C)CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031085	0	37	-1.0	-42.37	301.04	0.24	-42.13
CCN1N=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031086	0	27	-1.0	-43.10	261.60	-4.21	-47.31
O=C1N=C(CNS(=O)(=O)CC2CC(F)C2)[N-]O1	REAL250005031087	0	28	-1.0	-45.92	259.56	-1.20	-47.12
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031088	0	30	-1.0	-45.31	269.26	-4.15	-49.46
CC(OC(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL250005031089	0	24	-1.0	-34.01	236.36	-0.64	-34.65
O=C(NCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1	REAL250005031090	0	30	-1.0	-37.58	263.81	2.06	-35.52
CC1(C)CCCN(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031091	0	35	-1.0	-37.06	275.09	2.20	-34.86
CCCC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031092	0	34	-1.0	-41.48	305.29	1.13	-40.35
O=C1N=C(CNS(=O)(=O)CCOCC(F)F)[N-]O1	REAL250005031093	0	28	-1.0	-46.59	273.29	-3.05	-49.64
CC(=O)CCCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031094	0	32	-1.0	-47.74	292.45	-1.13	-48.87
N#CC1=CC=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031095	0	26	-1.0	-44.11	252.89	-1.28	-45.39
CN1N=C2CCCC2=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031096	0	32	-1.0	-41.23	286.61	-1.57	-42.80
O=C1N=C(CNS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)[N-]O1	REAL250005031097	0	31	-1.0	-40.61	269.05	-1.68	-42.29
CC1=CC=CC(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031098	0	31	-1.0	-40.03	267.59	0.43	-39.60
O=C1N=C(CNS(=O)(=O)C2=CNN=C2C2CCC2)[N-]O1	REAL250005031099	0	32	-1.0	-42.54	290.43	-2.04	-44.58
O=C1N=C(CNS(=O)(=O)CCCCC2CC2)[N-]O1	REAL250005031100	0	34	-1.0	-43.55	300.85	0.53	-43.02
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N=CN1	REAL250005031101	0	25	-1.0	-46.17	240.01	-2.99	-49.16
O=C1N=C(CNS(=O)(=O)C2=CC=C(CF)C=C2)[N-]O1	REAL250005031102	0	28	-1.0	-42.16	268.89	-0.26	-42.42
CC1=NN(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031103	0	28	-1.0	-40.29	263.08	-2.87	-43.16
O=C1N=C(CNS(=O)(=O)N2CCC(F)(F)CC2)[N-]O1	REAL250005031104	0	30	-1.0	-40.23	268.46	-1.88	-42.11
CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005031105	0	31	-1.0	-41.25	273.15	0.37	-40.88
COC[C@]1(S(=O)(=O)NCC2=NC(=O)O[N-]2)C[C@@H]1C	REAL250005031106	0	32	-1.0	-42.95	285.43	-2.10	-45.05
O=C1N=C(CNS(=O)(=O)N2CC3=CC=CC=C3C2)[N-]O1	REAL250005031107	0	31	-1.0	-40.89	283.34	-0.64	-41.53
CN(C1CCC1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031108	0	30	-1.0	-40.71	261.63	-1.96	-42.67
N#CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005031109	0	25	-1.0	-42.93	257.06	-2.56	-45.49
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)N=N2)[N-]O1	REAL250005031110	0	23	-1.0	-44.02	248.66	-3.64	-47.66
CC1CCCC1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031111	0	31	-1.0	-42.56	251.44	-0.98	-43.54
CC1CCCC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031112	0	37	-1.0	-42.95	304.43	0.64	-42.31
O=C1N=C(CNS(=O)(=O)C2(C(F)F)CC2)[N-]O1	REAL250005031113	0	25	-1.0	-47.34	238.70	-1.54	-48.88
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)N=N2)[N-]O1	REAL250005031114	0	23	-1.0	-44.48	238.19	-4.12	-48.60
C[C@@H]1CCC[C@H]1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031115	0	34	-1.0	-42.88	288.21	-0.03	-42.91
O=C1N=C(CNS(=O)(=O)CCC2CCCOC2)[N-]O1	REAL250005031116	0	35	-1.0	-44.47	297.99	-1.79	-46.26
CC1(C)CCOC1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031117	0	35	-1.0	-45.74	294.96	-2.00	-47.74
COC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)OC	REAL250005031118	0	29	-1.0	-48.65	261.68	-3.74	-52.39
O=C1N=C(CNS(=O)(=O)CC(F)(F)CC2CC2)[N-]O1	REAL250005031119	0	31	-1.0	-46.64	288.39	-0.08	-46.72
CC1CC(C)(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031120	0	34	-1.0	-43.12	282.79	-0.26	-43.38
O=C1N=C(CNS(=O)(=O)C2=CC=CC(C3CC3)=C2)[N-]O1	REAL250005031121	0	32	-1.0	-41.60	290.12	1.03	-40.57
COC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005031122	0	26	-1.0	-42.31	256.73	-2.58	-44.89
CN(C(C)(C)C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031123	0	32	-1.0	-39.96	257.93	-2.18	-42.14
O=C1N=C(CNS(=O)(=O)C=CC2=CC=CS2)[N-]O1	REAL250005031124	0	26	-1.0	-41.94	264.77	-0.75	-42.69
CCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005031125	0	28	-1.0	-41.33	266.97	-1.48	-42.81
O=C1N=C(CNS(=O)(=O)C=CC2=CC=CO2)[N-]O1	REAL250005031126	0	26	-1.0	-43.10	256.69	-1.68	-44.78
N#CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031127	0	25	-1.0	-48.10	257.69	-2.68	-50.78
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005031128	0	26	-1.0	-40.48	264.67	-2.63	-43.11
O=C1N=C(CNS(=O)(=O)C2=CN(CCF)N=C2)[N-]O1	REAL250005031129	0	28	-1.0	-43.45	273.57	-2.39	-45.84
CCC(COC)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031130	0	31	-1.0	-41.16	268.36	-2.43	-43.59
O=C1N=C(CNS(=O)(=O)C[C@@H]2C[C@H]2CF)[N-]O1	REAL250005031131	0	28	-1.0	-45.48	264.35	-1.01	-46.49
O=C1N=C(CNS(=O)(=O)C2=CC=C3CCNC3=C2)[N-]O1	REAL250005031132	0	31	-1.0	-42.86	280.84	-1.89	-44.75
O=C1N=C(CNS(=O)(=O)C2CC23CCC3)[N-]O1	REAL250005031133	0	29	-1.0	-43.01	262.02	-0.62	-43.63
O=C(N=S1(=O)CCCC1)NCC1=NC(=O)O[N-]1	REAL250005031134	0	28	-1.0	-55.53	254.56	-1.99	-57.52
COC(=O)C1CN(C(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005031135	0	33	-1.0	-38.60	285.54	-0.09	-38.69
O=C1N=C(CNS(=O)(=O)C2=CN=C3C=CC=NN23)[N-]O1	REAL250005031136	0	27	-1.0	-48.75	265.04	-2.48	-51.23
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C)=N1	REAL250005031137	0	30	-1.0	-40.75	279.29	-1.65	-42.40
O=C1N=C(CNS(=O)(=O)CCCN2C=NN=N2)[N-]O1	REAL250005031138	0	29	-1.0	-56.86	277.18	-2.42	-59.28
O=C1N=C(CNS(=O)(=O)C2=C3C=CC=NN3N=C2)[N-]O1	REAL250005031139	0	27	-1.0	-48.32	257.91	-3.47	-51.79
O=C1N=C(CNS(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[N-]O1	REAL250005031140	0	30	-1.0	-45.37	255.10	-3.14	-48.51
O=C1N=C(CNS(=O)(=O)C2(CCl)CC2)[N-]O1	REAL250005031141	0	25	-1.0	-45.00	236.04	-1.44	-46.44
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2CF)[N-]O1	REAL250005031142	0	28	-1.0	-43.23	261.07	-0.01	-43.24
COC(=O)C1CCN(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031143	0	35	-1.0	-41.08	293.33	1.49	-39.59
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)O2)[N-]O1	REAL250005031144	0	22	-1.0	-39.44	240.64	-2.47	-41.91
O=C1N=C(CNS(=O)(=O)N2CC3CC2C3)[N-]O1	REAL250005031145	0	28	-1.0	-41.71	252.85	-2.19	-43.90
O=C1N=C(CNS(=O)(=O)C=CC2=CC=C(F)C=C2)[N-]O1	REAL250005031146	0	29	-1.0	-42.02	279.21	0.17	-41.85
COC(=O)[C@@H]1CCCN1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031147	0	32	-1.0	-44.07	278.09	0.84	-43.23
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005031148	0	27	-1.0	-40.66	257.68	-2.27	-42.93
O=C1N=C(CNS(=O)(=O)C2CC3(CC3)C2)[N-]O1	REAL250005031149	0	29	-1.0	-42.67	262.89	-0.56	-43.23
CC1=COC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031150	0	25	-1.0	-41.54	245.47	-2.42	-43.96
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005031151	0	25	-1.0	-41.67	245.49	-2.27	-43.94
CCC1=NNC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031152	0	28	-1.0	-42.41	263.29	-3.36	-45.77
C[C@@H]1CCO[C@@H]1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031153	0	32	-1.0	-45.84	276.76	-2.50	-48.34
O=C1N=C(CNS(=O)(=O)C2CC3C(C2)C3(F)F)[N-]O1	REAL250005031154	0	29	-1.0	-45.87	270.35	-0.51	-46.38
CN1N=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005031155	0	25	-1.0	-40.29	252.23	-3.40	-43.69
N#CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)OC=C1	REAL250005031156	0	23	-1.0	-45.54	242.74	-2.61	-48.15
N#C[C@@H]1C[C@H]1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031157	0	26	-1.0	-49.76	257.32	-1.39	-51.15
CC(=O)OC1CCN(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031158	0	32	-1.0	-41.09	280.33	0.83	-40.26
COC[C@@H](CS(=O)(=O)NCC1=NC(=O)O[N-]1)OC	REAL250005031159	0	32	-1.0	-46.80	284.92	-3.66	-50.46
CC1(C)COCCN1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031160	0	33	-1.0	-36.33	262.91	-0.30	-36.63
O=C1N=C(CNS(=O)(=O)C2=C(Cl)OC=C2)[N-]O1	REAL250005031161	0	22	-1.0	-40.43	231.15	-2.95	-43.38
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CS2)[N-]O1	REAL250005031162	0	22	-1.0	-39.21	249.71	-1.57	-40.78
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2C2CC2)[N-]O1	REAL250005031163	0	32	-1.0	-42.25	283.68	1.15	-41.10
CC1(C)CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031164	0	36	-1.0	-39.98	291.43	-1.11	-41.09
N#CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL250005031165	0	23	-1.0	-43.50	235.58	-3.18	-46.68
N#CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005031166	0	23	-1.0	-44.39	248.68	-1.89	-46.28
O=C1N=C(CNS(=O)(=O)C2=NC=CC=C2Cl)[N-]O1	REAL250005031167	0	24	-1.0	-44.68	247.16	-2.39	-47.07
COC1=CC=NC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031168	0	28	-1.0	-43.17	256.91	-3.14	-46.31
CC1=CC=NC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031169	0	27	-1.0	-40.85	251.19	-1.98	-42.83
CC(C)N1N=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031170	0	31	-1.0	-39.86	282.61	-1.82	-41.68
CC(C1=CC=CC=C1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031171	0	31	-1.0	-43.81	279.85	0.35	-43.46
O=C1N=C(CNS(=O)(=O)C2=CC=NN2CC2CC2)[N-]O1	REAL250005031172	0	32	-1.0	-39.74	289.35	-0.95	-40.69
COC1=NOC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031173	0	28	-1.0	-47.43	272.58	-4.80	-52.23
CC(C)N1C=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031174	0	31	-1.0	-44.68	283.95	-2.11	-46.79
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005031175	0	42	-1.0	-37.45	308.35	3.50	-33.95
O=C1N=C(CNS(=O)(=O)N2CCC3=CC=CN=C32)[N-]O1	REAL250005031176	0	30	-1.0	-45.67	276.03	-0.70	-46.37
CC1(C)CCN(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031177	0	35	-1.0	-36.72	273.07	1.76	-34.96
CN(CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031178	0	35	-1.0	-38.51	300.55	3.59	-34.92
O=C(NCC1=NC(=O)O[N-]1)N1CCOC(C2CC2)C1	REAL250005031179	0	34	-1.0	-36.16	282.57	0.74	-35.42
CC(=O)OC1CCCN(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031180	0	35	-1.0	-43.40	294.55	1.73	-41.67
O=C(NCC1=NC(=O)O[N-]1)N1CCC(C(F)(F)F)CC1	REAL250005031181	0	32	-1.0	-37.51	276.18	1.79	-35.72
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C=C2)[N-]O1	REAL250005031182	0	25	-1.0	-39.66	257.64	-0.57	-40.23
CC(C)C1CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031183	0	37	-1.0	-43.47	311.57	0.54	-42.93
O=C(NCC1=NC(=O)O[N-]1)N1CCC[C@@H]2CCCC[C@@H]21	REAL250005031184	0	39	-1.0	-37.71	291.67	3.06	-34.65
O=C1N=C(CNS(=O)(=O)C2=CC=CC(O)=C2)[N-]O1	REAL250005031185	0	26	-1.0	-43.09	251.92	-3.94	-47.03
CC1=CN=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005031186	0	30	-1.0	-43.80	271.26	-1.36	-45.16
CC1=CN=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031187	0	27	-1.0	-40.04	251.30	-1.97	-42.01
O=C1N=C(CNS(=O)(=O)C2=CSN=C2)[N-]O1	REAL250005031188	0	21	-1.0	-39.94	226.56	-3.49	-43.43
O=C1N=C(CNS(=O)(=O)N2CC3CCC(C2)O3)[N-]O1	REAL250005031189	0	32	-1.0	-40.52	272.13	-2.97	-43.49
N#CC1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031190	0	31	-1.0	-45.35	279.19	-1.60	-46.95
O=C1N=C(CNS(=O)(=O)C=CC2=CC=C(F)C=C2)[N-]O1	REAL250005031191	0	29	-1.0	-42.02	279.21	0.17	-41.85
COC1=CC=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031192	0	28	-1.0	-44.65	266.47	-3.67	-48.32
C=CCN(CC=C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031193	0	31	-1.0	-40.58	281.45	-1.21	-41.79
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005031194	0	28	-1.0	-42.84	263.56	-3.51	-46.35
CC1=CC=CN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005031195	0	27	-1.0	-44.50	244.79	-2.49	-46.99
CC1=CC=C(COC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031196	0	31	-1.0	-36.21	279.45	2.00	-34.21
CC1=CC=C(O)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031197	0	29	-1.0	-42.53	271.80	-2.71	-45.24
O=C1N=C(CNS(=O)(=O)N2CCC(F)(F)C2)[N-]O1	REAL250005031198	0	27	-1.0	-41.52	257.89	-2.59	-44.11
O=C(NCC1=NC(=O)O[N-]1)N1CCCC2=CC=CC=C21	REAL250005031199	0	33	-1.0	-38.46	271.97	3.29	-35.17
O=C(NCC1=NC(=O)O[N-]1)N1CCC2=CC=CC=C2C1	REAL250005031200	0	33	-1.0	-37.64	277.43	2.99	-34.65
O=C(NCC1=NC(=O)O[N-]1)N1C[C@@H]2CCCC[C@@H]2C1	REAL250005031201	0	36	-1.0	-37.72	285.02	2.27	-35.45
O=C1N=C(CNS(=O)(=O)C2=C3CCCCN3N=C2)[N-]O1	REAL250005031202	0	32	-1.0	-42.19	285.07	-1.73	-43.92
COC1=CC=CC(NC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031203	0	30	-1.0	-40.95	265.38	-0.42	-41.37
N#CC1=CC=C(NC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031204	0	27	-1.0	-37.74	256.71	0.68	-37.06
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C(Cl)C=C1	REAL250005031205	0	26	-1.0	-35.87	252.34	0.83	-35.04
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=CC(Cl)=C1	REAL250005031206	0	26	-1.0	-38.18	252.61	0.80	-37.38
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C(F)C=C1	REAL250005031207	0	26	-1.0	-36.22	242.03	0.38	-35.84
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C(F)C=C1F	REAL250005031208	0	26	-1.0	-34.63	247.94	0.49	-34.14
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=CC=C1F	REAL250005031209	0	26	-1.0	-37.15	240.72	0.41	-36.74
COC1=CC=C(NC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031210	0	30	-1.0	-38.33	265.12	-0.40	-38.73
O=C(NCC1=NC(=O)O[N-]1)C1=NC(=O)C2=CC=CC=C2N1	REAL250005031211	1	29	-1.0	-47.99	269.33	-1.11	-49.10
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C([N+](=O)[O-])C=C1	REAL250005031212	0	28	-1.0	-37.40	263.81	0.99	-36.41
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=CC([N+](=O)[O-])=C1	REAL250005031213	0	28	-1.0	-37.00	264.09	0.95	-36.05
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=CC2=CC=CC=C21	REAL250005031214	0	32	-1.0	-38.48	278.21	2.70	-35.78
CC(=O)C1=CC=C(NC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031215	0	31	-1.0	-42.37	276.11	0.68	-41.69
O=C(NCCC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031216	0	32	-1.0	-38.16	289.60	1.27	-36.89
N#CC1=CC=CC(NC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031217	0	27	-1.0	-40.98	256.75	0.67	-40.31
COC1=CC=C(NC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005031218	0	29	-1.0	-37.02	262.97	-3.00	-40.02
COC1=NC=CC=C1NC(=O)NCC1=NC(=O)O[N-]1	REAL250005031219	0	29	-1.0	-37.94	262.04	-2.85	-40.79
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CC1=CSC(NC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031221	0	25	-1.0	-35.91	241.87	-0.92	-36.83
CC1=C(C)OC(NC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031222	0	28	-1.0	-41.60	255.36	-2.40	-44.00
O=C(NCC1=NC(=O)O[N-]1)NC1=NC2=CC=CC=C2S1	REAL250005031223	0	28	-1.0	-42.48	269.49	1.32	-41.16
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=CC(F)=C1	REAL250005031224	0	26	-1.0	-39.10	242.29	0.35	-38.75
CC(=O)C1=CC=CC(NC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031225	0	31	-1.0	-47.07	276.12	0.71	-46.36
CC1=NN(C(C)C)C(C)=C1NC(=O)NCC1=NC(=O)O[N-]1	REAL250005031226	0	38	-1.0	-41.03	321.22	0.51	-40.52
CC(C)(C)C1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005031227	0	32	-1.0	-39.28	283.26	-1.17	-40.45
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C2OCCOC2=C1	REAL250005031228	0	32	-1.0	-39.00	280.42	-0.57	-39.57
O=C(NCC1=NC(=O)O[N-]1)NC1=CC(F)=CC(F)=C1	REAL250005031230	0	26	-1.0	-35.46	248.44	0.46	-35.00
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C([N+](=O)[O-])C=C1F	REAL250005031231	0	28	-1.0	-34.73	269.72	1.10	-33.63
COCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005031232	0	26	-1.0	-40.90	250.22	-4.41	-45.31
CC1=CC=C(Cl)C=C1NC(=O)NCC1=NC(=O)O[N-]1	REAL250005031233	0	29	-1.0	-37.78	271.15	1.73	-36.05
CC1=CC=CC(NC(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005031234	0	32	-1.0	-37.67	270.40	1.70	-35.97
CC1=CC=C(NC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005031235	0	32	-1.0	-37.96	274.29	1.49	-36.47
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C(F)C(Cl)=C1	REAL250005031236	0	26	-1.0	-34.75	258.21	0.88	-33.87
COC1=CC(OC)=CC(NC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031237	0	34	-1.0	-40.50	294.59	-1.07	-41.57
CC1=CC(C)=CC(NC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031238	0	32	-1.0	-37.95	278.69	1.62	-36.33
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C(F)C(F)=C1	REAL250005031239	0	26	-1.0	-35.05	248.33	0.43	-34.62
CCC1=CC=C(NC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031240	0	32	-1.0	-37.33	278.50	1.76	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=C(O)C=C2S1	REAL250005031241	0	27	-1.0	-40.03	267.54	-2.30	-42.33
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1CCSCC1	REAL250005031242	0	30	-1.0	-35.68	271.38	0.91	-34.77
O=C(NCC1=NC(=O)O[N-]1)C1=NC(C2CC2)=NO1	REAL250005031243	0	26	-1.0	-35.95	248.05	-1.95	-37.90
O=C(NCC1=NC(=O)O[N-]1)C1=NC(C2=CN=CC=N2)=NO1	REAL250005031244	0	27	-1.0	-39.76	266.09	-4.15	-43.91
CC(C)(C)N1N=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031245	0	31	-1.0	-40.53	278.33	-1.20	-41.73
CC1(C2=NN=C(C(=O)NCC3=NC(=O)O[N-]3)O2)CC1	REAL250005031246	0	29	-1.0	-38.98	269.93	-3.79	-42.77
O=C(NCC1=NC(=O)O[N-]1)C1=NN=C(C2CC2)O1	REAL250005031247	0	26	-1.0	-38.96	248.37	-4.20	-43.16
CC(C)(C)C1=NN=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005031248	0	31	-1.0	-38.54	278.82	-3.96	-42.50
O=C(NCC1=NC(=O)O[N-]1)C1=NN=C(NC2CC2)O1	REAL250005031249	0	28	-1.0	-39.13	264.29	-5.26	-44.39
O=C(NCC1=NC(=O)O[N-]1)C1=NN=C(C2=CSC=N2)O1	REAL250005031250	0	25	-1.0	-42.54	261.15	-5.89	-48.43
COC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031251	0	26	-1.0	-41.70	245.55	-4.11	-45.81
O=C(NCC1=NC(=O)O[N-]1)C1=NN=C(C2=CC=NS2)O1	REAL250005031252	0	25	-1.0	-38.23	262.30	-5.05	-43.28
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)CCN1C(C)C	REAL250005031253	0	36	-1.0	-39.54	294.28	2.00	-37.54
O=C(NCC1=NC(=O)O[N-]1)C(=O)NC1=CC=CC=C1	REAL250005031254	0	28	-1.0	-38.43	258.30	-0.69	-39.12
CNC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031255	0	27	-1.0	-42.80	249.20	-1.81	-44.61
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=NN1	REAL250005031256	0	20	-1.0	-35.14	220.50	-2.06	-37.20
CCNC1=NN=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005031257	0	27	-1.0	-39.39	254.03	-6.20	-45.59
NC1=NC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005031258	0	25	-1.0	-39.56	254.54	-1.56	-41.12
O=C(NCC1=NC(=O)O[N-]1)C1=NN=C(C(F)(F)F)S1	REAL250005031259	0	22	-1.0	-35.76	245.68	-1.78	-37.54
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2O1	REAL250005031260	0	26	-1.0	-41.27	247.05	-2.05	-43.32
CC1(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)CC1	REAL250005031261	0	29	-1.0	-39.89	268.50	-1.30	-41.19
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC(NC2CC2)=N1	REAL250005031262	0	31	-1.0	-42.30	279.89	-0.15	-42.45
O=C(NCC1=NC(=O)O[N-]1)NC1=NC2=C(COCC2)S1	REAL250005031263	0	30	-1.0	-36.79	274.72	-1.31	-38.10
CC1=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005031264	0	27	-1.0	-36.69	262.35	1.50	-35.19
O=C(NCC1=NC(=O)O[N-]1)C(=O)NC1=CC=C(O)C=C1	REAL250005031265	0	29	-1.0	-39.12	269.62	-3.56	-42.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1	REAL250005031266	0	26	-1.0	-35.92	255.81	0.30	-35.62
CC1=CC(C)=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN21	REAL250005031267	0	32	-1.0	-48.53	288.47	1.15	-47.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=N1	REAL250005031268	0	26	-1.0	-37.14	257.47	0.33	-36.81
NC(=O)NCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031269	0	35	-1.0	-42.95	303.96	-3.37	-46.32
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCCC(C1)C2=O	REAL250005031270	0	36	-1.0	-37.91	283.71	1.81	-36.10
CC1=NOC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005031271	0	28	-1.0	-37.26	259.56	-1.51	-38.77
CC(NC(=O)C(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031272	0	36	-1.0	-37.19	302.70	-0.69	-37.88
CCOC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031273	0	38	-1.0	-41.72	316.93	0.86	-40.86
CC1=NN2C(=C1)N=CC(C(=O)NCC1=NC(=O)O[N-]1)=C2C	REAL250005031274	0	32	-1.0	-38.41	288.24	0.91	-37.50
CS(=O)(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031275	0	28	-1.0	-43.76	264.28	-5.13	-48.89
CN1C(=O)C=CN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005031276	0	30	-1.0	-45.52	273.47	-0.26	-45.78
O=C(CCC(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031277	0	32	-1.0	-37.82	293.76	2.43	-35.39
CC1=NN(C)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031278	0	36	-1.0	-39.86	309.04	1.31	-38.55
CC1=NN(C)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005031279	0	33	-1.0	-41.32	286.61	0.47	-40.85
CSCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005031280	0	28	-1.0	-39.49	271.99	1.10	-38.39
CC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005031281	0	26	-1.0	-36.63	247.24	-0.48	-37.11
O=C(COC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005031282	0	28	-1.0	-38.46	271.40	2.13	-36.33
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005031283	0	27	-1.0	-40.16	254.50	-1.43	-41.59
CC(=O)NC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031284	0	34	-1.0	-43.81	301.84	0.62	-43.19
CC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031285	0	34	-1.0	-40.77	303.01	0.07	-40.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2S1	REAL250005031286	0	27	-1.0	-38.93	260.22	2.46	-36.47
CC1=CC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CN2C=C1	REAL250005031287	0	30	-1.0	-46.03	272.85	2.18	-43.85
CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005031288	0	34	-1.0	-38.59	296.15	3.00	-35.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=C1	REAL250005031289	0	28	-1.0	-39.12	260.28	0.63	-38.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)F)=C1	REAL250005031290	0	28	-1.0	-38.32	260.36	0.63	-37.69
O=C(CC1=C(F)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005031291	0	27	-1.0	-38.56	265.11	2.17	-36.39
CCOC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031292	0	35	-1.0	-38.88	306.02	1.83	-37.05
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005031293	0	34	-1.0	-39.28	302.88	1.91	-37.37
O=C(CCC1=NC2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL250005031294	0	32	-1.0	-40.76	289.48	-0.50	-41.26
O=C(CCC1=CSC=C1)NCC1=NC(=O)O[N-]1	REAL250005031295	0	27	-1.0	-35.75	257.13	1.46	-34.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CN=C21	REAL250005031296	0	29	-1.0	-45.64	260.22	1.86	-43.78
CCCCC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031297	0	39	-1.0	-37.01	331.63	4.73	-32.28
COCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031298	0	31	-1.0	-38.48	276.19	0.77	-37.71
O=C(CN1CCSC1=O)NCC1=NC(=O)O[N-]1	REAL250005031299	0	26	-1.0	-44.67	249.63	-0.92	-45.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=C2)C=C1	REAL250005031300	0	32	-1.0	-37.07	281.85	3.83	-33.24
O=C(CC1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005031301	0	33	-1.0	-39.26	288.43	3.85	-35.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL250005031302	0	24	-1.0	-34.63	242.41	1.67	-32.96
O=C(COC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL250005031303	0	30	-1.0	-48.65	280.69	2.77	-45.88
O=C(CCC1=CNC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005031304	0	34	-1.0	-39.47	299.06	2.59	-36.88
CC1CCC2=C(C1)SC=C2C(=O)NCC1=NC(=O)O[N-]1	REAL250005031305	0	34	-1.0	-37.01	292.90	3.21	-33.80
O=C(CCCOC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005031306	0	34	-1.0	-38.93	297.12	2.12	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=CSC2=C1	REAL250005031307	0	26	-1.0	-37.85	252.21	0.43	-37.42
CC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005031308	0	33	-1.0	-39.53	293.22	0.64	-38.89
O=C(CC1CC2CCC1C2)NCC1=NC(=O)O[N-]1	REAL250005031309	0	34	-1.0	-35.91	270.56	2.30	-33.61
CC(OC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031310	0	31	-1.0	-37.15	288.03	2.75	-34.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1Cl	REAL250005031311	0	24	-1.0	-36.81	248.83	2.02	-34.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1Cl	REAL250005031312	0	24	-1.0	-36.50	250.38	2.08	-34.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1	REAL250005031313	0	24	-1.0	-33.91	254.59	2.07	-31.84
CCN(CC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031314	0	38	-1.0	-38.35	316.02	3.35	-35.00
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL250005031315	0	32	-1.0	-40.74	279.54	1.37	-39.37
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL250005031316	0	32	-1.0	-40.27	277.82	0.92	-39.35
COC1=CC(OC)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031317	0	32	-1.0	-39.84	280.07	-0.35	-40.19
CN(C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031318	0	32	-1.0	-38.40	272.63	1.44	-36.96
CN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031319	0	32	-1.0	-38.64	273.39	1.48	-37.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL250005031320	0	34	-1.0	-37.80	295.22	4.46	-33.34
O=C(CC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031321	0	27	-1.0	-36.52	262.48	2.25	-34.27
O=C(COC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031322	0	28	-1.0	-37.36	271.40	2.14	-35.22
CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031323	0	31	-1.0	-36.59	272.39	1.29	-35.30
CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031324	0	31	-1.0	-41.32	270.31	2.53	-38.79
O=C(CC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031325	0	27	-1.0	-36.98	252.16	1.80	-35.18
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL250005031326	0	29	-1.0	-35.08	265.26	2.23	-32.85
CCOC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031327	0	30	-1.0	-40.32	268.00	-0.05	-40.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL250005031328	0	24	-1.0	-36.07	232.07	1.19	-34.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=CC=C2O1	REAL250005031329	0	29	-1.0	-37.64	271.13	1.30	-36.34
CC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031330	0	37	-1.0	-38.85	318.52	2.80	-36.05
CC1=CC=CC(OCCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031331	0	37	-1.0	-39.08	318.53	2.80	-36.28
COC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031332	0	32	-1.0	-39.13	284.16	0.90	-38.23
COC1=CC=C(OC)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031333	0	35	-1.0	-40.66	303.55	0.36	-40.30
COC1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031334	0	32	-1.0	-37.69	293.74	1.48	-36.21
O=C(CCC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031335	0	30	-1.0	-36.35	273.56	2.60	-33.75
CCOC1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031336	0	37	-1.0	-38.25	317.32	2.82	-35.43
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005031337	0	28	-1.0	-38.56	255.07	0.43	-38.13
COC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031338	0	34	-1.0	-37.98	296.65	1.84	-36.14
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL250005031339	0	32	-1.0	-38.09	279.74	0.26	-37.83
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005031340	0	30	-1.0	-39.43	276.52	1.80	-37.63
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005031341	0	27	-1.0	-36.94	256.59	1.63	-35.31
COC1=CC=C(C)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005031342	0	34	-1.0	-39.46	295.47	1.75	-37.71
COC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031343	0	30	-1.0	-44.19	276.61	2.28	-41.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=CC=CC=C21	REAL250005031344	0	29	-1.0	-37.52	257.32	1.42	-36.10
O=C(COC1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005031345	0	34	-1.0	-40.61	299.70	3.92	-36.69
CC1=CC=C(Cl)C(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031346	0	31	-1.0	-39.85	292.10	2.82	-37.03
O=C(COC1=CC=C2CCCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005031347	0	35	-1.0	-39.23	300.20	3.52	-35.71
COC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031348	0	28	-1.0	-40.15	265.17	2.13	-38.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)S1	REAL250005031349	0	31	-1.0	-37.13	276.88	2.67	-34.46
O=C(CCSC1=CC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005031350	0	31	-1.0	-37.89	291.71	3.03	-34.86
CC1=CC=C(C)C(SCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031351	0	34	-1.0	-37.22	304.18	3.43	-33.79
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005031352	0	27	-1.0	-36.45	248.24	-2.23	-38.68
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005031353	0	28	-1.0	-37.74	253.51	-1.77	-39.51
CC1CC1C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005031354	0	37	-1.0	-37.27	319.98	3.73	-33.54
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL250005031355	0	30	-1.0	-40.19	270.12	2.14	-38.05
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031356	0	30	-1.0	-36.83	275.88	1.72	-35.11
CCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031357	0	34	-1.0	-38.31	297.11	1.95	-36.36
O=C(CC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL250005031358	0	29	-1.0	-44.81	266.36	2.07	-42.74
CC(OC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031359	0	31	-1.0	-38.09	271.30	2.23	-35.86
O=C(CCC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005031360	0	36	-1.0	-35.45	287.93	2.70	-32.75
O=C(COC1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005031361	0	28	-1.0	-40.21	270.70	2.15	-38.06
CC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031362	0	31	-1.0	-38.83	276.07	2.29	-36.54
CC1=CC(C)=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031363	0	34	-1.0	-38.81	297.48	2.95	-35.86
COC1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031364	0	32	-1.0	-42.47	283.91	1.37	-41.10
CC1=CC=C(C)C(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031365	0	34	-1.0	-38.58	296.15	3.00	-35.58
CC(OC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031366	0	32	-1.0	-38.85	292.11	2.63	-36.22
COC1=CC=C(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031367	0	31	-1.0	-41.06	269.85	2.28	-38.78
O=C(CNC(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005031368	0	31	-1.0	-38.94	280.10	-0.46	-39.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)CCC2=C1	REAL250005031369	0	32	-1.0	-39.22	280.87	0.23	-38.99
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC(=S)N1	REAL250005031370	0	27	-1.0	-43.88	272.23	0.45	-43.43
CC(=O)C1=CN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031371	0	30	-1.0	-37.65	269.22	0.92	-36.73
O=C(CN1CSCC1=O)NCC1=NC(=O)O[N-]1	REAL250005031372	0	26	-1.0	-41.76	250.03	-0.90	-42.66
CC(OC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031373	0	31	-1.0	-37.00	277.73	2.29	-34.71
O=C(CC1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005031374	0	33	-1.0	-39.05	291.87	3.99	-35.06
CSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031375	0	28	-1.0	-36.30	261.17	2.06	-34.24
CC(C)(C)C(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031376	0	33	-1.0	-37.41	283.14	-1.53	-38.94
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=C(F)C=C21	REAL250005031377	0	30	-1.0	-37.04	276.62	2.19	-34.85
CC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005031378	0	26	-1.0	-36.20	257.80	0.66	-35.54
CC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005031379	0	31	-1.0	-38.39	294.04	-0.67	-39.06
O=C(CNC(=O)C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005031380	0	28	-1.0	-38.30	272.24	-1.46	-39.76
O=C(CNC(=O)C1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005031381	0	31	-1.0	-39.13	286.51	-0.39	-39.52
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005031382	0	27	-1.0	-37.52	247.82	1.76	-35.76
CC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005031383	0	26	-1.0	-40.52	251.19	-0.41	-40.93
O=C(CSC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031384	0	28	-1.0	-36.39	270.67	2.26	-34.13
COC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005031385	0	34	-1.0	-38.74	303.97	0.78	-37.96
O=C(NCC1=NC(=O)O[N-]1)C1=CSC2=C1CCCC2	REAL250005031386	0	31	-1.0	-37.34	272.09	2.61	-34.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCC(=O)NC2=C1	REAL250005031387	0	30	-1.0	-38.27	271.83	-1.73	-40.00
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL250005031388	0	34	-1.0	-39.01	290.77	2.68	-36.33
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031389	0	31	-1.0	-41.85	278.98	0.89	-40.96
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2N=C1	REAL250005031390	0	28	-1.0	-40.38	259.64	-0.47	-40.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1Cl	REAL250005031391	0	24	-1.0	-34.73	240.05	1.62	-33.11
O=C(CCC1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005031392	0	27	-1.0	-35.88	257.37	1.63	-34.25
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005031393	0	28	-1.0	-36.87	256.74	0.44	-36.43
O=C(CNC(=O)C1CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005031394	0	37	-1.0	-37.18	305.88	-0.21	-37.39
O=C(CNC(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031395	0	31	-1.0	-37.32	286.49	-0.39	-37.71
O=C(CNC(=O)C1=CC=CO1)NCC1=NC(=O)O[N-]1	REAL250005031396	0	28	-1.0	-39.35	264.32	-2.46	-41.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=N2)C=C1	REAL250005031397	0	31	-1.0	-39.07	279.40	2.26	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C2=CC=CC=C2C=C1	REAL250005031398	0	31	-1.0	-39.94	274.90	1.93	-38.01
O=C(CCC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031399	0	30	-1.0	-35.85	283.88	3.06	-32.79
N#CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031400	0	31	-1.0	-38.34	288.00	2.93	-35.41
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL250005031401	0	27	-1.0	-36.78	252.39	1.56	-35.22
NC(=O)NCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031402	0	32	-1.0	-44.31	282.46	-4.15	-48.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC=C2)=C1	REAL250005031403	0	32	-1.0	-38.07	281.98	3.82	-34.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCCOC2=C1	REAL250005031404	0	33	-1.0	-38.10	283.92	0.99	-37.11
COC1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL250005031405	0	34	-1.0	-38.86	296.63	2.62	-36.24
NC(=O)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031406	0	32	-1.0	-44.15	289.11	-1.54	-45.69
O=C(CCN1CCSC1=O)NCC1=NC(=O)O[N-]1	REAL250005031407	0	29	-1.0	-43.73	270.65	-0.53	-44.26
O=C(CC1=CC=C(OC(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031408	0	31	-1.0	-40.36	285.00	1.31	-39.05
CC1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N=C1C	REAL250005031409	0	34	-1.0	-40.78	295.93	0.61	-40.17
O=C(CN1CCCCCC1=O)NCC1=NC(=O)O[N-]1	REAL250005031410	0	34	-1.0	-42.81	282.44	0.81	-42.00
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1O	REAL250005031411	0	29	-1.0	-40.42	259.16	-0.65	-41.07
CCC(OC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031412	0	34	-1.0	-37.86	286.38	2.84	-35.02
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005031413	0	29	-1.0	-44.82	268.03	3.58	-41.24
CCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005031414	0	36	-1.0	-36.40	304.69	3.62	-32.78
CC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031415	0	33	-1.0	-36.37	288.55	3.20	-33.17
O=C(COC1=CC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005031416	0	28	-1.0	-41.91	260.89	1.68	-40.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC=NC2=C1	REAL250005031417	0	27	-1.0	-43.08	246.74	0.68	-42.40
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL250005031418	0	35	-1.0	-40.67	304.50	0.93	-39.74
CSC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031419	0	28	-1.0	-39.24	273.80	2.58	-36.66
CC1=CC(Cl)=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031420	0	31	-1.0	-37.32	291.47	2.84	-34.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL250005031421	0	26	-1.0	-40.45	262.15	3.25	-37.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1O	REAL250005031422	0	25	-1.0	-38.25	246.69	0.11	-38.14
O=C(CC1=CC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005031423	0	27	-1.0	-39.25	251.17	1.77	-37.48
COC1=CC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031424	0	34	-1.0	-40.96	294.32	3.89	-37.07
CC1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031425	0	31	-1.0	-38.66	274.74	2.33	-36.33
CC(C)OCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031426	0	37	-1.0	-37.82	318.31	2.50	-35.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)S1	REAL250005031427	0	21	-1.0	-34.78	230.28	0.67	-34.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1	REAL250005031428	0	30	-1.0	-38.18	267.19	3.32	-34.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL250005031429	0	27	-1.0	-37.13	247.15	-0.27	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)O1	REAL250005031430	0	21	-1.0	-36.19	227.04	-0.22	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)N=C1	REAL250005031431	0	23	-1.0	-35.83	232.98	-0.30	-36.13
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(Br)=C1	REAL250005031432	0	23	-1.0	-34.70	237.44	-0.10	-34.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL250005031433	0	26	-1.0	-34.36	261.82	2.23	-32.13
CC1=CC(C)=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005031434	0	37	-1.0	-38.46	317.87	3.74	-34.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1	REAL250005031435	0	28	-1.0	-36.74	254.88	0.99	-35.75
CC1=C(C)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031436	0	27	-1.0	-37.42	254.75	1.45	-35.97
CCC1=C(C)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031437	0	30	-1.0	-37.22	273.96	2.12	-35.10
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=CC=C2O1	REAL250005031438	0	30	-1.0	-38.48	268.80	1.16	-37.32
CC1=CC(C)=NC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=NN21	REAL250005031439	0	31	-1.0	-51.19	285.23	2.37	-48.82
CC(C)(C)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031440	0	42	-1.0	-35.67	309.16	3.14	-32.53
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL250005031441	0	29	-1.0	-36.47	259.41	2.24	-34.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2C=C1	REAL250005031442	0	28	-1.0	-40.46	257.14	-0.50	-40.96
O=C(COC1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL250005031443	0	30	-1.0	-39.86	282.87	2.29	-37.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1F	REAL250005031444	0	24	-1.0	-38.37	232.09	1.19	-37.18
O=C(CCNC(=O)C1=CSC=C1)NCC1=NC(=O)O[N-]1	REAL250005031445	0	31	-1.0	-44.05	293.56	-0.91	-44.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2S1	REAL250005031446	0	27	-1.0	-36.39	266.62	2.52	-33.87
CC1=NC(C)=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005031447	0	35	-1.0	-45.16	305.77	-0.24	-45.40
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL250005031448	0	27	-1.0	-34.24	252.04	1.93	-32.31
CN1C=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031449	0	25	-1.0	-37.22	243.43	1.01	-36.21
O=C(NCC1=NC(=O)O[N-]1)C1=NNC(=O)C2=CC=CC=C21	REAL250005031450	0	29	-1.0	-38.29	264.66	-1.08	-39.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL250005031451	0	26	-1.0	-45.84	247.81	2.39	-43.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250005031452	0	26	-1.0	-37.96	249.32	1.71	-36.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL250005031453	0	24	-1.0	-37.65	237.39	1.67	-35.98
CC(=O)C1=CNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031454	0	27	-1.0	-43.86	251.18	-0.73	-44.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1F	REAL250005031455	0	24	-1.0	-37.90	242.41	1.64	-36.26
CCCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031456	0	36	-1.0	-36.82	307.01	4.05	-32.77
CSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031457	0	28	-1.0	-39.41	256.84	2.05	-37.36
CC(C)C1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031458	0	37	-1.0	-38.91	313.28	3.59	-35.32
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005031459	0	33	-1.0	-37.80	284.17	2.93	-34.87
CC1=CC=CC(C)=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031460	0	34	-1.0	-38.53	296.42	3.08	-35.45
O=C(CCNC(=O)C1=CC=CO1)NCC1=NC(=O)O[N-]1	REAL250005031461	0	31	-1.0	-43.14	286.46	-1.81	-44.95
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=C(F)C=CC=C12	REAL250005031462	0	30	-1.0	-43.19	276.55	2.18	-41.01
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=CC2=NN1	REAL250005031463	0	27	-1.0	-37.71	248.18	-0.25	-37.96
O=C(NCC1=NC(=O)O[N-]1)C1=NNC2=CC=CC=C21	REAL250005031463	1	27	-1.0	-41.63	249.99	-0.29	-41.92
O=C(CCC(=O)N1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005031464	0	35	-1.0	-39.55	295.72	-1.35	-40.90
O=C(CNC(=O)CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005031465	0	34	-1.0	-39.29	304.71	0.22	-39.07
COCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005031466	0	28	-1.0	-39.53	260.93	-1.06	-40.59
O=C(CN1C(=O)OC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005031467	0	30	-1.0	-44.84	279.21	1.62	-43.22
O=C(COC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031468	0	28	-1.0	-37.73	261.08	1.68	-36.05
CC1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C1	REAL250005031469	0	34	-1.0	-36.94	297.69	3.27	-33.67
CCN1N=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005031470	0	32	-1.0	-39.17	286.85	0.38	-38.79
CC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005031471	0	33	-1.0	-37.16	275.39	-1.22	-38.38
CC(SC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031472	0	31	-1.0	-37.23	287.46	2.89	-34.34
COC1=CC=C(Cl)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005031473	0	31	-1.0	-38.39	290.79	1.60	-36.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=CC=C2S1	REAL250005031474	0	27	-1.0	-38.87	266.60	2.51	-36.36
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C(C)C	REAL250005031475	0	37	-1.0	-41.02	298.37	2.78	-38.24
CCOC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031476	0	38	-1.0	-39.50	316.60	0.89	-38.61
CC1=CC=CC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CN21	REAL250005031477	0	30	-1.0	-45.91	272.17	2.02	-43.89
CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005031478	0	34	-1.0	-39.05	293.07	2.83	-36.22
CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL250005031479	0	35	-1.0	-37.87	301.60	1.17	-36.70
CNC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005031480	0	31	-1.0	-38.48	281.34	0.75	-37.73
CCCC1=C(C)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031481	0	33	-1.0	-37.10	296.45	2.92	-34.18
O=C(CN1C(=O)CNC1=O)NCC1=NC(=O)O[N-]1	REAL250005031482	0	26	-1.0	-45.28	246.12	-3.75	-49.03
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CC=CC2=N1	REAL250005031483	0	27	-1.0	-46.18	251.58	1.52	-44.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NN=N2)C=C1	REAL250005031484	0	29	-1.0	-42.59	269.27	1.24	-41.35
COC1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031485	0	34	-1.0	-38.27	295.47	1.89	-36.38
CCCC1=NNC(=S)N1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005031486	0	33	-1.0	-44.40	305.77	2.47	-41.93
O=C(NCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C1	REAL250005031487	0	27	-1.0	-43.62	249.16	-3.35	-46.97
CC1=CC2=CC=CC=C2N1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005031488	0	34	-1.0	-39.90	297.99	3.64	-36.26
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2SC=CN2C1=O	REAL250005031489	0	26	-1.0	-50.56	254.69	0.34	-50.22
CCCC1=C(CC)C=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005031490	0	36	-1.0	-36.81	316.13	3.65	-33.16
CC1=C(C)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1	REAL250005031491	0	34	-1.0	-40.25	294.65	2.31	-37.94
CC1=NC2=CC=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031493	0	32	-1.0	-37.35	278.90	2.04	-35.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCC2)S1	REAL250005031494	0	34	-1.0	-37.29	294.18	3.27	-34.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=C1	REAL250005031495	0	30	-1.0	-38.74	265.59	0.21	-38.53
O=C(CSCC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031496	0	31	-1.0	-38.40	296.58	3.17	-35.23
CC1=CC=CC(CSCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031497	0	34	-1.0	-38.39	311.58	3.77	-34.62
O=C(CCCC1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005031498	0	30	-1.0	-37.40	278.87	2.41	-34.99
O=C(COC1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005031499	0	34	-1.0	-40.35	300.68	3.89	-36.46
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031500	0	37	-1.0	-36.25	315.38	2.87	-33.38
CC(C)(OC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031501	0	34	-1.0	-36.28	287.41	2.57	-33.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCCC2=C1	REAL250005031502	0	31	-1.0	-37.60	266.66	2.96	-34.64
CC(C)COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031503	0	37	-1.0	-37.99	314.06	2.76	-35.23
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCCC2)C1	REAL250005031504	0	38	-1.0	-39.06	309.10	1.39	-37.67
NC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031505	0	33	-1.0	-41.56	296.24	-2.73	-44.29
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031506	0	30	-1.0	-43.63	281.78	-1.41	-45.04
CSCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031507	0	31	-1.0	-37.91	287.24	2.94	-34.97
CC(NC(=O)C1=CC=CO1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031508	0	31	-1.0	-38.90	283.88	-1.61	-40.51
CC(C)OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031509	0	34	-1.0	-37.13	290.28	1.91	-35.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2O1	REAL250005031510	0	27	-1.0	-39.45	252.35	1.45	-38.00
CCCCC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031511	0	42	-1.0	-36.02	322.45	3.95	-32.07
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(CC(O)(C3)C1)C2	REAL250005031512	0	39	-1.0	-38.41	296.66	-0.37	-38.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1	REAL250005031513	0	24	-1.0	-34.11	233.95	1.18	-32.93
COC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005031514	0	31	-1.0	-39.37	274.07	1.09	-38.28
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005031515	0	29	-1.0	-37.82	267.95	2.34	-35.48
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1C	REAL250005031516	0	35	-1.0	-36.03	298.75	0.47	-35.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1O	REAL250005031517	0	25	-1.0	-36.29	246.68	0.11	-36.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(O)C(Cl)=C1	REAL250005031518	1	25	-1.0	-36.37	248.11	-1.24	-37.61
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031519	0	34	-1.0	-37.50	296.65	1.84	-35.66
CC1=CSC(=O)N1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031520	0	30	-1.0	-41.29	279.60	0.23	-41.06
O=C(CCN1C=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005031521	0	34	-1.0	-37.53	299.96	3.73	-33.80
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=C1C(=O)CCC2	REAL250005031522	0	34	-1.0	-41.61	289.95	1.06	-40.55
CC(C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031523	0	36	-1.0	-36.78	302.24	3.73	-33.05
COCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031524	0	31	-1.0	-37.84	276.19	0.78	-37.06
O=C(CN1C=CC=CC1=O)NCC1=NC(=O)O[N-]1	REAL250005031525	0	27	-1.0	-46.54	249.92	0.34	-46.20
COC1=CC=C(OC)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031526	0	32	-1.0	-43.04	277.90	0.89	-42.15
CC(C)(C)OC(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031527	0	37	-1.0	-40.69	312.25	-1.52	-42.21
CC(C)CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031528	0	39	-1.0	-36.93	326.95	4.41	-32.52
CC1=CC=NN1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031529	0	34	-1.0	-38.60	298.34	2.65	-35.95
O=C(CC1CCS(=O)(=O)C1)NCC1=NC(=O)O[N-]1	REAL250005031530	0	30	-1.0	-43.28	268.04	-2.61	-45.89
CC(C)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031531	0	37	-1.0	-36.26	313.99	2.77	-33.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])S1	REAL250005031532	0	23	-1.0	-35.97	243.12	0.88	-35.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL250005031533	0	24	-1.0	-37.98	233.66	1.56	-36.42
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COC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031535	0	31	-1.0	-39.25	275.26	1.03	-38.22
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COCCN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005031708	0	35	-1.0	-39.70	303.48	-1.30	-41.00
CC(C)C(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031709	0	40	-1.0	-40.04	322.00	1.43	-38.61
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CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031711	0	37	-1.0	-36.33	309.68	-1.24	-37.57
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CC1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL250005031713	0	31	-1.0	-36.71	276.25	1.65	-35.06
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CC(OC1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031715	0	31	-1.0	-41.34	277.53	2.30	-39.04
CN1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005031716	0	31	-1.0	-40.85	263.86	-0.74	-41.59
CCS(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031717	0	28	-1.0	-43.46	263.70	-4.88	-48.34
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C=CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031719	0	32	-1.0	-36.57	285.29	1.87	-34.70
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CN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005031721	0	27	-1.0	-42.53	246.30	-0.15	-42.68
CC(C)(C)C(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031722	0	40	-1.0	-46.18	315.94	1.60	-44.58
CC1=C(C)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2N1	REAL250005031723	0	34	-1.0	-38.94	291.63	2.42	-36.52
NC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031724	0	28	-1.0	-45.08	255.63	-2.16	-47.24
NC(=O)COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031725	0	32	-1.0	-48.78	289.19	-1.54	-50.32
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COC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031727	0	32	-1.0	-40.03	288.21	-0.72	-40.75
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CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1Cl	REAL250005031729	0	25	-1.0	-34.13	259.31	1.33	-32.80
CC(C)CN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005031730	0	37	-1.0	-38.76	307.07	0.92	-37.84
O=C(NCC1=NC(=O)O[N-]1)C1=NNC2=C1CCCC2	REAL250005031731	0	31	-1.0	-41.79	265.28	-0.12	-41.91
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCC2=NN1	REAL250005031731	1	31	-1.0	-36.29	264.16	-0.07	-36.36
O=C(COC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL250005031732	0	30	-1.0	-42.80	282.88	2.29	-40.51
O=C(NCC1=NC(=O)O[N-]1)C1=COC(Br)=C1	REAL250005031733	0	21	-1.0	-35.14	226.20	-0.25	-35.39
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O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCC2=C1	REAL250005031735	0	29	-1.0	-37.70	257.02	0.90	-36.80
CC(OC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031736	0	31	-1.0	-39.57	287.33	2.76	-36.81
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL250005031737	0	27	-1.0	-47.83	248.73	-2.59	-50.42
CN(C)C(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031738	0	39	-1.0	-42.50	309.65	0.31	-42.19
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CC(OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031740	0	34	-1.0	-39.18	300.01	2.82	-36.36
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O=C(CC1=CC=C(N2C=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL250005031743	0	35	-1.0	-38.71	306.64	4.51	-34.20
COC1=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC=C1	REAL250005031744	0	31	-1.0	-43.13	281.86	0.72	-42.41
CCCCCCOCC(=O)NCC1=NC(=O)O[N-]1	REAL250005031745	0	36	-1.0	-37.61	306.31	2.21	-35.40
O=C(CCCNC(=O)C1CC1)NCC1=NC(=O)O[N-]1	REAL250005031746	0	34	-1.0	-40.87	298.85	-0.55	-41.42
CCN1N=C(C(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031747	0	36	-1.0	-35.55	305.57	1.48	-34.07
CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=CS1	REAL250005031748	0	31	-1.0	-44.70	286.71	0.43	-44.27
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O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=N2)O1	REAL250005031750	0	31	-1.0	-40.77	289.64	0.89	-39.88
COCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031751	0	31	-1.0	-36.65	269.00	0.96	-35.69
CC(C)(C)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005031752	0	37	-1.0	-38.43	302.21	0.70	-37.73
O=C(CN1CCCCC1=O)NCC1=NC(=O)O[N-]1	REAL250005031753	0	31	-1.0	-42.88	266.23	0.04	-42.84
O=C(CN1CCCNC1=O)NCC1=NC(=O)O[N-]1	REAL250005031754	0	30	-1.0	-45.29	260.99	-2.08	-47.37
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC=C2C1=O	REAL250005031755	0	30	-1.0	-56.28	270.14	1.17	-55.11
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C#N	REAL250005031756	0	27	-1.0	-38.15	258.54	0.18	-37.97
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CC1=CC(C)=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL250005031828	0	37	-1.0	-38.40	314.95	4.07	-34.33
CCC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031829	0	34	-1.0	-47.47	297.79	0.75	-46.72
CCC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031830	0	37	-1.0	-45.10	302.84	0.88	-44.22
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O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CN=CO2)C=C1	REAL250005031838	0	30	-1.0	-39.30	275.41	-0.56	-39.86
CC(C)SC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031839	0	34	-1.0	-35.89	298.90	3.44	-32.45
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NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(F)C=C1[N+](=O)[O-]	REAL250005031843	0	28	-1.0	-33.46	261.92	0.19	-33.27
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005031844	0	27	-1.0	-52.86	244.75	-1.16	-54.02
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CC(C)CC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005031846	0	42	-1.0	-37.07	337.71	1.09	-35.98
CC(CC(=O)NCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005031847	0	38	-1.0	-35.37	292.96	2.33	-33.04
CN1N=C(C(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031848	0	36	-1.0	-35.59	303.60	1.25	-34.34
COC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031849	0	32	-1.0	-40.80	284.16	0.91	-39.89
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1C	REAL250005031850	0	31	-1.0	-39.28	266.98	0.84	-38.44
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CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1	REAL250005031852	0	34	-1.0	-38.22	290.09	1.50	-36.72
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CCC1=NOC(CCCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031854	0	34	-1.0	-41.46	301.70	-0.48	-41.94
CCCC1=NOC(CCCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031855	0	37	-1.0	-41.24	323.20	0.29	-40.95
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O=C(CCC1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005031861	0	36	-1.0	-37.70	313.26	4.79	-32.91
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CC(C)S(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005031863	0	29	-1.0	-47.83	265.96	-2.75	-50.58
CC(C)C(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031864	0	40	-1.0	-47.03	316.85	2.58	-44.45
CCCC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005031865	0	40	-1.0	-42.52	323.98	1.64	-40.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=NC=CN=C12	REAL250005031866	0	28	-1.0	-41.21	261.56	-0.01	-41.22
CCOC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031867	0	31	-1.0	-38.35	272.46	1.27	-37.08
CN1C=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005031868	0	30	-1.0	-39.63	269.96	0.32	-39.31
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CCN(CC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005031951	0	37	-1.0	-39.09	313.24	2.77	-36.32
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCOCC1	REAL250005031952	0	33	-1.0	-36.80	264.10	-3.21	-40.01
CC(OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031953	0	34	-1.0	-39.18	300.01	2.82	-36.36
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031954	0	37	-1.0	-36.30	309.68	-1.24	-37.54
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CN1C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005031963	0	31	-1.0	-39.18	278.60	-0.10	-39.28
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CC(C)CCOC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031965	0	36	-1.0	-37.16	300.67	1.86	-35.30
CC(C)OC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031966	0	37	-1.0	-39.16	315.04	2.58	-36.58
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CC(OCC1CCCO1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031968	0	35	-1.0	-41.60	297.18	0.25	-41.35
CC(C)CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005031969	0	32	-1.0	-40.51	290.04	0.76	-39.75
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CC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005031971	0	26	-1.0	-36.57	254.76	-1.08	-37.65
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CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C(C)(C)C)=N1	REAL250005031973	0	35	-1.0	-36.21	307.36	1.35	-34.86
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CC1=NN=C2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN12	REAL250005031975	0	29	-1.0	-39.14	263.96	2.16	-36.98
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CC1=CN(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL250005031977	0	34	-1.0	-40.17	300.82	3.88	-36.29
CCC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005031978	0	29	-1.0	-36.26	268.73	0.28	-35.98
CC(OCC1CCCCO1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031979	0	38	-1.0	-40.57	314.50	1.12	-39.45
CC1=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC=C1	REAL250005031980	0	30	-1.0	-39.64	273.77	2.11	-37.53
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1CC1	REAL250005031981	0	31	-1.0	-39.69	271.42	0.68	-39.01
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CN(C)C1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031983	0	31	-1.0	-41.04	270.15	-0.25	-41.29
CC1=NN(C)C(C)=C1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031984	0	36	-1.0	-40.97	295.22	0.85	-40.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2COCC2=C1	REAL250005031985	0	29	-1.0	-36.91	257.11	0.35	-36.56
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=NN=C2C=C1	REAL250005031986	0	26	-1.0	-39.20	242.10	2.33	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCCO2	REAL250005031987	0	30	-1.0	-41.04	263.35	1.33	-39.71
COC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005031988	0	37	-1.0	-39.03	318.15	2.62	-36.41
CC(CC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031989	0	33	-1.0	-35.81	288.92	3.07	-32.74
CC(CC1=CC=CC(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005031990	0	33	-1.0	-36.14	288.93	3.07	-33.07
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1CCCC1=O	REAL250005031991	0	37	-1.0	-45.17	300.02	3.23	-41.94
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)OC1(C)C	REAL250005031992	0	31	-1.0	-48.65	271.74	1.15	-47.50
COC1=CC(Cl)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031993	0	28	-1.0	-37.91	265.16	2.13	-35.78
CC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005031994	0	29	-1.0	-41.27	265.39	2.40	-38.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=NC=N2)=C1	REAL250005031995	0	29	-1.0	-39.55	271.83	2.92	-36.63
CCN1C(C)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005031996	0	34	-1.0	-41.15	288.12	2.50	-38.65
CC(C)C1=NC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031997	0	31	-1.0	-36.90	289.45	0.81	-36.09
CN1C=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005031998	0	26	-1.0	-40.03	246.67	-1.32	-41.35
O=C(CCCOCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005031999	0	37	-1.0	-39.26	322.67	2.60	-36.66
CCCN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032000	0	38	-1.0	-38.42	315.71	3.16	-35.26
CC1=NC([N+](=O)[O-])=CN1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032001	0	29	-1.0	-44.97	277.76	2.24	-42.73
CC1=NOC(Cl)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032003	0	26	-1.0	-37.16	258.51	0.31	-36.85
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005032004	0	39	-1.0	-35.22	300.43	3.11	-32.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=N1	REAL250005032005	0	23	-1.0	-41.11	235.21	-0.24	-41.35
CCC(NC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032006	0	35	-1.0	-34.75	287.61	1.10	-33.65
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=NNC=N2)=N1	REAL250005032007	0	26	-1.0	-47.36	265.21	-1.04	-48.40
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL250005032008	0	30	-1.0	-36.72	276.58	1.79	-34.93
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C2=CC=CC=C2)=N1	REAL250005032009	0	34	-1.0	-37.00	300.91	2.10	-34.90
CC1=CC=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032010	0	29	-1.0	-37.33	263.07	1.56	-35.77
CCCN(CCC)C(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032011	0	42	-1.0	-39.06	347.89	2.46	-36.60
CC(OC1=CC=C(F)C(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032012	0	31	-1.0	-37.24	284.80	2.32	-34.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=NC=C1	REAL250005032013	0	34	-1.0	-37.13	298.46	2.38	-34.75
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC1	REAL250005032014	0	24	-1.0	-36.56	232.55	0.44	-36.12
CCN1N=C(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032015	0	30	-1.0	-35.80	265.07	0.23	-35.57
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC2=CC=CC=C21	REAL250005032016	0	37	-1.0	-37.08	292.79	3.86	-33.22
NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL250005032017	0	25	-1.0	-36.19	248.35	-1.54	-37.73
O=C(CCNC(=O)C1CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005032018	0	40	-1.0	-42.63	328.01	0.44	-42.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NN=C2)C=C1	REAL250005032019	0	30	-1.0	-41.53	271.89	4.02	-37.51
CC1=CC([N+](=O)[O-])=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032020	0	29	-1.0	-34.57	265.36	2.40	-32.17
CCN(CC)C(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032021	0	39	-1.0	-45.01	326.39	1.72	-43.29
O=C(CNC(=O)CC1CCCC1)NCC1=NC(=O)O[N-]1	REAL250005032022	0	37	-1.0	-37.54	307.90	-0.15	-37.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1CC1	REAL250005032023	0	35	-1.0	-41.64	301.98	4.11	-37.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1F	REAL250005032024	0	24	-1.0	-39.36	231.98	1.19	-38.17
O=C(CCC1=CC=CC(F)=C1F)NCC1=NC(=O)O[N-]1	REAL250005032025	0	30	-1.0	-39.69	278.90	2.62	-37.07
CC1CCCC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032026	0	36	-1.0	-35.56	286.42	2.61	-32.95
COC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032027	0	35	-1.0	-39.49	303.53	2.26	-37.23
CC(C)C1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032028	0	34	-1.0	-38.94	290.10	1.50	-37.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)C=C1	REAL250005032029	0	27	-1.0	-36.94	253.27	1.92	-35.02
CN1C=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005032030	0	31	-1.0	-43.02	272.64	2.78	-40.24
CC(C)(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005032031	0	32	-1.0	-40.73	290.40	0.59	-40.14
CC(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005032032	0	29	-1.0	-40.38	271.45	0.07	-40.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)N=N1	REAL250005032033	0	34	-1.0	-41.63	292.46	-0.30	-41.93
N#CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032034	0	28	-1.0	-38.30	266.60	2.12	-36.18
CC1=CC2=CNN=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032035	0	30	-1.0	-49.14	269.01	0.50	-48.64
O=C(CCC1CCCC1)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032036	0	40	-1.0	-37.49	331.32	0.65	-36.84
CC1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032037	0	34	-1.0	-38.21	300.19	2.81	-35.40
CC1=NC=CN1CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032038	0	33	-1.0	-42.11	288.87	1.90	-40.21
CC(C)(C)C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005032039	0	35	-1.0	-39.27	312.49	1.22	-38.05
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL250005032040	0	33	-1.0	-38.13	285.63	2.99	-35.14
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032041	0	31	-1.0	-36.52	275.55	3.04	-33.48
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL250005032042	0	26	-1.0	-34.97	258.38	1.41	-33.56
O=C(CC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005032043	0	27	-1.0	-37.07	262.48	2.24	-34.83
CCC1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032044	0	31	-1.0	-39.06	272.85	1.03	-38.03
O=C(CNC(=O)CC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL250005032045	0	40	-1.0	-37.50	324.56	0.49	-37.01
CC1=NOC(C)=C1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032046	0	32	-1.0	-38.60	273.73	0.90	-37.70
CC(C)OC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032047	0	37	-1.0	-39.28	313.85	2.64	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)N=N1	REAL250005032048	0	29	-1.0	-43.82	271.69	1.62	-42.20
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NCC1=NC(=O)O[N-]1	REAL250005032049	0	32	-1.0	-39.00	277.75	0.25	-38.75
CCSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032051	0	30	-1.0	-35.99	280.32	1.34	-34.65
CN(C)C(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032052	0	34	-1.0	-39.35	291.82	0.91	-38.44
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2=CC=CC=C21	REAL250005032053	0	32	-1.0	-38.13	274.11	1.62	-36.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CC2)N=C1	REAL250005032054	0	34	-1.0	-36.17	301.77	0.29	-35.88
CCC1=CC=C(C(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032055	0	36	-1.0	-36.72	304.58	3.71	-33.01
CCCCCS(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032056	0	35	-1.0	-48.66	313.22	-1.00	-49.66
CC(C)CCC(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032057	0	36	-1.0	-37.51	305.27	-0.71	-38.22
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CC(C)C)=N1	REAL250005032058	0	35	-1.0	-35.92	308.39	1.73	-34.19
CCSC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005032059	0	33	-1.0	-36.70	281.88	2.19	-34.51
CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032060	0	37	-1.0	-36.33	309.68	-1.24	-37.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=N1	REAL250005032061	0	23	-1.0	-37.19	239.66	-0.07	-37.26
CC1CC(CC(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL250005032062	0	42	-1.0	-35.39	317.72	3.41	-31.98
CCCCCCC(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032063	0	41	-1.0	-35.35	328.18	3.86	-31.49
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL250005032064	0	31	-1.0	-37.84	290.78	3.47	-34.37
COC1=CC=CC=C1C(C)=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032065	0	35	-1.0	-38.82	304.70	2.39	-36.43
CC(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)C1CCCC1	REAL250005032066	0	40	-1.0	-42.01	329.22	0.91	-41.10
CC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032067	0	27	-1.0	-39.44	247.08	1.80	-37.64
O=C(CCN1CCCC1=O)NCC1=NC(=O)O[N-]1	REAL250005032068	0	31	-1.0	-42.67	271.80	-0.20	-42.87
CC1=CC=C(C)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032069	0	33	-1.0	-37.34	283.94	2.88	-34.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)N=C1	REAL250005032070	0	35	-1.0	-37.59	294.87	0.96	-36.63
O=C(CNC(=O)C1=CC=C(O)C=C1)NCC1=NC(=O)O[N-]1	REAL250005032071	0	32	-1.0	-39.45	291.06	-3.30	-42.75
O=C(CSCC1CCCCO1)NCC1=NC(=O)O[N-]1	REAL250005032072	0	35	-1.0	-38.92	304.97	1.23	-37.69
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)F	REAL250005032073	0	27	-1.0	-39.00	248.59	-0.53	-39.53
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(N)C([N+](=O)[O-])=C1	REAL250005032074	0	31	-1.0	-34.97	276.91	0.79	-34.18
COC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032075	0	32	-1.0	-44.75	288.32	-0.72	-45.47
COC1=CC=CC=C1C(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032076	0	37	-1.0	-38.43	308.49	2.35	-36.08
CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL250005032077	0	37	-1.0	-42.06	310.87	0.75	-41.31
CCNC(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032078	0	33	-1.0	-45.14	288.33	-1.31	-46.45
CCCNC(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032079	0	36	-1.0	-45.02	309.83	-0.55	-45.57
CC(C)NC(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032080	0	36	-1.0	-45.16	308.96	-0.51	-45.67
CCN(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032082	0	38	-1.0	-35.78	310.00	1.27	-34.51
CC(C)OC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032083	0	34	-1.0	-41.39	288.23	3.13	-38.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)NC1=O	REAL250005032084	0	34	-1.0	-50.33	286.15	0.67	-49.66
COC1=CC(C)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1O	REAL250005032085	0	32	-1.0	-40.18	280.55	0.01	-40.17
CCCC(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032086	0	40	-1.0	-46.98	319.45	2.84	-44.14
CNC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005032087	0	31	-1.0	-39.62	270.18	-2.04	-41.66
O=C(CCCCCC1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005032088	0	36	-1.0	-37.27	321.87	3.97	-33.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL250005032089	0	26	-1.0	-34.30	255.73	1.78	-32.52
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005032090	0	25	-1.0	-42.17	241.38	0.35	-41.82
CNC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL250005032091	0	28	-1.0	-36.12	268.19	-0.64	-36.76
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CN=C2C=C1	REAL250005032092	0	27	-1.0	-37.85	247.45	1.62	-36.23
CC1=CC=C(C(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032093	0	33	-1.0	-36.93	283.09	2.95	-33.98
CNC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032094	0	30	-1.0	-36.94	274.97	-2.40	-39.34
CC(C)C(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032095	0	39	-1.0	-35.72	309.71	3.80	-31.92
CC(C)COC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032096	0	36	-1.0	-40.24	309.60	1.42	-38.82
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005032097	0	27	-1.0	-37.03	256.55	2.15	-34.88
CN(C)C(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032098	0	34	-1.0	-44.72	293.28	0.90	-43.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCOC2)S1	REAL250005032099	0	29	-1.0	-37.57	267.86	0.26	-37.31
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)C=CS1	REAL250005032100	0	28	-1.0	-37.94	258.87	2.15	-35.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=O)C2=C1	REAL250005032101	0	28	-1.0	-37.15	265.45	-2.07	-39.22
CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1CC1	REAL250005032102	0	31	-1.0	-43.58	274.34	0.32	-43.26
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CCCC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005032121	0	32	-1.0	-36.23	297.75	0.43	-35.80
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CN1CCN(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032123	0	34	-1.0	-36.72	277.84	-3.39	-40.11
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CC(C)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005032128	0	30	-1.0	-35.80	265.49	-0.36	-36.16
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O=C(CC1=CC=CC(OC(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL250005032130	0	31	-1.0	-40.24	285.01	1.31	-38.93
COC(=O)NCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032131	0	31	-1.0	-40.01	278.87	-2.73	-42.74
COC(=O)N(C)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032132	0	34	-1.0	-43.13	298.51	-0.14	-43.27
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CN1C=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005032134	0	27	-1.0	-55.23	243.52	0.13	-55.10
CSC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005032135	0	25	-1.0	-39.90	250.45	1.06	-38.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=C2)C=C1	REAL250005032136	0	35	-1.0	-39.70	309.71	4.61	-35.09
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CO2)S1	REAL250005032137	0	27	-1.0	-38.64	271.32	0.06	-38.58
N#CCN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL250005032138	0	32	-1.0	-40.98	293.56	3.20	-37.78
CC1=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL250005032139	0	34	-1.0	-40.73	291.89	2.16	-38.57
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CN1N=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005032141	0	29	-1.0	-39.58	265.04	-0.49	-40.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCC(=O)N2	REAL250005032142	0	30	-1.0	-41.48	269.79	-0.46	-41.94
CC(=O)C1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032143	0	26	-1.0	-41.95	255.02	0.46	-41.49
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005032144	0	27	-1.0	-34.92	247.80	1.75	-33.17
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=CC=CC=C12	REAL250005032145	0	27	-1.0	-39.32	249.82	1.38	-37.94
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005032146	0	28	-1.0	-37.05	263.04	0.86	-36.19
COC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005032147	0	34	-1.0	-36.18	291.27	-1.53	-37.71
CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005032148	0	34	-1.0	-36.84	292.43	2.02	-34.82
O=C(CN1N=CN2N=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL250005032149	0	29	-1.0	-45.28	274.05	-0.08	-45.36
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CC(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=CC=C1	REAL250005032151	0	35	-1.0	-38.33	302.84	2.86	-35.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2CC2)=N1	REAL250005032152	0	29	-1.0	-39.15	265.74	0.78	-38.37
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)OC=N1	REAL250005032153	0	30	-1.0	-42.20	277.05	-0.56	-42.76
CC(C)COC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032154	0	37	-1.0	-41.23	311.91	3.99	-37.24
CCOC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005032155	0	30	-1.0	-34.57	286.14	-0.75	-35.32
CS(=O)(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032156	0	29	-1.0	-48.99	270.87	-2.93	-51.92
O=C(CC1CCCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005032157	0	37	-1.0	-36.35	300.02	3.95	-32.40
CSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005032158	0	25	-1.0	-36.43	248.60	0.24	-36.19
CC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032159	0	33	-1.0	-35.86	282.51	3.01	-32.85
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL250005032160	0	30	-1.0	-47.71	268.29	-0.46	-48.17
COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032161	0	26	-1.0	-35.83	243.15	-4.25	-40.08
O=C(CCCN1C=CC=CC1=O)NCC1=NC(=O)O[N-]1	REAL250005032162	0	33	-1.0	-47.96	292.45	1.61	-46.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC=N2)=C1	REAL250005032163	0	31	-1.0	-43.77	279.45	2.24	-41.53
O=C(CC1=CC=C(Cl)N=C1)NCC1=NC(=O)O[N-]1	REAL250005032165	0	26	-1.0	-38.55	257.46	0.37	-38.18
COCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032166	0	35	-1.0	-38.60	306.01	0.56	-38.04
CCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC1=O	REAL250005032167	0	29	-1.0	-36.96	265.43	-0.94	-37.90
CC1CCCCC1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032168	0	37	-1.0	-38.05	299.93	2.47	-35.58
O=C(CC1=CC=CC=C1OC(F)F)NCC1=NC(=O)O[N-]1	REAL250005032169	0	31	-1.0	-40.19	283.82	1.37	-38.82
CCC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032170	0	36	-1.0	-35.98	303.41	3.55	-32.43
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=COC=C2)=N1	REAL250005032171	0	27	-1.0	-41.10	271.51	-0.13	-41.23
CC1=CC=CC=C1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032172	0	34	-1.0	-39.35	297.72	3.15	-36.20
COC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005032173	0	34	-1.0	-35.95	287.02	-1.91	-37.86
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=CC=C21	REAL250005032174	0	29	-1.0	-38.87	258.91	0.81	-38.06
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL250005032175	0	30	-1.0	-37.06	266.71	2.29	-34.77
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005032176	0	29	-1.0	-36.82	253.91	-1.20	-38.02
CC(C)(NS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032178	0	31	-1.0	-38.57	267.34	-3.62	-42.19
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=CN1	REAL250005032179	0	27	-1.0	-57.59	245.43	-0.41	-58.00
CCN1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032180	0	33	-1.0	-37.02	274.00	-1.71	-38.73
O=C(CC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL250005032181	0	29	-1.0	-41.08	273.97	2.40	-38.68
CC(C)(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005032182	0	32	-1.0	-38.60	282.93	1.05	-37.55
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005032183	0	31	-1.0	-36.54	266.59	1.04	-35.50
CC1=CC=CC(C)=C1NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032184	0	35	-1.0	-36.35	298.29	1.53	-34.82
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032185	0	29	-1.0	-43.03	266.85	3.40	-39.63
CC(C)C(CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032186	0	45	-1.0	-36.26	338.78	4.22	-32.04
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)N=CO1	REAL250005032187	0	29	-1.0	-40.31	259.62	-2.13	-42.44
CC1=NN(CCCl)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032188	0	33	-1.0	-38.57	307.53	1.24	-37.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)N1	REAL250005032189	0	32	-1.0	-37.65	286.21	2.39	-35.26
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=C(F)C=CC=C1F	REAL250005032190	0	31	-1.0	-37.96	278.05	3.04	-34.92
CC1=NN(C)C=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032191	0	33	-1.0	-39.81	290.11	0.85	-38.96
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CCCO2)OC=N1	REAL250005032192	0	31	-1.0	-41.49	274.64	-3.23	-44.72
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL250005032193	0	33	-1.0	-36.58	286.99	3.03	-33.55
CC1=NC(CCC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005032194	0	29	-1.0	-37.79	273.40	0.26	-37.53
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C	REAL250005032195	0	34	-1.0	-36.50	294.84	3.61	-32.89
O=C(COC1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005032196	0	32	-1.0	-39.00	273.41	-0.67	-39.67
CCCCC(CC)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032197	0	38	-1.0	-35.42	299.27	2.83	-32.59
O=C(CC1CCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005032198	0	34	-1.0	-37.90	283.41	3.49	-34.41
CC1CCCC(OCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032199	0	37	-1.0	-38.26	300.97	2.43	-35.83
CC1=CC=CC=C1C(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032200	0	36	-1.0	-35.90	298.02	3.49	-32.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCC1	REAL250005032201	0	35	-1.0	-41.72	296.88	3.88	-37.84
O=C(NCC1=NC(=O)O[N-]1)C1CSC2=CC=CC=C21	REAL250005032202	0	29	-1.0	-38.30	268.00	2.57	-35.73
O=C(NCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)CC1	REAL250005032203	0	30	-1.0	-43.34	265.09	-2.63	-45.97
CC(C)N1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032204	0	30	-1.0	-42.34	266.75	0.19	-42.15
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005032205	0	27	-1.0	-46.44	268.64	-3.35	-49.79
CC(CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032206	0	39	-1.0	-35.94	303.38	3.30	-32.64
CC1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032207	0	36	-1.0	-35.63	279.39	2.39	-33.24
CC1=NOC(COCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032208	0	29	-1.0	-43.56	271.80	-2.29	-45.85
CC(CC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032209	0	36	-1.0	-35.45	287.26	2.64	-32.81
O=C(CCC1CCCCO1)NCC1=NC(=O)O[N-]1	REAL250005032210	0	34	-1.0	-36.63	281.75	0.66	-35.97
CCC(OC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032211	0	37	-1.0	-36.30	306.29	2.66	-33.64
CC(OC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032212	0	37	-1.0	-37.38	302.47	2.45	-34.93
N#CCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032213	0	32	-1.0	-42.17	296.46	1.74	-40.43
CC(C)C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032214	0	29	-1.0	-36.45	262.30	0.35	-36.10
COC1=CC=C(C(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032215	0	34	-1.0	-37.61	291.17	1.57	-36.04
CCC(SC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032216	0	34	-1.0	-36.73	302.21	3.36	-33.37
CN(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005032217	0	31	-1.0	-37.39	271.01	0.79	-36.60
CC(OC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032218	0	34	-1.0	-37.36	281.58	1.69	-35.67
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C)=C1	REAL250005032219	0	28	-1.0	-42.38	263.18	1.15	-41.23
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CCCCC2)N=C1	REAL250005032220	0	37	-1.0	-38.11	307.96	2.05	-36.06
CC1=CC=CC(Cl)=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032221	0	31	-1.0	-39.56	294.71	3.00	-36.56
CNC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032222	0	31	-1.0	-45.33	277.56	-0.66	-45.99
CC1=C(C)N(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)S1	REAL250005032223	0	33	-1.0	-41.40	297.87	0.91	-40.49
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CC1	REAL250005032224	0	31	-1.0	-36.40	278.29	2.84	-33.56
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC	REAL250005032225	0	32	-1.0	-43.19	277.18	-0.68	-43.87
O=C(NCC1=NC(=O)O[N-]1)C1=C(OC(F)F)C=CS1	REAL250005032226	0	25	-1.0	-40.45	251.15	0.62	-39.83
O=C(CCC1=CC(Cl)=CS1)NCC1=NC(=O)O[N-]1	REAL250005032227	0	27	-1.0	-35.28	274.26	2.14	-33.14
CCC(C(=O)NCC1=NC(=O)O[N-]1)N1CCCC1=O	REAL250005032228	0	34	-1.0	-45.28	284.89	1.74	-43.54
O=C(CC1=CNC2=CC=C(F)C=C12)NCC1=NC(=O)O[N-]1	REAL250005032229	0	31	-1.0	-42.09	284.16	1.85	-40.24
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL250005032230	0	30	-1.0	-35.99	268.08	2.34	-33.65
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(Br)=C1	REAL250005032231	0	22	-1.0	-37.32	230.07	-0.59	-37.91
CC(C)C1=NN(C)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032232	0	33	-1.0	-37.97	307.31	0.96	-37.01
O=C(CC1OCCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005032233	0	35	-1.0	-39.02	294.27	2.64	-36.38
CCC(CC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032234	0	39	-1.0	-35.58	303.08	3.12	-32.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC=N2)=N1	REAL250005032235	0	30	-1.0	-41.06	279.04	1.61	-39.45
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL250005032236	0	27	-1.0	-36.56	253.64	1.46	-35.10
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2F)CC1	REAL250005032237	0	31	-1.0	-39.53	280.45	2.89	-36.64
CCCCCCC(CC)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032239	0	41	-1.0	-35.66	325.24	3.66	-32.00
CC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1C	REAL250005032240	0	34	-1.0	-36.96	293.20	2.19	-34.77
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC(F)=C1	REAL250005032241	0	31	-1.0	-35.61	282.07	1.69	-33.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=N2)=CC=N1	REAL250005032242	0	30	-1.0	-45.64	277.18	0.54	-45.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=N1	REAL250005032243	0	23	-1.0	-37.39	235.09	-0.17	-37.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CO2)S1	REAL250005032244	0	24	-1.0	-38.70	240.74	0.37	-38.33
CC(C(=O)NCC1=NC(=O)O[N-]1)N(C)CC1=CC=CC=C1	REAL250005032245	0	38	-1.0	-37.54	311.40	1.13	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1	REAL250005032246	0	26	-1.0	-34.12	266.05	2.23	-31.89
CC(CC1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032247	0	33	-1.0	-37.94	289.24	3.06	-34.88
CC1=C(Cl)C=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032248	0	31	-1.0	-38.21	288.79	2.76	-35.45
CC1=CC=CC(C(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032249	0	33	-1.0	-36.88	283.09	2.94	-33.94
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032250	0	39	-1.0	-36.30	319.92	4.22	-32.08
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC=C1	REAL250005032251	0	27	-1.0	-36.09	252.75	1.29	-34.80
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CC=C2)=N1	REAL250005032252	0	30	-1.0	-41.21	281.32	-0.50	-41.71
CC1=NC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032253	0	25	-1.0	-36.90	247.95	-0.40	-37.30
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(NC2CC2)=N1	REAL250005032254	0	29	-1.0	-39.49	277.07	-0.24	-39.73
CSC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032256	0	31	-1.0	-37.69	285.51	2.72	-34.97
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN2C=CN=C12	REAL250005032257	0	26	-1.0	-48.31	244.95	0.05	-48.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CC=N2)=C1	REAL250005032258	0	30	-1.0	-40.33	277.02	1.57	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1CC2COCC(C1)C2=O	REAL250005032259	0	34	-1.0	-37.14	273.77	0.73	-36.41
CCCCSCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032260	0	33	-1.0	-35.08	294.93	2.45	-32.63
CC(C)C(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032261	0	39	-1.0	-35.90	313.22	4.56	-31.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CN=C2)=C1	REAL250005032262	0	31	-1.0	-39.77	277.05	3.43	-36.34
CCC1=NC(C)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032263	0	31	-1.0	-35.22	268.18	0.37	-34.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2O1	REAL250005032264	0	27	-1.0	-36.57	258.85	1.51	-35.06
O=C(CCCC1=NC(C2CC2)=NO1)NCC1=NC(=O)O[N-]1	REAL250005032265	0	35	-1.0	-41.95	311.60	0.42	-41.53
CC(OC1=CC=CN=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032266	0	30	-1.0	-38.81	266.35	0.48	-38.33
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005032267	0	30	-1.0	-36.16	270.36	-1.29	-37.45
CC1=NOC(C)=C1CC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032268	0	35	-1.0	-37.07	294.67	1.57	-35.50
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C2C=C1	REAL250005032269	0	32	-1.0	-46.33	281.80	2.45	-43.88
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=CC=CN12	REAL250005032270	0	30	-1.0	-49.11	270.84	2.17	-46.94
CC(CCC1=CC=CC(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032271	0	36	-1.0	-38.02	311.23	3.90	-34.12
O=C(CCCOC1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL250005032272	0	33	-1.0	-40.07	292.00	0.34	-39.73
CCC1=CC=C(C(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032273	0	39	-1.0	-35.84	323.48	4.41	-31.43
CCC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C)C=C1	REAL250005032274	0	39	-1.0	-35.86	321.70	4.29	-31.57
COCC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005032275	0	37	-1.0	-39.34	309.66	-1.23	-40.57
COC1=CC=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032276	0	30	-1.0	-37.32	270.88	0.20	-37.12
CC1=C2NC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL250005032277	0	34	-1.0	-41.20	298.89	2.43	-38.77
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005032278	0	26	-1.0	-39.99	245.61	-3.56	-43.55
CC(C)CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005032279	0	35	-1.0	-42.35	304.33	0.27	-42.08
CCC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032280	0	33	-1.0	-37.18	288.64	3.17	-34.01
CC(C)NC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032281	0	34	-1.0	-36.88	289.86	1.25	-35.63
CCCCCCCCOCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032282	0	42	-1.0	-37.59	349.30	3.78	-33.81
O=C(NCC1=NC(=O)O[N-]1)C1CCCCCCC1	REAL250005032283	0	36	-1.0	-35.46	268.36	2.19	-33.27
CC1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032284	0	27	-1.0	-36.97	248.94	1.78	-35.19
COC(=O)C1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032285	0	36	-1.0	-40.66	301.57	1.93	-38.73
CC1CCC(CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005032286	0	34	-1.0	-37.12	284.91	0.62	-36.50
CC1=C(C)C=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL250005032287	0	33	-1.0	-39.43	290.62	2.65	-36.78
CC(CCC1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032288	0	36	-1.0	-38.71	310.39	3.87	-34.84
COCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005032289	0	27	-1.0	-40.16	255.43	-1.81	-41.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1O	REAL250005032290	0	25	-1.0	-38.77	236.37	-0.34	-39.11
CCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1O	REAL250005032291	0	31	-1.0	-38.82	271.66	1.05	-37.77
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL250005032292	0	30	-1.0	-35.07	273.13	2.36	-32.71
CC(C)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032293	0	34	-1.0	-38.37	291.34	0.40	-37.97
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(F)=C1	REAL250005032294	0	30	-1.0	-38.35	274.39	2.38	-35.97
CCCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005032295	0	29	-1.0	-36.88	272.46	0.46	-36.42
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL250005032296	0	30	-1.0	-35.60	278.41	2.78	-32.82
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC2=CC=CC=C2C1	REAL250005032297	0	37	-1.0	-36.23	298.82	3.72	-32.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCC2)C=C1	REAL250005032298	0	35	-1.0	-37.11	299.00	2.64	-34.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC=C1Cl	REAL250005032299	0	23	-1.0	-35.39	229.02	-0.20	-35.59
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C=CSC2=C1	REAL250005032300	0	26	-1.0	-38.03	252.79	0.48	-37.55
O=C(CCC1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005032301	0	34	-1.0	-36.86	279.07	0.31	-36.55
CC1=CC=C(C(C)C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005032302	0	30	-1.0	-39.13	267.48	1.73	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1CCSC2=CC=CC=C21	REAL250005032303	0	32	-1.0	-37.18	282.68	3.23	-33.95
CCOC1=C(F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032304	0	31	-1.0	-38.59	278.37	2.65	-35.94
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C1=CC=CC=C1	REAL250005032305	0	35	-1.0	-37.67	296.26	3.87	-33.80
CCNC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005032306	0	28	-1.0	-39.51	267.53	-1.06	-40.57
O=C(CCCC1CCCC1)NCC1=NC(=O)O[N-]1	REAL250005032307	0	36	-1.0	-35.71	293.84	2.92	-32.79
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCC1=CC=CC=C12	REAL250005032308	0	35	-1.0	-38.47	293.96	4.14	-34.33
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL250005032309	0	31	-1.0	-42.27	277.04	0.81	-41.46
CC1=NN(C)C(C)=C1CC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032310	0	39	-1.0	-39.09	318.62	1.55	-37.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(F)=C2O1	REAL250005032311	0	27	-1.0	-42.37	258.77	1.50	-40.87
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC(F)=CC=C2O1	REAL250005032312	0	29	-1.0	-37.30	266.79	1.99	-35.31
CCCCCCC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032313	0	38	-1.0	-35.47	309.39	3.16	-32.31
CS(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032314	0	29	-1.0	-45.54	273.31	-0.35	-45.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=NO1	REAL250005032315	0	29	-1.0	-39.02	276.27	0.32	-38.70
CCNC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005032316	0	28	-1.0	-37.71	267.27	-0.95	-38.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1Cl	REAL250005032317	0	24	-1.0	-37.36	239.51	1.61	-35.75
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCCC1=CC=CC=C12	REAL250005032318	0	38	-1.0	-36.62	309.12	4.60	-32.02
CCCCCCC(C)(CCC)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032319	0	47	-1.0	-36.09	361.82	4.83	-31.26
CCCCCC(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032320	0	38	-1.0	-35.41	306.68	3.08	-32.33
CC1=CC2=C(C=C1C)OC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005032321	0	35	-1.0	-39.11	299.48	3.16	-35.95
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005032322	0	27	-1.0	-39.25	247.08	1.80	-37.45
CCC(CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032323	0	42	-1.0	-35.83	321.37	3.95	-31.88
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC(F)=C1F	REAL250005032324	0	31	-1.0	-42.09	285.49	3.16	-38.93
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032325	0	36	-1.0	-36.27	297.12	3.82	-32.45
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC=CC2=CC=C1	REAL250005032326	0	28	-1.0	-38.60	250.24	1.24	-37.36
O=C(CC1=CC(F)=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005032327	0	27	-1.0	-37.61	257.61	1.83	-35.78
N#CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005032328	0	22	-1.0	-36.66	234.87	0.62	-36.04
CCC(OC1=CC=CC(C)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032329	0	37	-1.0	-38.05	308.52	3.49	-34.56
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CNN=C2C1	REAL250005032330	0	31	-1.0	-40.43	265.08	-0.20	-40.63
O=C(NCC1=NC(=O)O[N-]1)C1SCCC2=C1C=CS2	REAL250005032331	0	29	-1.0	-38.54	275.44	2.17	-36.37
CC(C)(OC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032332	0	34	-1.0	-37.35	281.22	2.50	-34.85
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CC(C)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005032429	0	39	-1.0	-36.32	297.81	3.19	-33.13
CCC1=NOC(CC)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032430	0	35	-1.0	-38.76	304.73	2.01	-36.75
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CCCCCC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005032433	0	41	-1.0	-35.70	320.20	3.79	-31.91
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CC1(C)CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032438	0	36	-1.0	-35.16	280.89	2.19	-32.97
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CCC(CC)N1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032441	0	36	-1.0	-35.86	301.81	1.86	-34.00
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O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=NNC=C21	REAL250005032445	0	31	-1.0	-36.80	260.40	-0.01	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=C1C=NN2	REAL250005032445	1	31	-1.0	-41.51	260.42	-0.03	-41.54
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005032446	0	27	-1.0	-37.50	262.31	-0.13	-37.63
CC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005032447	0	27	-1.0	-37.96	252.35	1.83	-36.13
CCCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032448	0	37	-1.0	-38.91	318.61	2.75	-36.16
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CN=C2)N=C1	REAL250005032450	0	30	-1.0	-39.57	277.10	0.43	-39.14
CCC(CC)N1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032451	0	36	-1.0	-42.32	303.87	1.53	-40.79
C=CCNC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005032452	0	29	-1.0	-37.34	280.07	-0.39	-37.73
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005032453	0	30	-1.0	-39.71	280.41	1.74	-37.97
CC(C)OC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005032454	0	33	-1.0	-36.29	290.50	-0.36	-36.65
CNC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032455	0	30	-1.0	-38.57	277.22	-2.36	-40.93
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005032456	0	30	-1.0	-37.82	281.39	2.83	-34.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(O)=CC([N+](=O)[O-])=C1	REAL250005032457	1	27	-1.0	-37.08	260.33	-1.15	-38.23
N#CC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005032458	0	24	-1.0	-37.68	251.71	0.24	-37.44
COC(=O)C1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1	REAL250005032459	0	34	-1.0	-40.86	305.72	0.47	-40.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250005032460	0	24	-1.0	-35.16	243.69	1.62	-33.54
CC1=CC(=O)NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032461	0	27	-1.0	-37.64	241.75	-1.33	-38.97
COC1=CC=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032462	0	28	-1.0	-43.88	260.34	0.30	-43.58
CC1=CC=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032463	0	27	-1.0	-40.58	250.64	1.49	-39.09
CC1CCN(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032464	1	35	-1.0	-36.35	282.44	-0.21	-36.56
CC(C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032465	0	32	-1.0	-41.41	278.47	1.16	-40.25
O=C(CC1=CC=C(F)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005032466	0	27	-1.0	-36.85	266.39	2.23	-34.62
O=C(CC1=CC(F)=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL250005032467	0	27	-1.0	-37.01	263.87	1.89	-35.12
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL250005032468	0	27	-1.0	-34.93	256.54	2.14	-32.79
COC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005032469	0	35	-1.0	-39.31	304.22	1.65	-37.66
O=C(CC1CCSCC1)NCC1=NC(=O)O[N-]1	REAL250005032470	0	31	-1.0	-35.83	265.46	1.68	-34.15
CCC(OC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032471	0	40	-1.0	-36.28	321.88	3.29	-32.99
CCOC(CC(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005032472	0	36	-1.0	-36.76	292.78	1.55	-35.21
COCCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005032473	0	37	-1.0	-37.54	298.21	0.85	-36.69
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL250005032474	0	33	-1.0	-35.72	293.11	3.16	-32.56
CC1=CC=CC=C1C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032475	0	36	-1.0	-36.77	287.89	2.96	-33.81
COC1=CC=CC=C1C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032476	0	37	-1.0	-39.19	301.85	2.86	-36.33
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005032477	0	33	-1.0	-36.20	283.17	2.72	-33.48
CC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032478	0	36	-1.0	-36.97	297.79	3.32	-33.65
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL250005032479	0	33	-1.0	-38.29	284.15	2.94	-35.35
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL250005032480	0	33	-1.0	-38.07	283.18	2.72	-35.35
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL250005032481	0	33	-1.0	-37.25	293.51	3.17	-34.08
COC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032482	0	37	-1.0	-37.66	306.25	1.95	-35.71
CCC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032483	0	39	-1.0	-36.75	319.28	4.08	-32.67
CCCC(O)(CCC)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032484	0	39	-1.0	-38.05	307.06	0.69	-37.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SC=CC2=C1	REAL250005032485	0	27	-1.0	-36.69	257.98	2.40	-34.29
CC(OC1CCCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032486	0	40	-1.0	-37.09	314.10	2.94	-34.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2)S1	REAL250005032487	0	28	-1.0	-37.17	264.93	2.36	-34.81
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C=CC=C1O	REAL250005032488	0	26	-1.0	-41.58	246.32	-4.69	-46.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Cl)=C1	REAL250005032489	0	24	-1.0	-33.89	244.27	1.63	-32.26
O=C(CC1=CN=C2NC=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005032490	0	30	-1.0	-50.66	272.07	1.03	-49.63
COC1=CC=CC(OC)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032491	0	35	-1.0	-41.53	302.06	0.46	-41.07
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL250005032492	0	34	-1.0	-45.78	303.79	2.90	-42.88
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005032493	0	27	-1.0	-40.01	245.98	1.75	-38.26
CC(C)(C)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032494	0	39	-1.0	-37.20	321.95	4.05	-33.15
CC(C)OC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032495	0	33	-1.0	-36.20	285.64	0.13	-36.07
CC1=NN(C)C(C)=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032496	0	34	-1.0	-41.39	303.50	0.59	-40.80
CCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1CC1	REAL250005032497	0	37	-1.0	-39.08	313.41	2.34	-36.74
CN1C=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005032498	0	30	-1.0	-43.41	269.42	2.38	-41.03
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Cl)=CC=C1F	REAL250005032499	0	23	-1.0	-41.55	239.77	-0.17	-41.72
COC(=O)C1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032500	0	33	-1.0	-41.69	300.56	2.38	-39.31
O=C(NCC1=NC(=O)O[N-]1)C1=C([N+](=O)[O-])C=NN1	REAL250005032501	0	23	-1.0	-37.06	226.70	-0.84	-37.90
O=C(NCC1=NC(=O)O[N-]1)C1=NNC=C1[N+](=O)[O-]	REAL250005032501	1	23	-1.0	-45.99	227.73	-0.89	-46.88
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005032502	0	32	-1.0	-37.78	269.24	1.06	-36.72
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC(C)C	REAL250005032504	0	36	-1.0	-39.40	297.69	1.25	-38.15
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005032505	0	28	-1.0	-35.20	267.05	2.10	-33.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL250005032506	0	26	-1.0	-35.57	261.73	2.09	-33.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=S=NC2=C1	REAL250005032507	0	25	-1.0	-37.08	245.22	-0.61	-37.69
O=C(CSCC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL250005032508	0	24	-1.0	-38.25	249.18	0.50	-37.75
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL250005032509	0	32	-1.0	-38.65	271.43	0.82	-37.83
CN(C)CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005032510	0	31	-1.0	-39.23	276.99	-2.04	-41.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCC2)=C1	REAL250005032511	0	34	-1.0	-36.26	296.61	0.29	-35.97
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1F	REAL250005032512	0	30	-1.0	-34.85	268.09	2.39	-32.46
CC(C)N1C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032513	0	31	-1.0	-38.39	266.71	1.91	-36.48
CC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032514	0	27	-1.0	-36.69	253.92	2.25	-34.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2OCCO2)=C1	REAL250005032515	0	33	-1.0	-38.96	288.42	0.69	-38.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(Cl)=C1F	REAL250005032516	0	23	-1.0	-36.13	237.28	-0.21	-36.34
CC(C)[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032517	0	39	-1.0	-35.16	302.81	3.02	-32.14
CN1C(=O)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032518	0	27	-1.0	-37.36	240.28	-0.29	-37.65
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1CCSC1	REAL250005032519	1	33	-1.0	-36.38	275.89	-0.67	-37.05
CCN1C=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032520	0	29	-1.0	-39.80	268.19	-0.46	-40.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2OC1	REAL250005032521	0	30	-1.0	-36.38	273.42	1.62	-34.76
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(F)C=C2C1	REAL250005032522	0	32	-1.0	-35.17	282.15	1.65	-33.52
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005032523	0	27	-1.0	-38.15	252.38	2.14	-36.01
CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005032524	0	36	-1.0	-34.98	273.52	2.24	-32.74
CCC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005032525	0	32	-1.0	-37.43	288.70	2.42	-35.01
CCC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032526	0	39	-1.0	-36.62	311.46	3.83	-32.79
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2CCCO2)=N1	REAL250005032527	0	31	-1.0	-40.62	287.43	-0.96	-41.58
CC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL250005032528	0	34	-1.0	-35.85	272.13	0.08	-35.77
COC(=O)CC(C)(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032529	0	35	-1.0	-39.87	285.10	1.15	-38.72
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2C=C1	REAL250005032530	0	30	-1.0	-43.48	269.88	1.44	-42.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=N2)C=C1	REAL250005032531	0	30	-1.0	-40.30	274.48	0.89	-39.41
C=CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032532	0	34	-1.0	-36.09	295.08	3.55	-32.54
CC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005032533	0	27	-1.0	-42.09	257.70	1.63	-40.46
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(C)(C)C)=N1	REAL250005032534	0	36	-1.0	-37.36	295.11	1.18	-36.18
CC(C)(C)OC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005032535	0	36	-1.0	-36.32	302.52	1.34	-34.98
COC(=O)C1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032536	0	28	-1.0	-37.05	268.96	-1.92	-38.97
CC1(CCC(=O)NCC2=NC(=O)O[N-]2)CCC(=O)N1	REAL250005032537	0	34	-1.0	-41.63	285.96	-1.23	-42.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2C(=O)NN=C12	REAL250005032538	0	27	-1.0	-45.77	251.89	-0.27	-46.04
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=N1	REAL250005032539	0	30	-1.0	-45.24	277.55	2.75	-42.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=CNC2=N1	REAL250005032540	0	26	-1.0	-42.35	243.90	-0.01	-42.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=CN=C2N1	REAL250005032540	1	26	-1.0	-37.39	241.53	0.01	-37.38
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)F)=N1	REAL250005032541	0	27	-1.0	-41.43	255.98	-0.35	-41.78
CC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032542	0	30	-1.0	-36.92	269.76	2.21	-34.71
CC1(C)OCC(C)(C(=O)NCC2=NC(=O)O[N-]2)CO1	REAL250005032543	0	35	-1.0	-40.61	281.58	0.05	-40.56
CSCC1=NOC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032544	0	32	-1.0	-39.26	303.44	-0.82	-40.08
CCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005032545	0	29	-1.0	-42.69	265.26	-1.01	-43.70
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005032546	0	39	-1.0	-35.74	292.54	2.80	-32.94
O=C(NCC1=NC(=O)O[N-]1)C1OCCC2=CC=CC=C21	REAL250005032547	0	32	-1.0	-38.55	272.09	1.32	-37.23
CC1=CC(F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032548	0	27	-1.0	-34.58	243.58	1.80	-32.78
CC(C)OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032549	0	33	-1.0	-39.17	292.51	-0.24	-39.41
CC(C)C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005032550	0	32	-1.0	-36.38	296.90	0.26	-36.12
CC1(CCCC(=O)NCC2=NC(=O)O[N-]2)NC(=O)NC1=O	REAL250005032551	0	35	-1.0	-43.34	301.30	-3.90	-47.24
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=C1C=CS2	REAL250005032552	0	31	-1.0	-37.18	275.68	2.40	-34.78
CC(C)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005032553	0	29	-1.0	-37.02	271.74	0.28	-36.74
CC(=O)C(C)(C)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032554	0	34	-1.0	-42.52	281.89	0.95	-41.57
CCCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005032555	0	36	-1.0	-39.28	306.50	1.70	-37.58
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL250005032556	0	32	-1.0	-40.74	285.57	2.77	-37.97
CC1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL250005032557	0	32	-1.0	-39.67	283.80	2.04	-37.63
CC1=C(CCCC(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005032558	0	33	-1.0	-37.48	297.45	2.97	-34.51
NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005032559	0	25	-1.0	-36.42	243.99	-4.08	-40.50
CCC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032560	0	34	-1.0	-41.89	289.82	0.11	-41.78
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CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(N(C)C)=N1	REAL250005032676	0	31	-1.0	-38.82	281.75	0.58	-38.24
CCOC(=O)C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032677	0	32	-1.0	-39.94	277.69	1.88	-38.06
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC(C)C	REAL250005032678	0	39	-1.0	-39.26	320.54	2.27	-36.99
CC1=C(C)NC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032679	0	29	-1.0	-51.58	261.15	-1.28	-52.86
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O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NN=CN2)=C1	REAL250005032680	1	30	-1.0	-48.00	274.74	2.25	-45.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=COC=C2)=C1	REAL250005032681	0	31	-1.0	-38.96	280.05	2.64	-36.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2CCOC2)=C1	REAL250005032682	0	35	-1.0	-37.63	295.44	1.67	-35.96
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005032683	0	28	-1.0	-41.99	254.96	0.43	-41.56
CC(=O)CCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032684	0	37	-1.0	-40.23	316.32	2.55	-37.68
CC1=CN2C(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2C=C1	REAL250005032685	0	30	-1.0	-41.88	267.97	2.00	-39.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=N1	REAL250005032686	0	23	-1.0	-40.87	239.80	-0.17	-41.04
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COC(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032688	0	36	-1.0	-41.92	295.03	1.78	-40.14
COC(=O)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032689	0	29	-1.0	-37.97	271.06	-0.07	-38.04
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL250005032690	0	33	-1.0	-39.93	295.89	2.88	-37.05
CC1(C)CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032691	0	36	-1.0	-35.25	280.89	2.18	-33.07
COC1=CC=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032692	0	31	-1.0	-36.47	284.86	1.12	-35.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C=C1F	REAL250005032693	0	24	-1.0	-34.98	248.23	1.69	-33.29
CC1=NNC(C)=C1C(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032694	0	36	-1.0	-38.07	294.55	0.31	-37.76
CN1C(=O)OC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005032695	0	30	-1.0	-47.37	274.81	1.48	-45.89
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NNC=C2C1	REAL250005032696	0	31	-1.0	-37.89	265.11	-0.20	-38.09
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CCCO2)S1	REAL250005032697	0	31	-1.0	-39.21	286.82	-0.81	-40.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=CC=CN=C21	REAL250005032698	0	29	-1.0	-43.81	266.61	1.93	-41.88
O=C(CCC1=CN=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005032699	0	29	-1.0	-36.76	268.41	0.82	-35.94
O=C(NCC1=NC(=O)O[N-]1)C1CCC2CCCCC2C1	REAL250005032700	0	40	-1.0	-35.09	308.71	3.63	-31.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(F)=C1	REAL250005032701	0	24	-1.0	-35.32	243.70	1.62	-33.70
O=C(CCCC1=CC(F)=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005032702	0	33	-1.0	-38.09	300.51	3.41	-34.68
COC1=CC=C(CC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032703	0	37	-1.0	-37.05	312.06	2.30	-34.75
N#CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032704	0	28	-1.0	-43.39	263.37	2.22	-41.17
CC(C)(C)SCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032705	0	36	-1.0	-37.36	308.30	2.74	-34.62
CC1=NOC(C)=C1C(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032706	0	35	-1.0	-37.21	292.29	1.56	-35.65
CC(C)(CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032707	0	39	-1.0	-37.06	314.68	3.87	-33.19
CCCCNC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032708	0	38	-1.0	-37.14	315.31	2.58	-34.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CN=N2)=C1	REAL250005032709	0	30	-1.0	-46.20	273.52	0.95	-45.25
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL250005032710	0	36	-1.0	-35.91	277.86	2.23	-33.68
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL250005032711	0	37	-1.0	-39.59	307.16	2.22	-37.37
C=C(C)C(CC(=O)NCC1=NC(=O)O[N-]1)OCC	REAL250005032712	0	34	-1.0	-36.81	293.65	1.51	-35.30
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)C1CC1	REAL250005032713	0	34	-1.0	-36.47	295.27	3.68	-32.79
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1F	REAL250005032714	0	30	-1.0	-39.03	269.02	2.27	-36.76
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005032715	0	36	-1.0	-35.65	307.48	3.38	-32.27
CN1C=C([N+](=O)[O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032716	0	26	-1.0	-46.69	250.54	0.45	-46.24
N#CCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032717	0	32	-1.0	-43.59	296.47	1.74	-41.85
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL250005032718	0	33	-1.0	-39.55	287.73	0.74	-38.81
COC1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032719	0	37	-1.0	-36.53	295.96	1.14	-35.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2N=C1	REAL250005032720	0	29	-1.0	-36.61	268.84	1.50	-35.11
CCC(CC)N1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005032721	0	39	-1.0	-43.20	326.77	2.37	-40.83
CC(CC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032722	0	33	-1.0	-37.08	296.40	3.40	-33.68
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC=C1F	REAL250005032723	0	27	-1.0	-39.56	259.95	1.83	-37.73
COCC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005032724	0	30	-1.0	-37.09	280.91	-1.44	-38.53
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C(=O)NN=C2C=C1	REAL250005032725	0	27	-1.0	-38.04	253.29	-0.57	-38.61
CC(C)(C)S(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032726	0	32	-1.0	-47.16	282.54	-2.26	-49.42
COC1=CC=CC=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032727	0	32	-1.0	-40.21	292.98	1.53	-38.68
CC(CC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032728	0	33	-1.0	-35.63	299.25	3.51	-32.12
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005032729	0	33	-1.0	-35.91	287.65	3.02	-32.89
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL250005032730	0	28	-1.0	-43.08	268.81	-2.28	-45.36
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL250005032731	0	33	-1.0	-40.77	293.17	2.83	-37.94
CC(C)CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005032732	0	37	-1.0	-36.89	310.48	0.42	-36.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(O)C(F)=C1	REAL250005032733	0	25	-1.0	-36.73	238.31	-1.72	-38.45
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005032734	0	36	-1.0	-36.50	275.87	2.14	-34.36
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1CCC(C)CC1	REAL250005032735	0	42	-1.0	-35.69	311.36	3.40	-32.29
CCC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005032736	0	31	-1.0	-38.73	281.68	2.03	-36.70
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1Cl	REAL250005032737	0	27	-1.0	-41.92	264.12	-0.89	-42.81
CC(C)(O)C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032738	0	27	-1.0	-35.62	242.56	-1.80	-37.42
CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005032739	0	30	-1.0	-36.98	276.11	2.20	-34.78
CN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005032741	0	31	-1.0	-41.74	269.86	-0.29	-42.03
CN1CCN(CC(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005032742	0	33	-1.0	-43.85	277.54	-2.87	-46.72
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC=CC2=CC=C1	REAL250005032743	0	27	-1.0	-39.66	255.60	2.40	-37.26
CC1CCN(C(=O)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032744	0	34	-1.0	-37.42	280.50	0.05	-37.37
CC1CCCN(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032745	0	34	-1.0	-37.56	280.50	0.03	-37.53
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2CCOCC2)=N1	REAL250005032746	0	34	-1.0	-39.38	297.01	-2.75	-42.13
CCC1CCCCC1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032747	0	40	-1.0	-37.64	320.08	3.01	-34.63
CC(C)SC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032748	0	34	-1.0	-39.40	294.57	3.44	-35.96
CC(=O)[C@@H]1C[C@H](CC(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005032750	0	38	-1.0	-38.00	308.89	2.34	-35.66
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NN=C1C1=CC=CC=C1	REAL250005032751	0	34	-1.0	-36.88	298.38	1.63	-35.25
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=NN2N=C1	REAL250005032752	0	26	-1.0	-45.28	244.22	-0.93	-46.21
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(C2CC2)=N1	REAL250005032753	0	30	-1.0	-37.41	271.38	-1.18	-38.59
O=C(CC1=CC=C2COCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005032754	0	32	-1.0	-38.53	281.72	1.03	-37.50
CC(CCC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032755	0	38	-1.0	-35.46	300.15	2.51	-32.95
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(F)C=C1	REAL250005032756	0	26	-1.0	-35.15	248.05	0.95	-34.20
CC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1C	REAL250005032757	0	31	-1.0	-39.46	268.28	-0.78	-40.24
CN1N=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL250005032758	0	29	-1.0	-38.66	264.14	-0.37	-39.03
CC1(C)CC(CC(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005032759	0	37	-1.0	-36.03	291.40	0.75	-35.28
CNC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL250005032760	0	31	-1.0	-37.66	275.44	0.92	-36.74
NC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032761	0	27	-1.0	-38.53	255.29	-3.85	-42.38
COC1=CC2=NNN=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032762	0	30	-1.0	-39.90	267.94	-1.10	-41.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NNN=C2C=C1F	REAL250005032763	0	26	-1.0	-38.06	245.41	-1.60	-39.66
CC1=CC(Cl)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005032764	0	30	-1.0	-37.73	272.71	2.79	-34.94
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CCCC2)N=CS1	REAL250005032765	0	33	-1.0	-36.75	289.52	1.46	-35.29
CC1=CC=C(F)C=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032766	0	29	-1.0	-37.20	264.29	1.65	-35.55
CC(C)C1CC(CC(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005032767	0	40	-1.0	-35.73	315.63	1.72	-34.01
CCOC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005032768	0	27	-1.0	-41.04	254.92	-4.39	-45.43
CCC1=NN=C(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032769	0	31	-1.0	-34.73	268.12	0.15	-34.58
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N=N1	REAL250005032770	0	31	-1.0	-34.54	270.17	0.21	-34.33
CC1(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)COC1	REAL250005032771	0	34	-1.0	-45.00	297.23	-1.91	-46.91
NC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005032772	0	25	-1.0	-40.26	242.64	-4.14	-44.40
N#CC1CC2(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005032773	0	32	-1.0	-43.27	280.82	2.15	-41.12
COC1=CC2=C(C=C1C(=O)NCC1=NC(=O)O[N-]1)OCO2	REAL250005032774	0	31	-1.0	-40.80	274.44	0.27	-40.53
CCC1CC(CC(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005032775	0	37	-1.0	-35.91	298.61	1.19	-34.72
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCCC1	REAL250005032776	0	36	-1.0	-35.84	263.67	2.63	-33.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC(Cl)=C1	REAL250005032777	0	24	-1.0	-36.07	242.88	-1.63	-37.70
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL250005032778	0	30	-1.0	-42.33	268.12	0.05	-42.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2N=C1	REAL250005032779	0	27	-1.0	-42.91	252.29	-1.46	-44.37
CC1CC(C)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032780	0	36	-1.0	-36.02	282.06	2.34	-33.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=N1)OCCC2	REAL250005032781	0	31	-1.0	-40.65	272.01	-0.02	-40.67
CCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032782	0	30	-1.0	-39.17	269.19	0.44	-38.73
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=C1	REAL250005032783	0	28	-1.0	-42.57	267.64	1.71	-40.86
CCC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005032784	0	34	-1.0	-35.82	273.86	0.38	-35.44
CC(C)CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032785	0	33	-1.0	-38.93	284.54	1.25	-37.68
CC1=NN(C(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032786	0	36	-1.0	-37.60	304.14	1.41	-36.19
CC(C)OC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032787	0	32	-1.0	-37.09	287.31	-2.19	-39.28
O=C(NCC1=NC(=O)O[N-]1)C1CCCCS1(=O)=O	REAL250005032789	0	30	-1.0	-47.44	266.07	-1.87	-49.31
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005032790	0	34	-1.0	-37.57	299.46	-0.68	-38.25
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NC(=O)C1=CC=CC=C1NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032792	0	33	-1.0	-44.72	287.86	-2.81	-47.53
O=C(NCC1=NC(=O)O[N-]1)C12CC(C3=CC=CC=C3)(C1)C2	REAL250005032793	0	35	-1.0	-36.31	303.45	4.21	-32.10
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCOC2=C1	REAL250005032794	0	29	-1.0	-41.77	259.88	-2.11	-43.88
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CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250005032796	0	32	-1.0	-37.83	289.90	2.93	-34.90
COC1=CC=C2CCC(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL250005032797	0	35	-1.0	-40.09	296.18	2.13	-37.96
COC(=O)C12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)C2	REAL250005032798	0	37	-1.0	-38.88	310.20	2.10	-36.78
CCN1C=C([N+](=O)[O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032799	0	29	-1.0	-46.58	271.84	1.29	-45.29
CC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005032800	0	24	-1.0	-36.99	246.85	1.17	-35.82
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CCCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1CC	REAL250005032803	0	39	-1.0	-39.16	328.83	2.43	-36.73
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=NC=CS1	REAL250005032805	0	23	-1.0	-38.39	240.71	-0.82	-39.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CS1	REAL250005032806	0	21	-1.0	-34.69	230.14	0.56	-34.13
O=C(CC1=CC=C2NC(=O)NC2=C1)NCC1=NC(=O)O[N-]1	REAL250005032807	0	31	-1.0	-41.51	281.53	-1.45	-42.96
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(Cl)S1	REAL250005032808	0	23	-1.0	-39.52	243.72	-0.63	-40.15
CCNC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032809	0	32	-1.0	-36.93	289.03	1.56	-35.37
CCCOC1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032810	0	33	-1.0	-44.74	289.20	1.63	-43.11
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Cl)S1	REAL250005032811	0	23	-1.0	-35.31	250.30	0.55	-34.76
COC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL250005032812	0	34	-1.0	-38.83	283.22	1.55	-37.28
CCC1=NN(C)C(CC)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032813	0	39	-1.0	-40.48	330.62	1.96	-38.52
CC1=CN2C=CN=C(C(=O)NCC3=NC(=O)O[N-]3)C2=N1	REAL250005032814	0	29	-1.0	-48.68	266.87	0.65	-48.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC=C1C(F)(F)F	REAL250005032815	0	26	-1.0	-36.41	246.83	0.29	-36.12
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032817	0	31	-1.0	-36.67	288.03	2.74	-33.93
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1	REAL250005032818	0	31	-1.0	-38.49	272.84	1.02	-37.47
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(Cl)=N1	REAL250005032819	0	22	-1.0	-37.02	230.02	-2.13	-39.15
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL250005032820	0	27	-1.0	-41.70	265.55	0.17	-41.53
CC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005032821	0	34	-1.0	-40.76	288.43	0.78	-39.98
CC(=O)NC1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032822	0	34	-1.0	-39.25	293.03	0.63	-38.62
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Cl)=C1	REAL250005032823	0	21	-1.0	-34.92	229.49	0.60	-34.32
CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005032824	0	33	-1.0	-35.28	294.93	3.39	-31.89
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005032825	0	35	-1.0	-37.76	278.35	3.10	-34.66
O=C(CC1CCC2(CC1)OCCO2)NCC1=NC(=O)O[N-]1	REAL250005032826	0	39	-1.0	-37.78	311.09	0.87	-36.91
COC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032827	0	34	-1.0	-38.70	272.83	0.15	-38.55
CC1C(=O)CCC(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005032828	0	38	-1.0	-37.04	293.02	1.83	-35.21
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CSC=C1	REAL250005032829	0	28	-1.0	-38.53	267.60	0.09	-38.44
CCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL250005032830	0	33	-1.0	-34.70	298.06	3.62	-31.08
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C(F)C1=O	REAL250005032831	0	24	-1.0	-61.42	230.36	-0.92	-62.34
CN1C=C(C2=NNC=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032832	0	31	-1.0	-42.92	281.01	-1.15	-44.07
CN1C=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2)C=N1	REAL250005032832	1	31	-1.0	-43.19	281.73	-1.25	-44.44
CCN1C=C(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032833	0	30	-1.0	-40.80	270.10	0.39	-40.41
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CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032835	0	38	-1.0	-45.78	316.24	1.09	-44.69
CC(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032836	0	30	-1.0	-38.98	266.32	0.19	-38.79
NC(=O)C1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032837	0	34	-1.0	-39.53	276.11	-2.20	-41.73
CCC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032838	0	33	-1.0	-37.01	281.48	2.87	-34.14
O=C(CCCC1=CC=C(O)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005032839	0	34	-1.0	-40.63	305.90	0.54	-40.09
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CC(=O)[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005032841	0	35	-1.0	-42.45	274.28	3.30	-39.15
COC1=CC(C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032842	0	31	-1.0	-41.01	269.84	2.27	-38.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1Cl	REAL250005032843	0	23	-1.0	-34.05	245.89	0.21	-33.84
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2F)CC1	REAL250005032844	0	34	-1.0	-36.90	303.32	3.67	-33.23
CC(=O)CC(C)(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032845	0	34	-1.0	-40.68	274.23	1.23	-39.45
N#CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1O	REAL250005032846	0	26	-1.0	-37.42	252.27	-1.37	-38.79
COC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL250005032847	0	32	-1.0	-42.60	292.60	0.45	-42.15
CC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005032848	0	37	-1.0	-36.60	301.97	3.66	-32.94
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=NN1	REAL250005032849	0	30	-1.0	-35.95	272.80	-0.34	-36.29
O=C(NCC1=NC(=O)O[N-]1)C1=NNN=C1C1=CC=CC=C1	REAL250005032849	1	30	-1.0	-38.23	272.11	-0.38	-38.61
COCCN1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032850	0	31	-1.0	-36.18	276.90	-1.31	-37.49
O=C(CCCCN1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005032851	0	39	-1.0	-37.20	317.07	-1.21	-38.41
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(O)=C1O	REAL250005032852	0	26	-1.0	-42.42	252.60	-3.93	-46.35
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=NC=CN2N=C1	REAL250005032853	0	26	-1.0	-39.95	243.58	-1.04	-40.99
O=C(CC1=CC2=NNC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005032854	0	30	-1.0	-45.17	272.00	0.44	-44.73
CN1C=NC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032855	0	30	-1.0	-39.72	266.93	1.64	-38.08
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005032856	0	30	-1.0	-38.19	280.40	1.78	-36.41
CC[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032857	0	36	-1.0	-35.15	285.97	2.56	-32.59
CC1=CC2=C(C=C1C)C(C(=O)NCC1=NC(=O)O[N-]1)CO2	REAL250005032858	0	35	-1.0	-39.33	298.61	1.95	-37.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=N1	REAL250005032859	0	27	-1.0	-42.43	257.60	-1.14	-43.57
O=C(NCC1=NC(=O)O[N-]1)C12CC(C(F)(F)F)(C1)C2	REAL250005032860	0	28	-1.0	-34.48	263.87	1.61	-32.87
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(Cl)C(C2CC2)=C1	REAL250005032861	0	30	-1.0	-35.40	279.85	1.70	-33.70
CC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N=C1C	REAL250005032862	0	34	-1.0	-34.24	290.37	1.02	-33.22
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C=C1	REAL250005032863	0	34	-1.0	-44.79	308.04	2.68	-42.11
O=C(CNC(=O)C1=CC=CC(O)=C1)NCC1=NC(=O)O[N-]1	REAL250005032864	0	32	-1.0	-40.41	291.12	-3.31	-43.72
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Cl)=N1	REAL250005032865	0	20	-1.0	-39.56	225.45	-1.45	-41.01
O=C(NCC1=NC(=O)O[N-]1)C1=COC(CC2CC2)=N1	REAL250005032866	0	30	-1.0	-39.70	275.22	-1.31	-41.01
COCCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032867	0	31	-1.0	-42.35	281.73	-1.27	-43.62
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL250005032868	0	28	-1.0	-41.41	250.45	-2.83	-44.24
C=CCSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032869	0	32	-1.0	-39.43	291.12	3.46	-35.97
CNC(=O)CCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032870	0	33	-1.0	-41.77	288.34	-1.37	-43.14
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CC1	REAL250005032871	0	34	-1.0	-39.00	304.97	3.76	-35.24
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C(F)(F)F)=N1	REAL250005032872	0	23	-1.0	-40.26	249.37	-0.87	-41.13
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C(Cl)C1=O	REAL250005032873	0	24	-1.0	-58.59	240.29	-0.46	-59.05
CN(C)C1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032874	0	38	-1.0	-37.34	318.26	2.92	-34.42
O=C(NCC1=NC(=O)O[N-]1)C1COCCN1C1CCCC1	REAL250005032875	0	40	-1.0	-36.52	309.13	-1.11	-37.63
O=C(CC1=C2CCCCC2=NN1)NCC1=NC(=O)O[N-]1	REAL250005032876	0	34	-1.0	-39.62	288.38	0.43	-39.19
O=C(CC1=NNC2=C1CCCC2)NCC1=NC(=O)O[N-]1	REAL250005032876	1	34	-1.0	-41.33	288.42	0.42	-40.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(O)=C1O	REAL250005032877	0	26	-1.0	-40.46	240.71	-2.72	-43.18
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL250005032878	0	26	-1.0	-47.75	252.13	-0.39	-48.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=CC=NC=C21	REAL250005032879	0	28	-1.0	-37.17	252.37	-0.38	-37.55
CN1N=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032880	0	26	-1.0	-35.86	252.08	0.47	-35.39
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C=CC=C1F	REAL250005032881	0	25	-1.0	-41.87	241.86	-1.85	-43.72
COC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005032882	0	31	-1.0	-37.87	282.59	1.60	-36.27
CCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005032883	0	36	-1.0	-37.66	308.79	1.80	-35.86
CN1N=C2C=CC=CC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032884	0	30	-1.0	-39.34	273.01	0.88	-38.46
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005032885	0	34	-1.0	-35.44	266.68	0.10	-35.34
CC1=COC(C2=CC=CC=C2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032886	0	34	-1.0	-41.74	303.14	3.25	-38.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(CC2CC2)=N1	REAL250005032887	0	33	-1.0	-36.90	293.19	-0.58	-37.48
CCOC1CC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032888	0	34	-1.0	-38.66	288.88	0.75	-37.91
CC1=NOC(C2CC2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032889	0	30	-1.0	-36.44	276.17	1.45	-34.99
CC(C)(C)C1=CN=C(CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005032890	0	38	-1.0	-38.20	325.64	-0.01	-38.21
O=C(NCC1=NC(=O)O[N-]1)C1=NNC2=C1CCCCC2	REAL250005032891	0	34	-1.0	-41.41	278.26	0.32	-41.09
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCCC2=NN1	REAL250005032891	1	34	-1.0	-36.03	277.19	0.38	-35.65
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CC2CC2)=N1	REAL250005032892	0	33	-1.0	-35.99	300.34	1.83	-34.16
CC1=C(C)C=C2C(C(=O)NCC3=NC(=O)O[N-]3)=COC2=C1	REAL250005032893	0	33	-1.0	-39.56	288.82	2.60	-36.96
COC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032894	0	34	-1.0	-37.64	281.96	1.18	-36.46
N#CC1=CC(O)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032895	0	26	-1.0	-39.44	252.98	-1.41	-40.85
COCC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032896	0	34	-1.0	-38.37	300.81	1.45	-36.92
C=CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032897	0	34	-1.0	-36.17	294.53	3.53	-32.64
CN1N=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032898	0	30	-1.0	-38.08	267.41	0.07	-38.01
O=C(CCC1=CC=CC2=C1OCO2)NCC1=NC(=O)O[N-]1	REAL250005032899	0	33	-1.0	-39.98	293.21	1.19	-38.79
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C(F)(F)F)O1	REAL250005032900	0	27	-1.0	-36.54	261.00	1.08	-35.46
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C(F)(F)F)N=C1	REAL250005032901	0	25	-1.0	-33.79	251.82	-0.54	-34.33
CC(C)(C)OCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005032902	0	36	-1.0	-39.71	311.59	0.31	-39.40
C[C@H](OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032903	0	34	-1.0	-39.06	299.21	2.86	-36.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC(C2CC2)=C1	REAL250005032904	0	31	-1.0	-38.68	275.77	0.20	-38.48
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL250005032905	0	26	-1.0	-35.52	254.79	0.33	-35.19
COC(OC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005032908	0	32	-1.0	-42.17	287.11	-0.77	-42.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=N1)N=CNC2=O	REAL250005032909	0	28	-1.0	-47.64	264.35	-1.69	-49.33
N#CC1=C(F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032910	0	25	-1.0	-42.10	244.38	1.32	-40.78
COC1=CC=C(F)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032911	0	31	-1.0	-38.81	280.47	1.16	-37.65
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032912	0	34	-1.0	-44.44	300.93	2.88	-41.56
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(F)=C1F	REAL250005032913	0	24	-1.0	-40.82	243.70	1.06	-39.76
CS(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032914	0	29	-1.0	-42.29	273.33	-0.37	-42.66
O=C(CCC1=CN=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005032915	0	35	-1.0	-38.96	305.05	2.89	-36.07
COC(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032916	0	33	-1.0	-42.49	298.08	2.48	-40.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NNC=N2)C=C1	REAL250005032917	0	30	-1.0	-41.94	276.17	1.92	-40.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=CN2)C=C1	REAL250005032917	1	30	-1.0	-42.51	274.61	2.25	-40.26
CC(NC(=O)CC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032918	0	39	-1.0	-36.38	317.46	-0.04	-36.42
CCOC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005032919	0	29	-1.0	-36.96	267.18	-3.11	-40.07
N#CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005032920	0	25	-1.0	-35.13	257.30	1.84	-33.29
C=CCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032921	0	37	-1.0	-36.14	317.74	4.23	-31.91
CN1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005032922	0	33	-1.0	-37.52	281.85	0.88	-36.64
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN(C)C1=O	REAL250005032923	0	33	-1.0	-39.07	288.18	1.26	-37.81
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C(=S)NN=C2C=C1	REAL250005032924	0	27	-1.0	-39.48	265.00	2.02	-37.46
O=C(CC1CC1(Cl)Cl)NCC1=NC(=O)O[N-]1	REAL250005032925	0	24	-1.0	-36.98	248.12	1.30	-35.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=N1)CCCC2	REAL250005032926	0	33	-1.0	-40.14	281.09	1.81	-38.33
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SCCO1	REAL250005032927	0	27	-1.0	-39.53	244.69	-0.01	-39.54
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(O)C=C1	REAL250005032928	0	27	-1.0	-37.77	252.45	-1.95	-39.72
CC1=CC=C2OC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=C1	REAL250005032929	0	35	-1.0	-38.58	299.27	3.40	-35.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NO1	REAL250005032930	0	27	-1.0	-36.68	251.94	0.57	-36.11
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL250005032931	0	30	-1.0	-39.44	274.14	2.68	-36.76
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032932	0	37	-1.0	-36.81	311.11	4.30	-32.51
CC1=C(C#N)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032933	0	28	-1.0	-36.69	255.59	1.96	-34.73
COCCOC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032934	0	34	-1.0	-39.57	301.16	-1.26	-40.83
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C#N	REAL250005032935	0	28	-1.0	-37.13	261.08	1.94	-35.19
CN1N=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CN=C21	REAL250005032936	0	28	-1.0	-43.98	259.14	-1.13	-45.11
O=C(NCC1=NC(=O)O[N-]1)C1C2C3CC4C5CC(C2C35)C41	REAL250005032937	0	37	-1.0	-36.40	280.88	3.36	-33.04
O=C(COC1=CSC=C1)NCC1=NC(=O)O[N-]1	REAL250005032938	0	25	-1.0	-37.96	245.49	0.59	-37.37
CCC1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032939	0	36	-1.0	-35.27	281.25	2.49	-32.78
COC1=CC=C2OC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL250005032940	0	31	-1.0	-41.94	279.28	0.66	-41.28
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC(F)=C1	REAL250005032941	0	31	-1.0	-36.69	280.07	3.15	-33.54
CC(C)C(NC(=O)C(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032942	0	42	-1.0	-36.62	334.94	0.74	-35.88
O=C(NCC1=NC(=O)O[N-]1)C1=CON=C1C1CC1	REAL250005032943	0	27	-1.0	-36.04	250.30	0.66	-35.38
CNC1=NC(C)=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032944	0	30	-1.0	-38.73	272.18	0.23	-38.50
COC1=COC(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005032945	0	27	-1.0	-39.61	253.78	-0.93	-40.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=NC=C2N=C1	REAL250005032946	0	28	-1.0	-37.53	257.33	-0.34	-37.87
CC1=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC2=C1	REAL250005032947	0	31	-1.0	-36.89	275.28	3.37	-33.52
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2OCCO2)S1	REAL250005032948	0	29	-1.0	-39.35	276.84	-2.15	-41.50
CCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=N1	REAL250005032949	0	35	-1.0	-36.87	295.18	2.06	-34.81
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)F)CCCCC1	REAL250005032950	0	33	-1.0	-34.72	269.69	1.84	-32.88
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CN=N2)=C1	REAL250005032951	0	29	-1.0	-42.90	268.70	-0.83	-43.73
O=C(NCC1=NC(=O)O[N-]1)C1CCCC(F)(F)C1	REAL250005032952	0	30	-1.0	-35.58	258.03	1.42	-34.16
CC1=CC=C2C(C(=O)NCC3=NC(=O)O[N-]3)=CSC2=C1	REAL250005032953	0	30	-1.0	-38.25	276.89	3.03	-35.22
CC1=C(Cl)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032954	0	27	-1.0	-35.25	251.04	2.16	-33.09
CN1C=C2C(=N1)CCCC2C(=O)NCC1=NC(=O)O[N-]1	REAL250005032955	0	34	-1.0	-37.49	283.38	1.31	-36.18
O=C(CC1CCC(F)(F)C1)NCC1=NC(=O)O[N-]1	REAL250005032956	0	30	-1.0	-36.25	262.10	1.56	-34.69
CC1=NC2=C(CCCC2C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005032957	0	33	-1.0	-41.00	290.22	1.81	-39.19
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=CC=CN=C21	REAL250005032958	0	33	-1.0	-41.60	276.63	2.41	-39.19
O=C(CC1CC(C2=CC=CC=C2)C1)NCC1=NC(=O)O[N-]1	REAL250005032959	0	37	-1.0	-36.90	309.48	4.25	-32.65
O=C(CCCC1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005032960	0	37	-1.0	-36.71	300.56	1.09	-35.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2CCC2)=C1	REAL250005032961	0	34	-1.0	-37.07	286.84	3.62	-33.45
CSC1=C(F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032962	0	28	-1.0	-37.84	266.89	2.18	-35.66
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CN(C)N=C1	REAL250005032963	0	31	-1.0	-40.20	281.61	-0.38	-40.58
CC1=NOC(C)=C1C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032964	0	35	-1.0	-37.50	283.58	1.20	-36.30
CC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL250005032965	0	32	-1.0	-36.61	279.75	2.22	-34.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1CC(F)F	REAL250005032966	0	27	-1.0	-37.12	254.66	-0.11	-37.23
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C(F)(F)F)CC1	REAL250005032967	0	33	-1.0	-38.08	277.75	2.07	-36.01
CC(=O)NC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032968	0	34	-1.0	-40.25	298.96	0.81	-39.44
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL250005032969	0	35	-1.0	-37.25	298.59	2.50	-34.75
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2CC2)=N1	REAL250005032970	0	30	-1.0	-36.42	278.45	1.19	-35.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=CC=C12	REAL250005032971	0	30	-1.0	-36.22	268.14	3.34	-32.88
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=COC=C2)=N1	REAL250005032972	0	31	-1.0	-40.72	282.30	0.49	-40.23
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CN=C2S1	REAL250005032973	0	25	-1.0	-42.09	250.53	-1.41	-43.50
CC1=CSC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005032974	0	29	-1.0	-37.56	273.74	0.24	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=NC=C2)C=C1	REAL250005032975	0	30	-1.0	-43.64	277.65	0.44	-43.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NCC2CC2)N=C1	REAL250005032976	0	35	-1.0	-38.05	303.89	1.29	-36.76
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2CCC2)=N1	REAL250005032977	0	30	-1.0	-39.55	270.14	-1.54	-41.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)N=N1	REAL250005032978	0	22	-1.0	-39.66	230.29	-1.40	-41.06
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL250005032979	0	35	-1.0	-38.26	290.86	2.16	-36.10
CC1C(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=CC=C1	REAL250005032980	0	34	-1.0	-36.39	290.89	3.58	-32.81
CC1=CC=CN=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032981	0	29	-1.0	-40.69	264.57	1.22	-39.47
CSC1=CC=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032982	0	28	-1.0	-43.89	270.27	1.86	-42.03
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL250005032983	0	29	-1.0	-33.41	253.88	0.87	-32.54
COC(=O)[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032984	0	36	-1.0	-37.72	301.56	1.94	-35.78
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL250005032985	0	28	-1.0	-35.17	283.11	2.86	-32.31
CCSC1=NC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032986	0	29	-1.0	-40.86	273.06	-0.41	-41.27
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC(F)F)C=C1	REAL250005032987	0	27	-1.0	-46.68	259.96	-0.00	-46.68
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005032988	0	30	-1.0	-47.55	277.58	2.20	-45.35
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC=CC=C2N=C1	REAL250005032989	0	27	-1.0	-51.18	247.98	-0.76	-51.94
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL250005032990	0	37	-1.0	-35.99	283.50	0.40	-35.59
NC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005032991	0	27	-1.0	-40.59	257.72	-0.25	-40.84
CN1N=CC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005032992	0	34	-1.0	-37.55	286.84	1.12	-36.43
CS(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032993	0	32	-1.0	-48.44	297.96	0.32	-48.12
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C[C@@H]1C1=CC=CC(F)=C1	REAL250005032994	0	31	-1.0	-37.90	280.09	3.15	-34.75
CC(C)N1C=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005032995	0	30	-1.0	-43.29	268.08	1.57	-41.72
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)OC=C1	REAL250005032997	0	21	-1.0	-36.68	223.53	-0.27	-36.95
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C1=CC=CC=C1	REAL250005032998	0	36	-1.0	-39.00	296.80	1.59	-37.41
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1Cl	REAL250005032999	0	27	-1.0	-38.36	260.54	2.20	-36.16
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCCC(C2)C1	REAL250005033000	0	37	-1.0	-35.38	278.77	2.57	-32.81
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL250005033001	0	30	-1.0	-37.47	264.27	1.23	-36.24
O=C(NCC1=NC(=O)O[N-]1)C1CCN(CC(F)F)CC1	REAL250005033002	0	35	-1.0	-38.32	284.84	-0.65	-38.97
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=COC=C1	REAL250005033003	0	28	-1.0	-39.78	259.48	-0.82	-40.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=CN=C2)=C1	REAL250005033004	0	34	-1.0	-42.81	304.41	4.31	-38.50
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=NC=CN=C2C=C1	REAL250005033005	0	27	-1.0	-46.40	254.44	-1.38	-47.78
CC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2O1	REAL250005033006	0	29	-1.0	-39.46	264.70	-1.29	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2N=N1	REAL250005033007	0	27	-1.0	-46.89	255.38	-0.66	-47.55
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C2O1	REAL250005033008	0	29	-1.0	-44.93	264.31	-1.08	-46.01
CN1C=NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL250005033009	0	30	-1.0	-39.83	263.99	2.16	-37.67
COC1=CC=CN=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033010	0	30	-1.0	-41.55	269.11	-0.75	-42.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2C=C1F	REAL250005033011	0	28	-1.0	-41.48	261.66	-0.43	-41.91
CC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005033012	0	26	-1.0	-35.52	251.31	-0.28	-35.80
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)C2=CC=CC=C21	REAL250005033013	0	30	-1.0	-39.17	270.46	1.87	-37.30
CC1=CC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033014	0	30	-1.0	-46.82	271.37	1.00	-45.82
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C1CC1	REAL250005033015	1	33	-1.0	-37.28	277.00	-0.12	-37.40
CC1=CC=CC(Cl)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033016	0	30	-1.0	-37.69	276.81	2.68	-35.01
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)C2=CC=CN21	REAL250005033017	0	31	-1.0	-37.26	268.62	1.57	-35.69
CC1(C)COC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005033018	0	35	-1.0	-41.98	296.98	2.93	-39.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=CN=C1Cl	REAL250005033019	0	30	-1.0	-36.40	278.07	1.77	-34.63
O=C(CCC1=CNC(=O)C=C1)NCC1=NC(=O)O[N-]1	REAL250005033020	0	30	-1.0	-43.18	271.75	-0.58	-43.76
NC(=O)C1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033021	0	34	-1.0	-44.28	293.08	-0.72	-45.00
CC1CCC(OCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033022	0	37	-1.0	-38.26	300.97	2.42	-35.84
NC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033023	0	31	-1.0	-42.71	280.29	-1.49	-44.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)C=N1	REAL250005033024	0	30	-1.0	-41.49	274.40	1.72	-39.77
CS(=O)(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033025	0	27	-1.0	-42.86	254.31	-2.84	-45.70
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1CCOCC1	REAL250005033026	0	36	-1.0	-36.84	281.39	-1.80	-38.64
COCCOC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033027	0	41	-1.0	-37.32	334.84	0.53	-36.79
O=C(NCC1=NC(=O)O[N-]1)C(F)CC1CCCCC1	REAL250005033028	0	36	-1.0	-34.97	292.08	2.68	-32.29
O=C(CC1=CC2=CNN=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005033029	0	30	-1.0	-43.34	272.01	0.44	-42.90
CC1C(=O)CCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033030	0	32	-1.0	-37.09	272.57	1.06	-36.03
COC1CCCC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033031	0	37	-1.0	-35.92	298.04	1.00	-34.92
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=C(F)C=C21	REAL250005033032	0	28	-1.0	-38.12	257.36	2.37	-35.75
CC1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N1C	REAL250005033033	0	33	-1.0	-42.00	289.65	2.20	-39.80
CC(C)(C#N)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033034	0	34	-1.0	-39.79	297.67	3.00	-36.79
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005033035	0	42	-1.0	-34.64	308.33	3.34	-31.30
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(O)=C1F	REAL250005033036	0	25	-1.0	-42.93	248.23	-1.85	-44.78
O=C(NCC1=NC(=O)O[N-]1)C(F)=CC1CCCCC1	REAL250005033037	0	34	-1.0	-35.38	287.01	2.68	-32.70
CC(C)CC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033038	0	36	-1.0	-37.19	295.24	3.68	-33.51
N#CC1=CC=C(CC(C#N)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033039	0	32	-1.0	-41.57	305.69	3.04	-38.53
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2CCCCC2)C=C1	REAL250005033040	0	37	-1.0	-41.72	308.38	2.06	-39.66
O=C(CCSCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005033041	0	34	-1.0	-36.49	311.84	3.90	-32.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(=O)O1	REAL250005033042	0	29	-1.0	-44.34	271.44	2.37	-41.97
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)SC=N1	REAL250005033043	0	23	-1.0	-40.86	242.16	-0.74	-41.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C=CCCC2=C1	REAL250005033044	0	32	-1.0	-37.70	276.24	3.42	-34.28
CCCOC1=NC(C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033045	0	36	-1.0	-40.11	311.10	1.36	-38.75
CCOC1=NC(C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033046	0	33	-1.0	-40.19	289.60	0.56	-39.63
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC=C1Br	REAL250005033047	0	23	-1.0	-40.69	234.63	-0.04	-40.73
O=C(CC1=CC=CC(C(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL250005033048	0	30	-1.0	-40.34	279.92	2.66	-37.68
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CN=C2)=NO1	REAL250005033049	0	31	-1.0	-42.22	284.04	0.68	-41.54
CC(C)(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005033050	0	32	-1.0	-42.42	282.38	-0.68	-43.10
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)C=C1Cl	REAL250005033051	0	30	-1.0	-34.47	272.61	2.83	-31.64
N#CCC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005033052	0	34	-1.0	-39.35	300.48	3.36	-35.99
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(Cl)C=C21	REAL250005033053	0	29	-1.0	-37.61	276.25	1.25	-36.36
COC1=CC(C)=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033054	0	30	-1.0	-44.48	267.29	0.54	-43.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1C1=CC=CC=C1	REAL250005033055	0	31	-1.0	-34.81	274.24	3.27	-31.54
CN1C=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033056	0	32	-1.0	-41.11	292.38	0.22	-40.89
O=C(NCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)C1	REAL250005033057	0	32	-1.0	-37.17	278.90	-1.29	-38.46
CCSCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033058	0	34	-1.0	-38.45	301.59	3.81	-34.64
O=C(CCC1=CC2=CC=CC=C2N=C1)NCC1=NC(=O)O[N-]1	REAL250005033059	0	35	-1.0	-39.64	308.33	2.89	-36.75
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Cl)S1	REAL250005033060	0	20	-1.0	-35.02	225.54	-1.27	-36.29
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)CCCO1	REAL250005033061	0	32	-1.0	-37.50	271.13	0.93	-36.57
CC(C)(C)OC(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033062	0	35	-1.0	-37.04	296.11	1.57	-35.47
CCOC(=O)C1(CC(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005033063	0	36	-1.0	-41.45	304.41	2.16	-39.29
CC(C(=O)NCC1=NC(=O)O[N-]1)N(C)CC(F)(F)F	REAL250005033064	0	31	-1.0	-38.06	268.24	-1.11	-39.17
CC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005033065	0	31	-1.0	-39.80	281.87	0.07	-39.73
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033066	0	30	-1.0	-37.16	276.60	2.28	-34.88
COC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033067	0	26	-1.0	-36.09	245.38	-3.99	-40.08
CC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005033068	0	30	-1.0	-38.15	278.71	2.75	-35.40
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2CCCCN12	REAL250005033069	0	31	-1.0	-37.00	262.11	1.24	-35.76
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1[N+](=O)[O-]	REAL250005033070	0	23	-1.0	-42.34	226.80	0.07	-42.27
CN(C)C(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033071	0	31	-1.0	-40.44	270.57	-0.73	-41.17
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL250005033072	0	27	-1.0	-37.58	255.05	2.23	-35.35
CCN1N=NC2=C1CCC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005033073	0	36	-1.0	-43.90	303.52	0.62	-43.28
COCC1=NOC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033074	0	27	-1.0	-37.38	252.22	-1.87	-39.25
CN1C=CC=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033075	0	27	-1.0	-39.85	245.90	0.34	-39.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OC(=O)NC2=C1	REAL250005033076	0	27	-1.0	-37.23	252.88	-1.45	-38.68
CCOC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005033077	0	34	-1.0	-37.73	272.63	1.51	-36.22
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCOCC2=CO1	REAL250005033078	0	29	-1.0	-39.50	257.30	-0.91	-40.41
CC1=CN=C(COCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005033079	0	30	-1.0	-44.32	277.64	-2.35	-46.67
COCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005033080	0	27	-1.0	-37.12	263.89	-2.06	-39.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)S1	REAL250005033081	0	24	-1.0	-34.81	253.67	1.22	-33.59
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN1	REAL250005033082	0	31	-1.0	-40.55	268.06	0.80	-39.75
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C(C)C)O1	REAL250005033083	0	32	-1.0	-39.69	284.01	-1.41	-41.10
CC(C)(C)CCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033084	0	38	-1.0	-35.59	305.46	2.76	-32.83
CC1=CC=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005033085	0	32	-1.0	-39.39	280.16	1.98	-37.41
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1OC	REAL250005033086	0	35	-1.0	-37.37	298.27	1.12	-36.25
CC1=NN=C(COCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005033087	0	29	-1.0	-44.77	281.42	-1.10	-45.87
COC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL250005033088	0	35	-1.0	-41.75	301.38	2.07	-39.68
CCOC(=O)CC(C)(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033089	0	38	-1.0	-39.72	306.96	2.07	-37.65
CCC1=CC=C2OC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL250005033090	0	33	-1.0	-39.45	292.70	2.81	-36.64
CC(C)(C)OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033091	0	36	-1.0	-37.56	297.07	0.69	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=NN1	REAL250005033092	0	23	-1.0	-34.28	233.44	-0.80	-35.08
NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1Cl	REAL250005033093	0	27	-1.0	-46.79	265.69	-3.45	-50.24
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005033094	0	30	-1.0	-41.49	268.79	-0.63	-42.12
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C(C)C)O1	REAL250005033095	0	33	-1.0	-36.79	286.96	2.07	-34.72
CC(C)OC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033096	0	33	-1.0	-40.56	288.14	0.87	-39.69
N#CC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033097	0	25	-1.0	-39.50	254.46	1.95	-37.55
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2CCCCC21	REAL250005033098	0	40	-1.0	-35.61	297.55	3.41	-32.20
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL250005033099	0	30	-1.0	-57.99	262.98	1.00	-56.99
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=CN1C1CC1	REAL250005033100	0	34	-1.0	-56.04	291.01	2.40	-53.64
COC(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL250005033101	0	30	-1.0	-41.80	278.34	0.63	-41.17
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1CC1	REAL250005033102	0	33	-1.0	-47.51	290.26	-1.33	-48.84
CC1CC2=CNN=C2C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033103	0	34	-1.0	-42.03	284.62	0.63	-41.40
O=C(NCC1=NC(=O)O[N-]1)C(C1CCC1)C1CCC1	REAL250005033104	0	37	-1.0	-36.15	293.02	3.31	-32.84
COC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL250005033105	0	34	-1.0	-41.03	301.91	1.88	-39.15
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL250005033106	0	31	-1.0	-36.85	273.66	3.08	-33.77
O=C(CC1=CC=C2N=CSC2=C1)NCC1=NC(=O)O[N-]1	REAL250005033107	0	29	-1.0	-40.12	276.90	1.11	-39.01
CNC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL250005033108	0	30	-1.0	-40.95	279.60	0.93	-40.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CS1	REAL250005033109	0	21	-1.0	-37.06	226.98	0.56	-36.50
O=C(CC1=COC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005033110	0	30	-1.0	-40.56	273.67	2.09	-38.47
CN1N=CC=C1COCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033112	0	31	-1.0	-42.87	281.06	-0.20	-43.07
CC1=CC2=C(C)C=CN=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033113	0	35	-1.0	-45.02	299.49	3.07	-41.95
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2CCCCC2)=N1	REAL250005033114	0	36	-1.0	-39.09	306.06	-0.35	-39.44
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC(Cl)=CC2=C1	REAL250005033115	0	27	-1.0	-40.29	269.19	1.23	-39.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)NC2=N1	REAL250005033116	0	27	-1.0	-42.68	253.96	-2.84	-45.52
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)C2=CC=CC=C21	REAL250005033117	0	33	-1.0	-38.11	285.08	2.61	-35.50
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=NC=C2C=C1	REAL250005033118	1	27	-1.0	-37.21	248.07	2.46	-34.75
CC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1O	REAL250005033119	0	30	-1.0	-40.01	271.15	0.06	-39.95
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC=CN=C21	REAL250005033120	0	30	-1.0	-42.18	262.05	1.13	-41.05
CC(C)(C)C(NC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033121	0	35	-1.0	-37.65	284.39	-3.47	-41.12
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005033122	0	32	-1.0	-35.10	258.10	-2.16	-37.26
COCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=N1	REAL250005033123	0	27	-1.0	-38.25	258.95	-2.16	-40.41
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)OC=C1	REAL250005033124	0	30	-1.0	-38.80	264.15	1.07	-37.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC(CC2=CC=CC=C2)=NN1	REAL250005033125	0	34	-1.0	-36.69	306.22	1.85	-34.84
CCOC(=O)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005033126	0	29	-1.0	-35.99	287.12	-0.18	-36.17
COC(=O)N[C@@H](CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033127	0	37	-1.0	-35.34	303.39	-1.57	-36.91
CC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1(Cl)Cl	REAL250005033128	0	27	-1.0	-37.52	266.95	1.75	-35.77
COCC1=NN(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033129	0	31	-1.0	-40.43	277.92	-1.55	-41.98
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005033130	0	24	-1.0	-38.36	242.75	-0.82	-39.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=NC=C2S1	REAL250005033131	0	26	-1.0	-37.12	255.00	0.68	-36.44
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC=C1C(N)=O	REAL250005033132	0	30	-1.0	-40.06	269.32	-3.22	-43.28
CC1CC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2O1	REAL250005033133	0	32	-1.0	-42.63	277.23	2.57	-40.06
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CC2)N=N1	REAL250005033134	0	30	-1.0	-43.10	275.12	-0.21	-43.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CN=C2S1	REAL250005033135	0	26	-1.0	-41.51	255.00	0.56	-40.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=NC=C2C=C1	REAL250005033136	0	29	-1.0	-37.61	262.10	1.54	-36.07
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C1CCC2	REAL250005033137	0	34	-1.0	-38.42	283.21	3.51	-34.91
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C(C)C	REAL250005033138	0	33	-1.0	-43.08	288.27	0.85	-42.23
CN1N=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033139	0	29	-1.0	-39.24	264.01	-1.30	-40.54
CCC(CC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033140	0	29	-1.0	-34.10	254.29	0.85	-33.25
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL250005033141	0	31	-1.0	-38.72	287.93	3.49	-35.23
CC1=CC=C(F)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033142	0	30	-1.0	-39.09	272.58	2.43	-36.66
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005033143	0	37	-1.0	-36.72	285.01	3.13	-33.59
CC1=CN=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033144	0	32	-1.0	-37.64	283.44	1.39	-36.25
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(C(C)C)=N1	REAL250005033145	0	32	-1.0	-36.84	282.40	-1.53	-38.37
CC(F)(F)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033146	0	30	-1.0	-36.20	274.30	2.58	-33.62
CC(C)CC(CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033147	0	41	-1.0	-36.09	315.93	3.78	-32.31
O=C(CC1COC2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL250005033148	0	33	-1.0	-42.12	288.96	1.66	-40.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC(F)F)=C1	REAL250005033149	0	27	-1.0	-38.42	259.61	-1.52	-39.94
O=C(CCCC(=O)C1CC1)NCC1=NC(=O)O[N-]1	REAL250005033150	0	32	-1.0	-42.79	283.05	1.81	-40.98
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCSCC2	REAL250005033151	0	32	-1.0	-35.74	271.92	2.33	-33.41
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=N1	REAL250005033152	0	29	-1.0	-36.53	266.64	0.14	-36.39
CC1=NC2=CC=NN2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033153	0	29	-1.0	-37.48	259.91	0.62	-36.86
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC=C1Cl	REAL250005033154	0	31	-1.0	-38.75	287.91	3.49	-35.26
O=C(NCC1=NC(=O)O[N-]1)C1(C(=O)C2CC2)CC1	REAL250005033155	0	30	-1.0	-38.14	273.13	1.49	-36.65
CC(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005033156	0	28	-1.0	-43.35	265.77	-1.74	-45.09
COC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL250005033157	0	31	-1.0	-38.18	291.29	1.58	-36.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)N1	REAL250005033158	0	32	-1.0	-37.06	271.76	1.26	-35.80
O=C(CCC1CCC(=O)N1)NCC1=NC(=O)O[N-]1	REAL250005033159	0	31	-1.0	-42.48	269.47	-1.80	-44.28
O=C(CC1=CC=C(O)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL250005033160	0	28	-1.0	-39.78	263.00	-1.05	-40.83
C[Si](C)(C)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033161	0	35	-1.0	-37.09	300.70	4.14	-32.95
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NC=CN2C1	REAL250005033162	0	31	-1.0	-37.26	265.81	1.18	-36.08
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033163	0	31	-1.0	-40.10	276.82	2.27	-37.83
CN1N=C(C(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033164	0	27	-1.0	-34.43	262.81	-0.22	-34.65
O=C(NCC1=NC(=O)O[N-]1)C1CCCCC1(F)F	REAL250005033165	0	30	-1.0	-39.15	255.74	1.41	-37.74
CC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1C	REAL250005033166	0	36	-1.0	-35.28	277.92	2.16	-33.12
CC1=CC(F)=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005033167	0	30	-1.0	-37.73	277.88	2.48	-35.25
COC1COCCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033168	0	35	-1.0	-36.17	288.28	-1.32	-37.49
CCCC1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033169	0	36	-1.0	-35.81	292.38	2.68	-33.13
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005033170	0	24	-1.0	-37.41	239.90	-0.83	-38.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N1	REAL250005033171	0	25	-1.0	-34.62	249.35	-0.22	-34.84
CCOC1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033172	0	27	-1.0	-35.27	254.65	-2.57	-37.84
CC(C)(CCC(=O)NCC1=NC(=O)O[N-]1)[N+](=O)[O-]	REAL250005033173	0	31	-1.0	-39.77	268.78	0.76	-39.01
CC(C)(C)C(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033174	0	37	-1.0	-42.50	309.31	2.04	-40.46
NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005033175	0	26	-1.0	-37.14	245.61	-4.43	-41.57
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CNC2=CC=N1	REAL250005033176	0	27	-1.0	-45.48	247.53	-0.63	-46.11
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL250005033177	0	33	-1.0	-40.17	291.61	2.89	-37.28
N#CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005033178	0	22	-1.0	-36.38	233.07	0.50	-35.88
C=CCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033179	0	35	-1.0	-38.38	310.01	2.54	-35.84
CC(OCCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033180	0	37	-1.0	-38.01	321.52	3.59	-34.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCCC2	REAL250005033181	0	34	-1.0	-37.65	278.07	3.54	-34.11
COC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033182	0	34	-1.0	-37.17	291.10	2.30	-34.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL250005033183	0	27	-1.0	-34.26	260.69	0.15	-34.11
CCOC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033184	0	34	-1.0	-37.12	304.64	0.94	-36.18
CC(=O)NC[C@H](CC(=O)NCC1=NC(=O)O[N-]1)CC(C)C	REAL250005033185	0	42	-1.0	-40.43	334.41	1.30	-39.13
CCOCC1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005033186	0	33	-1.0	-37.14	302.76	-0.47	-37.61
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1C(=O)CCC2	REAL250005033187	0	30	-1.0	-48.19	266.45	2.21	-45.98
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2)C1	REAL250005033188	0	36	-1.0	-37.50	299.81	1.37	-36.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1CC(F)(F)F	REAL250005033189	0	27	-1.0	-36.31	261.45	0.07	-36.24
COC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033190	0	33	-1.0	-39.93	300.56	2.40	-37.53
COC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1O	REAL250005033191	0	32	-1.0	-40.32	286.01	-1.14	-41.46
CC(OCC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033192	0	34	-1.0	-38.96	306.42	2.88	-36.08
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CC12CCCC2	REAL250005033193	0	32	-1.0	-38.63	275.95	2.14	-36.49
O=C(NCC1=NC(=O)O[N-]1)C1CCCC1C1=CC=CC=C1	REAL250005033194	0	37	-1.0	-36.77	305.43	4.18	-32.59
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033195	0	37	-1.0	-36.34	303.53	-0.88	-37.22
CC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL250005033196	0	36	-1.0	-37.04	289.56	-0.18	-37.22
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCC1	REAL250005033197	0	27	-1.0	-36.27	244.55	1.03	-35.24
CC1=NSC(NC2CC2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033198	0	32	-1.0	-37.02	297.72	-0.24	-37.26
CN1C=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033199	0	30	-1.0	-40.48	269.97	0.23	-40.25
CCN1N=C(C)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005033200	0	36	-1.0	-41.02	309.45	1.38	-39.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(F)=C2N=C1	REAL250005033201	0	29	-1.0	-41.74	268.67	1.51	-40.23
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL250005033202	0	30	-1.0	-40.92	266.02	-0.07	-40.99
CC1=NN(C(C)C)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033203	0	39	-1.0	-41.08	329.20	2.04	-39.04
O=C(NCC1=NC(=O)O[N-]1)C1=C2OCCCN2N=C1	REAL250005033204	0	29	-1.0	-43.24	257.80	-1.78	-45.02
CC1=CC(C#N)=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033205	0	27	-1.0	-38.33	255.21	0.40	-37.93
CC(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005033206	0	29	-1.0	-38.86	264.05	0.55	-38.31
N#CC1=CSC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033207	0	22	-1.0	-42.74	230.54	0.27	-42.47
CCOC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033208	0	28	-1.0	-34.82	258.36	-3.73	-38.55
COC1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033209	0	34	-1.0	-36.34	277.29	0.44	-35.90
CN(C)C1=CC(C#N)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033210	0	33	-1.0	-39.00	293.01	1.81	-37.19
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CC2)=NO1	REAL250005033211	0	30	-1.0	-36.88	275.98	1.46	-35.42
CC1=CN2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=N1	REAL250005033212	0	30	-1.0	-40.36	269.65	2.20	-38.16
CC1=CN=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=CN12	REAL250005033213	0	30	-1.0	-39.80	269.46	2.13	-37.67
CCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005033214	0	29	-1.0	-38.82	264.75	0.70	-38.12
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN2C=CN=C12	REAL250005033215	0	26	-1.0	-48.31	244.95	0.05	-48.26
CC(C)(C)N1C=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033216	0	32	-1.0	-44.53	281.48	1.33	-43.20
CC1=NC(C(C)C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033217	0	35	-1.0	-35.76	292.56	1.76	-34.00
CCC1=NC(C(C)C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033218	0	38	-1.0	-35.65	311.15	2.46	-33.19
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NN=CN2C1	REAL250005033219	0	30	-1.0	-39.77	260.35	1.86	-37.91
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)SC(Cl)=N1	REAL250005033221	0	20	-1.0	-37.20	239.39	-0.76	-37.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1C1CC1	REAL250005033222	0	30	-1.0	-36.83	263.50	1.60	-35.23
O=C(CC1=CN=CC(O)=C1)NCC1=NC(=O)O[N-]1	REAL250005033223	0	27	-1.0	-40.08	251.63	-2.92	-43.00
O=C(CCN1C(=O)CCNC1=S)NCC1=NC(=O)O[N-]1	REAL250005033224	0	32	-1.0	-49.16	292.71	-0.07	-49.23
CN1C=NN(CCC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005033225	0	30	-1.0	-45.94	275.38	0.70	-45.24
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL250005033226	0	33	-1.0	-37.99	287.71	0.93	-37.06
CC(C)(C)CCC1(O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033227	0	43	-1.0	-37.37	337.14	0.58	-36.79
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=CO1	REAL250005033228	0	30	-1.0	-40.12	275.22	-0.71	-40.83
CCOC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005033229	0	32	-1.0	-38.18	295.15	0.90	-37.28
CN1C=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005033230	0	30	-1.0	-43.41	269.42	2.38	-41.03
C#CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033231	0	33	-1.0	-37.35	299.67	2.61	-34.74
CCN1N=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033232	0	29	-1.0	-38.49	262.10	-1.40	-39.89
COCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033234	0	28	-1.0	-40.12	259.05	-2.51	-42.63
CC1=NC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033235	0	31	-1.0	-38.60	278.15	0.52	-38.08
CC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005033236	0	26	-1.0	-41.25	255.07	0.55	-40.70
O=C(CC1CCCS(=O)(=O)C1)NCC1=NC(=O)O[N-]1	REAL250005033237	0	33	-1.0	-44.38	284.41	-1.98	-46.36
COC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005033238	0	26	-1.0	-41.07	243.68	-2.19	-43.26
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCC1CC2	REAL250005033239	0	34	-1.0	-35.52	263.90	2.17	-33.35
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN1C(C)C	REAL250005033240	0	34	-1.0	-40.42	287.26	2.54	-37.88
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COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005033276	0	35	-1.0	-37.68	280.35	-1.01	-38.69
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CNC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033300	0	29	-1.0	-38.00	268.63	0.36	-37.64
COC1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C21	REAL250005033301	0	31	-1.0	-39.47	277.62	-0.95	-40.42
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CC(C)(C)C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033303	0	34	-1.0	-35.30	292.99	1.03	-34.27
CCOC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033304	0	33	-1.0	-36.55	297.74	2.65	-33.90
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CC(=CC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033311	0	31	-1.0	-37.94	283.56	3.26	-34.68
CC(=CC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033312	0	31	-1.0	-36.89	285.04	3.33	-33.56
COC(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=CO1	REAL250005033314	0	33	-1.0	-42.90	305.19	1.25	-41.65
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CN1C=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033320	0	31	-1.0	-39.72	278.11	0.89	-38.83
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CS(=O)(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005033322	0	33	-1.0	-42.27	282.65	-1.73	-44.00
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CC(CC1=CNC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033325	0	30	-1.0	-40.33	260.69	1.15	-39.18
CC(CC1=CN=CN1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033325	1	30	-1.0	-38.61	261.94	0.45	-38.16
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033326	0	35	-1.0	-39.15	303.16	2.38	-36.77
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CC1=NC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033332	0	32	-1.0	-37.21	278.68	2.10	-35.11
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CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CC2)=N1	REAL250005033334	0	33	-1.0	-36.82	284.91	2.20	-34.62
CC1(C)CC=C(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033335	0	34	-1.0	-36.35	273.07	2.23	-34.12
CC(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL250005033336	0	35	-1.0	-39.88	292.00	2.36	-37.52
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2NC=CC2=C1	REAL250005033337	0	27	-1.0	-40.87	247.49	0.33	-40.54
O=C(COCC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005033338	0	31	-1.0	-39.56	296.96	2.63	-36.93
CC(CC1=CN(C)N=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033339	0	33	-1.0	-38.86	285.89	0.74	-38.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CO1	REAL250005033340	0	21	-1.0	-35.88	227.06	-0.32	-36.20
C[C@H]1CC[C@@](C)(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005033341	0	39	-1.0	-36.41	289.65	3.15	-33.26
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005033342	0	34	-1.0	-38.61	277.51	0.83	-37.78
O=C(NCC1=NC(=O)O[N-]1)C1C[C@H]2CC(=O)[C@@H]1C2	REAL250005033343	0	30	-1.0	-38.59	254.57	0.67	-37.92
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC=C1C#N	REAL250005033344	0	27	-1.0	-37.86	258.58	0.23	-37.63
CC(C)(C)C1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033345	0	36	-1.0	-36.05	285.75	2.24	-33.81
COC(=O)C1=C(CCC(=O)NCC2=NC(=O)O[N-]2)OC=N1	REAL250005033346	0	32	-1.0	-42.29	295.67	-2.17	-44.46
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C=CC=NN12	REAL250005033347	0	26	-1.0	-44.01	244.00	-0.03	-44.04
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C(F)(F)F)=N1	REAL250005033348	0	25	-1.0	-37.66	252.92	-1.54	-39.20
CC(C)(C)OC(=O)N1CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033349	0	38	-1.0	-45.77	316.26	1.09	-44.68
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CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CN(C)N=C1	REAL250005033351	0	33	-1.0	-39.17	286.09	0.83	-38.34
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CC(C)CC1=CNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033358	0	34	-1.0	-37.04	290.38	1.53	-35.51
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CCCC(CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033361	0	38	-1.0	-36.10	300.83	3.18	-32.92
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CCCCCCOC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033366	0	39	-1.0	-37.17	326.10	2.90	-34.27
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C[C@]1(C(=O)NCC2=NC(=O)O[N-]2)C[C@@H]1C1=CC=CC=C1	REAL250005033368	0	34	-1.0	-36.87	285.86	3.50	-33.37
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CCCN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005033371	0	34	-1.0	-39.14	291.62	0.36	-38.78
CC(OC1=CC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033372	0	30	-1.0	-39.64	271.81	-0.07	-39.71
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COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL250005033375	0	28	-1.0	-39.88	258.40	-1.94	-41.82
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COC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033377	0	33	-1.0	-40.81	283.95	1.25	-39.56
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL250005033378	0	31	-1.0	-36.23	290.39	3.60	-32.63
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033379	0	35	-1.0	-40.03	302.04	2.43	-37.60
COC(=CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033380	0	32	-1.0	-36.77	280.52	2.30	-34.47
CC1=CC(Cl)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033381	0	26	-1.0	-35.54	249.27	0.38	-35.16
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CN=C2)N=N1	REAL250005033382	0	29	-1.0	-42.39	273.42	-1.03	-43.42
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CC(C)CC(C(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033384	0	33	-1.0	-43.31	275.21	-2.17	-45.48
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN1	REAL250005033385	0	31	-1.0	-40.64	269.44	0.99	-39.65
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005033386	0	30	-1.0	-42.00	277.44	-2.71	-44.71
O=C(NCC1=NC(=O)O[N-]1)C1SCCCS1	REAL250005033387	0	26	-1.0	-39.12	246.62	1.04	-38.08
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCCC1	REAL250005033388	0	30	-1.0	-35.69	261.15	1.62	-34.07
COC1CCCCN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005033389	0	38	-1.0	-41.65	306.14	0.33	-41.32
CN1N=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL250005033390	0	33	-1.0	-42.85	295.70	1.59	-41.26
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033391	0	32	-1.0	-41.05	284.23	3.04	-38.01
CC(C)C1=NN(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033392	0	33	-1.0	-38.43	285.73	0.71	-37.72
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005033393	0	35	-1.0	-39.48	294.84	1.62	-37.86
CC1=C(F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033394	0	27	-1.0	-35.43	242.34	1.76	-33.67
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1N1C=CC=N1	REAL250005033395	0	34	-1.0	-38.72	294.98	3.18	-35.54
CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(C)C)=N1	REAL250005033396	0	36	-1.0	-38.18	307.24	1.57	-36.61
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CC(=CC1CCC(C)CC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033398	0	40	-1.0	-35.97	310.65	3.73	-32.24
O=C(CC1=NC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005033399	0	26	-1.0	-40.45	246.07	-0.11	-40.56
COC1=NSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033400	0	24	-1.0	-34.72	241.67	-3.10	-37.82
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O=C(NCC1=NC(=O)O[N-]1)C1(OC2=CC=CC=C2)CC1	REAL250005033402	0	32	-1.0	-37.54	279.92	2.11	-35.43
COC(=O)C1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033403	0	29	-1.0	-41.99	273.50	-0.00	-41.99
CC1=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL250005033404	0	27	-1.0	-42.70	260.82	-0.19	-42.89
CN1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005033405	0	31	-1.0	-37.56	263.53	-0.72	-38.28
CCN1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005033406	0	34	-1.0	-37.62	284.91	0.29	-37.33
O=C(CC1=NSC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005033407	0	29	-1.0	-41.36	276.48	1.71	-39.65
CC(CC(=O)NCC1=NC(=O)O[N-]1)N1C=CC=N1	REAL250005033408	0	30	-1.0	-37.88	262.69	0.15	-37.73
CC1=C2OC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL250005033409	0	30	-1.0	-39.45	271.23	2.05	-37.40
CCC(CC1=CC=CC=C1C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033410	0	39	-1.0	-35.72	319.46	4.04	-31.68
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CC(=O)NC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033413	0	34	-1.0	-42.45	301.84	0.64	-41.81
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005033414	0	35	-1.0	-36.08	276.72	0.80	-35.28
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033415	0	38	-1.0	-39.39	318.43	0.15	-39.24
CC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL250005033416	0	37	-1.0	-36.78	309.68	4.00	-32.78
CC1=C(C)CC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033417	0	34	-1.0	-35.44	277.12	2.38	-33.06
CON1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033418	0	33	-1.0	-36.06	270.46	-1.56	-37.62
COC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033420	0	27	-1.0	-40.65	248.08	-1.35	-42.00
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NC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL250005033422	0	27	-1.0	-35.57	256.69	-1.14	-36.71
O=C(NCC1=NC(=O)O[N-]1)C1(NC2=CC=CC=C2)CC1	REAL250005033423	0	33	-1.0	-37.65	286.60	1.45	-36.20
CN1N=C(C2CC2)N=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033424	0	33	-1.0	-42.98	294.31	1.17	-41.81
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NC=NC=C2C1	REAL250005033425	0	32	-1.0	-36.74	275.03	1.39	-35.35
CC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1(F)Cl	REAL250005033426	0	27	-1.0	-34.36	256.19	1.28	-33.08
O=C(CC1=C2C=CC=CN2N=C1)NCC1=NC(=O)O[N-]1	REAL250005033427	0	30	-1.0	-43.03	273.49	1.53	-41.50
CC1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL250005033428	0	34	-1.0	-39.49	286.00	1.06	-38.43
O=C(CC1=CC=C2OCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL250005033429	0	35	-1.0	-39.23	299.45	2.36	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=CC=C(F)C=C12	REAL250005033430	0	27	-1.0	-39.11	256.22	1.45	-37.66
CC(C)CN1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033431	0	33	-1.0	-35.56	282.66	1.17	-34.39
O=C(NCC1=NC(=O)O[N-]1)C1CCCCC1C1CC1	REAL250005033432	0	37	-1.0	-35.11	292.34	3.26	-31.85
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2F)CCC1	REAL250005033433	0	34	-1.0	-38.02	292.43	3.37	-34.65
CC(C)(C)OC(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033434	0	38	-1.0	-41.37	317.61	2.35	-39.02
O=C(CN1C=CC2=CC=C(F)C=C21)NCC1=NC(=O)O[N-]1	REAL250005033435	0	31	-1.0	-40.44	285.32	3.27	-37.17
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCOCC2=C1	REAL250005033436	0	29	-1.0	-42.42	259.48	-1.94	-44.36
CC(C)=CCCC(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033437	0	39	-1.0	-35.59	315.87	3.52	-32.07
CC1(C)CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2O1	REAL250005033438	0	35	-1.0	-37.62	298.53	2.31	-35.31
CC(C)(C)OC(=O)COCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033439	0	36	-1.0	-44.58	309.73	1.53	-43.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=NC=C21	REAL250005033440	0	29	-1.0	-40.26	257.70	1.51	-38.75
C=CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005033441	0	27	-1.0	-42.82	256.56	-1.22	-44.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL250005033442	0	33	-1.0	-39.31	292.88	2.91	-36.40
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CCC2)N=N1	REAL250005033443	0	30	-1.0	-41.94	267.68	-0.65	-42.59
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033444	0	36	-1.0	-35.85	295.64	2.67	-33.18
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC2=CC=CC=C21	REAL250005033445	0	34	-1.0	-38.17	282.35	3.53	-34.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)C1CC1	REAL250005033446	0	35	-1.0	-46.30	296.46	1.90	-44.40
COC(=O)C12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C2	REAL250005033447	0	31	-1.0	-37.09	279.12	1.28	-35.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(O)=CC=C21	REAL250005033448	0	31	-1.0	-39.49	273.62	0.47	-39.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CNC=N2)C=C1	REAL250005033449	0	31	-1.0	-42.69	279.25	2.27	-40.42
COC1=CC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)N2C=C1	REAL250005033450	0	31	-1.0	-39.94	276.20	0.66	-39.28
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(O)C=C2O1	REAL250005033451	0	31	-1.0	-39.07	279.88	-1.71	-40.78
CC(C)(C)OC(=O)C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033452	0	38	-1.0	-39.76	310.74	2.94	-36.82
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL250005033453	0	41	-1.0	-39.65	329.45	2.56	-37.09
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005033455	0	25	-1.0	-37.00	248.96	0.25	-36.75
CC1=NN(C(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033456	0	33	-1.0	-37.46	284.43	0.79	-36.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)N=C1	REAL250005033457	0	26	-1.0	-37.94	249.25	0.19	-37.75
O=C(NCC1=NC(=O)O[N-]1)C1=C2OCCOC2=CS1	REAL250005033458	0	27	-1.0	-41.02	256.03	-0.47	-41.49
O=C(CCCC1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL250005033459	0	33	-1.0	-39.19	299.28	3.37	-35.82
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=CN=C1	REAL250005033460	0	36	-1.0	-37.44	303.00	3.19	-34.25
CN1C(Cl)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033461	0	24	-1.0	-35.54	237.63	-0.10	-35.64
CC(CC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033462	0	34	-1.0	-37.88	303.35	3.40	-34.48
CC(C)(C)OC(=O)CCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033463	0	41	-1.0	-38.65	339.11	3.13	-35.52
C[C@H](NC(=O)C1=CC=CO1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033464	0	31	-1.0	-38.94	283.88	-1.61	-40.55
CN1C(=O)CSC1=CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033465	0	27	-1.0	-38.42	254.36	-0.51	-38.93
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CC(C)(C)N1CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033497	1	35	-1.0	-37.52	279.30	-1.64	-39.16
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CC(C)(O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033501	0	40	-1.0	-36.92	306.88	-0.28	-37.20
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CC(COCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005033504	0	37	-1.0	-38.26	318.54	3.42	-34.84
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CC(CC(=O)NCC1=NC(=O)O[N-]1)N1C=CN=C1	REAL250005033509	0	30	-1.0	-37.29	263.31	1.66	-35.63
CCN1C=CC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033510	0	30	-1.0	-43.42	269.31	0.35	-43.07
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CSC1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033513	0	27	-1.0	-42.94	253.20	0.31	-42.63
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CSC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033515	0	27	-1.0	-38.73	261.83	0.49	-38.24
CC(=O)NCC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033516	0	33	-1.0	-43.00	279.55	-1.45	-44.45
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL250005033517	0	30	-1.0	-35.80	278.42	2.79	-33.01
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COC(CC(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL250005033519	0	27	-1.0	-35.51	253.73	-0.36	-35.87
CSCC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033520	0	31	-1.0	-36.04	278.79	1.90	-34.14
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CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033522	0	38	-1.0	-40.64	322.55	-0.75	-41.39
NC(=O)C1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033523	0	27	-1.0	-50.70	258.59	-3.44	-54.14
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL250005033524	0	34	-1.0	-36.97	294.16	0.15	-36.82
CC(C)(C)N1N=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033525	0	31	-1.0	-40.53	278.33	-1.20	-41.73
O=C(CC12CCCCC1C2(F)F)NCC1=NC(=O)O[N-]1	REAL250005033526	0	34	-1.0	-34.48	282.47	2.48	-32.00
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](C2CCC2)CC1	REAL250005033527	0	40	-1.0	-35.08	314.58	3.90	-31.18
O=C(NCC1=NC(=O)O[N-]1)C1=C2C(Cl)=CC=CN2N=C1	REAL250005033528	0	27	-1.0	-43.99	258.64	1.29	-42.70
CC(=O)NC(CCC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033529	0	39	-1.0	-43.66	318.74	1.30	-42.36
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C#N	REAL250005033530	0	29	-1.0	-36.85	270.74	0.76	-36.09
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CN2C=C1	REAL250005033531	0	30	-1.0	-48.82	270.66	2.99	-45.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=NC=C12	REAL250005033532	0	29	-1.0	-36.20	263.33	1.54	-34.66
N#CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005033533	0	34	-1.0	-42.46	278.44	1.71	-40.75
COC1=NOC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033534	0	30	-1.0	-38.05	275.08	-1.89	-39.94
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL250005033535	0	39	-1.0	-39.45	320.91	3.84	-35.61
CN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL250005033536	0	35	-1.0	-42.71	301.11	3.92	-38.79
CCCCCC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033537	0	36	-1.0	-35.31	310.82	1.18	-34.13
CC(C)[C@H](NCC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033538	0	34	-1.0	-37.47	295.44	-0.61	-38.08
CC1=CC([N+](=O)[O-])=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033539	0	28	-1.0	-37.77	268.49	0.61	-37.16
CC1(C)CC(C(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL250005033540	0	42	-1.0	-35.21	317.71	3.17	-32.04
O=C(CN1C=C(C2CC2)C=N1)NCC1=NC(=O)O[N-]1	REAL250005033541	0	31	-1.0	-41.88	277.29	1.29	-40.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1COCC2	REAL250005033542	0	32	-1.0	-38.29	269.27	1.17	-37.12
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CC2(F)F)C1	REAL250005033543	0	28	-1.0	-35.56	257.98	1.56	-34.00
COC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005033544	0	30	-1.0	-38.74	279.11	0.63	-38.11
O=C(NCC1=NC(=O)O[N-]1)C1CCN1C1CCCC1	REAL250005033545	1	36	-1.0	-34.95	282.96	-1.13	-36.08
O=C(CC1=CN=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005033546	0	32	-1.0	-40.67	283.65	2.08	-38.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL250005033547	0	27	-1.0	-40.03	260.02	0.76	-39.27
NC(=O)N=NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033548	0	30	-1.0	-40.46	282.25	-3.77	-44.23
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=S)N1C1CC1	REAL250005033549	0	29	-1.0	-39.15	265.50	1.23	-37.92
COC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033550	0	31	-1.0	-39.79	282.60	1.22	-38.57
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL250005033551	0	29	-1.0	-43.30	276.30	-2.29	-45.59
CN1N=CC(C2CCC2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033552	0	34	-1.0	-37.23	294.57	1.31	-35.92
O=C(NCC1=NC(=O)O[N-]1)C1(N2C=NN=N2)CC1	REAL250005033553	0	26	-1.0	-37.64	246.13	-0.88	-38.52
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CSC2=NC=N1	REAL250005033554	0	25	-1.0	-38.20	246.85	0.36	-37.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1C(F)F	REAL250005033555	0	24	-1.0	-40.05	229.54	-0.53	-40.58
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=NOC=C2)OC=N1	REAL250005033556	0	26	-1.0	-48.03	250.55	-2.77	-50.80
O=C(CCCC1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL250005033557	0	32	-1.0	-39.42	283.48	1.53	-37.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CF)C=C1	REAL250005033558	0	27	-1.0	-37.83	249.11	1.87	-35.96
COC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOC1	REAL250005033559	0	32	-1.0	-37.61	272.39	-1.00	-38.61
CC(C)(C)N1N=NC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033560	0	34	-1.0	-42.68	299.11	-0.70	-43.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2COCCC2=C1	REAL250005033561	0	32	-1.0	-37.82	274.88	1.15	-36.67
COCCCOCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033562	0	34	-1.0	-36.80	296.43	-1.34	-38.14
COC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033563	0	35	-1.0	-38.00	303.15	2.38	-35.62
COCC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033564	0	30	-1.0	-38.20	271.22	-1.02	-39.22
CN(C)C(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033565	0	40	-1.0	-46.51	312.81	1.03	-45.48
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC=N1	REAL250005033566	0	30	-1.0	-41.58	260.39	0.40	-41.18
COC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005033567	0	31	-1.0	-40.56	288.78	1.50	-39.06
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCCCC1	REAL250005033568	0	33	-1.0	-35.73	272.68	2.09	-33.64
O=C(CCC1CC1(Cl)Cl)NCC1=NC(=O)O[N-]1	REAL250005033569	0	27	-1.0	-36.95	270.29	2.08	-34.87
O=C(NCC1=NC(=O)O[N-]1)C1(N2C=NN=N2)CCOCC1	REAL250005033570	0	33	-1.0	-37.23	276.83	-1.49	-38.72
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(Cl)=C1Cl	REAL250005033571	0	23	-1.0	-34.77	244.22	0.24	-34.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2N=NN=C12	REAL250005033572	0	25	-1.0	-52.77	237.07	-0.51	-53.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CNC1=O	REAL250005033573	0	24	-1.0	-49.46	229.71	-1.67	-51.13
CC(=O)NC1=CNC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033574	0	31	-1.0	-60.44	282.71	-2.85	-63.29
CNC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005033575	0	29	-1.0	-38.51	261.39	-0.05	-38.56
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)C=NN1	REAL250005033577	0	24	-1.0	-35.09	239.19	-1.42	-36.51
CC1=NOC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL250005033578	0	30	-1.0	-37.04	274.12	1.15	-35.89
CC1CN(C)CC(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005033580	0	33	-1.0	-37.32	277.06	-1.75	-39.07
CN1C=NC2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL250005033581	0	29	-1.0	-39.65	259.12	0.44	-39.21
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCN2C=C1	REAL250005033583	0	32	-1.0	-41.57	270.09	2.28	-39.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2)C=C1	REAL250005033584	0	31	-1.0	-36.81	270.32	3.15	-33.66
COC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL250005033585	0	34	-1.0	-36.42	281.61	1.56	-34.86
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033586	0	34	-1.0	-36.77	290.88	3.60	-33.17
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2CO1	REAL250005033587	0	32	-1.0	-38.23	278.13	2.25	-35.98
COC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005033588	0	37	-1.0	-36.49	298.79	2.10	-34.39
CC(CC1=CC=CO1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033589	0	30	-1.0	-36.35	264.91	1.24	-35.11
CC1CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2O1	REAL250005033590	0	32	-1.0	-37.69	278.00	1.64	-36.05
O=C(NCC1=NC(=O)O[N-]1)C1CC2(C1)CCCCC2	REAL250005033591	0	37	-1.0	-35.43	292.13	2.93	-32.50
COCC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033592	0	28	-1.0	-37.82	268.56	-0.23	-38.05
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCO1	REAL250005033593	0	34	-1.0	-36.47	275.74	0.38	-36.09
O=C(NCC1=NC(=O)O[N-]1)C1=NOC2=C1COCC2	REAL250005033594	0	28	-1.0	-40.07	252.91	-1.35	-41.42
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CC2)N=N1	REAL250005033595	0	27	-1.0	-42.61	252.04	-1.11	-43.72
O=C(CC1NC(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005033596	0	32	-1.0	-42.37	285.64	-0.52	-42.89
O=C(NCC1=NC(=O)O[N-]1)C1CCC2C(C1)C2(F)F	REAL250005033597	0	31	-1.0	-37.51	263.55	2.03	-35.48
CC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=NC=C1Cl	REAL250005033598	0	29	-1.0	-39.83	274.98	1.20	-38.63
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(F)(F)CC1	REAL250005033599	0	36	-1.0	-35.30	287.10	2.24	-33.06
CN1N=CC(C(F)(F)F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033600	0	27	-1.0	-36.78	267.29	-0.29	-37.07
CC1=CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033601	0	34	-1.0	-36.25	275.22	2.18	-34.07
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033602	0	34	-1.0	-35.98	287.11	0.58	-35.40
COC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033603	0	35	-1.0	-39.68	294.74	-0.04	-39.72
O=C(CCC1=CC=CN=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005033604	0	29	-1.0	-39.43	274.82	1.06	-38.37
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005033605	0	37	-1.0	-38.46	288.68	1.36	-37.10
CC(C)C1=NC=CN1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033606	0	33	-1.0	-39.84	288.34	1.61	-38.23
O=C(NCC1=NC(=O)O[N-]1)C1CN(C2CCOC2)C1	REAL250005033607	1	34	-1.0	-37.96	283.82	-3.10	-41.06
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL250005033608	0	34	-1.0	-40.39	301.71	4.11	-36.28
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2CCCCCN12	REAL250005033609	0	34	-1.0	-39.09	277.23	1.41	-37.68
CN(CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033610	0	38	-1.0	-36.76	318.63	1.64	-35.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CSC=C2S1	REAL250005033611	0	24	-1.0	-39.78	251.29	1.41	-38.37
CC1=CC=CC=C1CC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033612	0	36	-1.0	-35.77	298.57	3.48	-32.29
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(C(F)F)=C1	REAL250005033613	0	27	-1.0	-36.04	258.30	0.84	-35.20
CC1=CC=C2OC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL250005033614	0	33	-1.0	-40.70	295.06	2.76	-37.94
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005033615	0	31	-1.0	-36.98	283.97	1.95	-35.03
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2COCCN12	REAL250005033616	0	29	-1.0	-36.26	253.34	-1.15	-37.41
N#CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005033617	0	32	-1.0	-41.63	270.00	-0.63	-42.26
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)NC2CCCCC21	REAL250005033618	0	38	-1.0	-38.24	304.10	-0.39	-38.63
O=C(NCC1=NC(=O)O[N-]1)C1CC2=C(Cl)C=CC=C21	REAL250005033619	0	28	-1.0	-36.23	267.74	2.79	-33.44
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CO1	REAL250005033620	0	30	-1.0	-36.37	264.57	1.21	-35.16
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC=CC=C2CC1	REAL250005033621	0	37	-1.0	-36.58	298.53	3.96	-32.62
O=C(CC(C1CCC1)C1CCC1)NCC1=NC(=O)O[N-]1	REAL250005033622	0	40	-1.0	-35.71	310.22	3.90	-31.81
CC1=CC=C(COC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033623	0	37	-1.0	-39.24	320.62	3.54	-35.70
O=C(NCC1=NC(=O)O[N-]1)C1C2CCCCCCC21	REAL250005033624	0	37	-1.0	-35.63	281.92	2.85	-32.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NN=NN2C=C1	REAL250005033625	0	25	-1.0	-37.32	237.88	-0.84	-38.16
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C2CC2)CC1	REAL250005033626	0	37	-1.0	-35.14	297.60	3.36	-31.78
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC=CC2=NC=N1	REAL250005033627	0	25	-1.0	-39.24	248.06	0.40	-38.84
CCCCCCCCC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033628	0	44	-1.0	-35.39	352.38	4.72	-30.67
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=CC=CC=C3C21	REAL250005033629	0	32	-1.0	-38.15	272.54	3.48	-34.67
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC(F)=CC=C2C1	REAL250005033630	0	32	-1.0	-35.58	282.15	1.66	-33.92
CSC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005033631	0	28	-1.0	-36.74	266.45	0.93	-35.81
CC(C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033632	0	33	-1.0	-37.13	281.31	2.95	-34.18
CC1=CC=CC=C1COC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033633	0	37	-1.0	-39.37	316.19	3.51	-35.86
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C(F)(F)F)=C1	REAL250005033634	0	24	-1.0	-34.77	253.00	1.16	-33.61
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL250005033635	0	37	-1.0	-36.22	306.75	4.13	-32.09
COCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033636	0	34	-1.0	-41.62	302.86	-0.49	-42.11
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=NC=C1	REAL250005033637	0	32	-1.0	-36.86	275.90	1.22	-35.64
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CSC2=CN=C1	REAL250005033638	0	26	-1.0	-38.15	249.03	0.57	-37.58
CC1=CC=CC=C1COCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033639	0	34	-1.0	-39.98	296.40	2.80	-37.18
CC1=CC=CC(COCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033640	0	34	-1.0	-39.74	301.63	2.78	-36.96
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC=CC2=CC=N1	REAL250005033641	0	26	-1.0	-42.32	252.91	0.69	-41.63
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL250005033642	0	33	-1.0	-51.45	277.81	-0.02	-51.47
O=C(CN1C=CC(C(F)F)=N1)NCC1=NC(=O)O[N-]1	REAL250005033643	0	27	-1.0	-42.15	261.02	-0.02	-42.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL250005033644	0	30	-1.0	-38.96	267.97	0.26	-38.70
CC1=CN2C=CN=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033645	0	30	-1.0	-49.02	267.79	2.81	-46.21
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2(CC2)C1	REAL250005033646	0	34	-1.0	-35.21	278.32	2.60	-32.61
CCCN1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033647	0	30	-1.0	-35.59	264.69	0.39	-35.20
CC1=CC=C(COCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033648	0	34	-1.0	-39.72	301.63	2.79	-36.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)F)=CC=C1F	REAL250005033649	0	27	-1.0	-44.34	259.82	2.06	-42.28
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005033650	0	31	-1.0	-37.84	265.16	1.11	-36.73
CCC1=CNC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033651	0	30	-1.0	-52.81	266.15	-0.33	-53.14
CN1N=CC(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033652	0	24	-1.0	-36.26	243.44	-0.82	-37.08
CC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005033653	0	27	-1.0	-41.04	258.80	1.68	-39.36
CC1=CC(C)=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033654	0	33	-1.0	-37.69	288.57	3.05	-34.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL250005033655	0	36	-1.0	-37.45	298.95	1.55	-35.90
NC(=S)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033656	0	28	-1.0	-42.15	268.80	0.28	-41.87
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(F)=C1Cl	REAL250005033657	0	24	-1.0	-39.69	252.75	1.43	-38.26
CCN1N=CC(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033658	0	27	-1.0	-36.15	265.24	0.06	-36.09
COC(=O)C1=C(C)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005033659	0	30	-1.0	-37.41	280.16	0.45	-36.96
COC(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL250005033660	0	30	-1.0	-43.24	282.73	-0.15	-43.39
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CO2)=N1	REAL250005033661	0	31	-1.0	-43.14	284.80	1.58	-41.56
CSC1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033662	0	29	-1.0	-40.92	270.10	0.61	-40.31
CCCCC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005033663	0	38	-1.0	-35.68	298.70	3.01	-32.67
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC2)CC1	REAL250005033664	0	34	-1.0	-35.19	278.26	2.61	-32.58
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC(F)=CC=C21	REAL250005033665	0	31	-1.0	-36.03	273.00	2.88	-33.15
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005033666	0	37	-1.0	-37.25	312.07	4.28	-32.97
CCOCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033667	0	34	-1.0	-38.62	303.21	-0.30	-38.92
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)SC=C1	REAL250005033668	0	24	-1.0	-38.03	245.94	1.16	-36.87
CN1N=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005033669	0	24	-1.0	-37.79	261.02	-0.49	-38.28
CN1C=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033671	0	24	-1.0	-42.47	241.86	-0.65	-43.12
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCC2)CCNC1=O	REAL250005033672	0	38	-1.0	-40.10	295.45	-0.63	-40.73
O=C(CC1=CC=C(F)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005033673	0	27	-1.0	-37.37	268.34	2.29	-35.08
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)SC=C1	REAL250005033674	0	21	-1.0	-36.95	226.14	0.56	-36.39
CC1(C)CC1(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005033675	0	37	-1.0	-37.69	306.26	3.83	-33.86
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL250005033676	0	28	-1.0	-35.97	264.25	2.09	-33.88
O=C(NCC1=NC(=O)O[N-]1)C1=CSC=C1C(F)(F)F	REAL250005033677	0	24	-1.0	-38.92	245.63	1.04	-37.88
CN1C=C(CCC(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005033679	0	29	-1.0	-43.15	263.93	-0.99	-44.14
CCOCCOCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033680	0	37	-1.0	-40.09	318.24	-0.22	-40.31
COC1=CC=CC(C(OC)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033681	0	35	-1.0	-39.31	307.57	1.16	-38.15
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005033682	0	28	-1.0	-37.36	267.22	1.04	-36.32
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=N2)CC1	REAL250005033683	0	30	-1.0	-38.41	271.71	1.25	-37.16
O=C(CC1CCCS1(=O)=O)NCC1=NC(=O)O[N-]1	REAL250005033684	0	30	-1.0	-50.14	266.59	-2.35	-52.49
CC1=CN(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033685	0	33	-1.0	-38.65	282.50	1.92	-36.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC=NC2=C1F	REAL250005033686	0	27	-1.0	-46.68	251.30	0.76	-45.92
CC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005033687	0	30	-1.0	-42.74	273.88	-0.37	-43.11
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C2C(F)=CC=CN21	REAL250005033688	0	27	-1.0	-42.22	254.88	1.63	-40.59
O=C(C=CC=C(Cl)Cl)NCC1=NC(=O)O[N-]1	REAL250005033689	0	22	-1.0	-35.79	242.46	0.97	-34.82
CN1CCCCC(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005033690	0	34	-1.0	-37.85	267.55	0.71	-37.14
CN(CC(=O)NCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005033691	1	37	-1.0	-35.89	292.87	0.29	-35.60
CN1C=NC(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005033692	0	26	-1.0	-43.51	243.64	-0.37	-43.88
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2SC=CC2=C1	REAL250005033693	0	26	-1.0	-38.34	253.07	0.52	-37.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)N=CC=C2O1	REAL250005033694	0	26	-1.0	-36.94	264.00	0.12	-36.82
O=C(NCC1=NC(=O)O[N-]1)C1=CSC=C1Cl	REAL250005033695	0	21	-1.0	-37.39	226.18	0.49	-36.90
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1CCOCC1	REAL250005033696	0	35	-1.0	-37.44	290.85	1.00	-36.44
CCC(CC(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL250005033697	0	38	-1.0	-35.11	287.54	2.11	-33.00
CCC1=CC=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033698	0	30	-1.0	-37.22	261.49	2.49	-34.73
COCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005033699	0	28	-1.0	-38.32	263.00	-0.20	-38.52
CN1C=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL250005033700	0	31	-1.0	-40.43	274.79	2.79	-37.64
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CCC1	REAL250005033701	0	38	-1.0	-39.62	303.34	1.71	-37.91
COC(=O)C1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033702	0	30	-1.0	-38.24	278.16	-0.66	-38.90
COC(=O)[C@@H]1O[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C[C@H]1C	REAL250005033703	0	34	-1.0	-41.67	298.25	1.21	-40.46
CC1CCN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C1	REAL250005033704	0	34	-1.0	-44.39	289.25	1.81	-42.58
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2CCOCC2)C=C1	REAL250005033705	0	35	-1.0	-41.39	299.15	-0.34	-41.73
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCC1=NC(=O)O[N-]1)OC2=O	REAL250005033706	0	37	-1.0	-42.09	298.72	1.60	-40.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)O1	REAL250005033707	0	34	-1.0	-37.87	302.15	3.59	-34.28
O=C(NCC1=NC(=O)O[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL250005033708	0	32	-1.0	-43.12	281.25	-0.57	-43.69
O=C(CC1CCC(F)(F)CC1)NCC1=NC(=O)O[N-]1	REAL250005033709	0	33	-1.0	-36.31	276.70	2.13	-34.18
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033710	0	34	-1.0	-37.00	295.07	3.74	-33.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)O1	REAL250005033711	0	24	-1.0	-38.69	239.97	0.14	-38.55
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=CO1	REAL250005033712	0	23	-1.0	-40.11	229.69	-3.36	-43.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=CC=NN21	REAL250005033713	0	26	-1.0	-43.37	241.44	0.26	-43.11
NC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033714	0	30	-1.0	-40.96	277.56	-3.22	-44.18
O=C(CC1=CC=CC2=CN=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005033715	0	32	-1.0	-40.42	283.55	2.09	-38.33
O=C(NCC1=NC(=O)O[N-]1)C1=CN2CCOCC2=N1	REAL250005033716	0	29	-1.0	-44.32	259.37	-1.15	-45.47
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C(F)C=C1	REAL250005033717	0	31	-1.0	-37.89	282.11	1.69	-36.20
CC(=O)N[C@@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005033718	0	33	-1.0	-37.24	275.20	-1.28	-38.52
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)NC(C2CC2)=C1	REAL250005033719	0	36	-1.0	-40.63	308.90	3.17	-37.46
CC(C)(C)OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033720	0	36	-1.0	-38.49	304.54	1.43	-37.06
O=C(CC1=CC2=CC=NC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005033721	0	32	-1.0	-39.59	286.76	2.21	-37.38
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C#N)C=C1	REAL250005033722	0	34	-1.0	-37.55	297.56	3.05	-34.50
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C#N)C=C1	REAL250005033723	0	31	-1.0	-37.61	282.49	2.65	-34.96
N#CC1=CC=C(COCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033724	0	32	-1.0	-41.08	301.08	2.51	-38.57
COC1=CC(COCC(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005033725	0	34	-1.0	-42.01	307.32	-1.17	-43.18
COC1=CC=C(COCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033726	0	34	-1.0	-41.60	307.27	-1.19	-42.79
O=C(COCC1=CC(=O)NC=C1)NCC1=NC(=O)O[N-]1	REAL250005033727	0	31	-1.0	-54.10	282.78	-0.87	-54.97
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1F	REAL250005033728	0	27	-1.0	-38.97	252.24	1.84	-37.13
CSC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005033729	0	29	-1.0	-37.41	288.48	2.51	-34.90
CC1=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C=C1	REAL250005033730	0	30	-1.0	-45.11	272.80	2.17	-42.94
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCCC2)=N1	REAL250005033731	0	34	-1.0	-37.66	292.72	-0.98	-38.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CC=C2S1	REAL250005033732	0	26	-1.0	-39.70	255.13	0.57	-39.13
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C2C=CC=CN21	REAL250005033733	0	27	-1.0	-45.08	248.46	1.57	-43.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1CC1CCC1	REAL250005033734	0	34	-1.0	-34.79	288.33	1.83	-32.96
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=NN1	REAL250005033735	0	27	-1.0	-38.92	265.23	-0.86	-39.78
CC(C)C1=NOC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033736	0	29	-1.0	-35.54	259.92	0.40	-35.14
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005033737	0	27	-1.0	-37.33	252.00	1.51	-35.82
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CO1	REAL250005033738	0	28	-1.0	-42.14	261.90	0.27	-41.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)F)=C1F	REAL250005033739	0	27	-1.0	-44.93	258.67	2.02	-42.91
CC1(Br)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033740	0	24	-1.0	-34.08	234.02	0.83	-33.25
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CCOC2)N=N1	REAL250005033741	0	34	-1.0	-45.53	299.74	-1.71	-47.24
O=C(CCC1=NN=C(C(F)F)O1)NCC1=NC(=O)O[N-]1	REAL250005033742	0	28	-1.0	-39.15	272.40	-4.28	-43.43
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCO1	REAL250005033743	0	37	-1.0	-38.27	289.73	1.85	-36.42
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL250005033744	0	30	-1.0	-43.58	272.63	1.02	-42.56
CC1OC(C)C(C(=O)NCC2=NC(=O)O[N-]2)C1C	REAL250005033745	0	34	-1.0	-35.90	267.50	-0.08	-35.98
O=C(NCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(F)C=C1	REAL250005033746	0	34	-1.0	-37.05	295.89	3.54	-33.51
CN1C(=O)CN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005033747	0	29	-1.0	-43.64	268.53	-1.32	-44.96
O=C(NCC1=NC(=O)O[N-]1)[C@]12CCC[C@H]1OCC2	REAL250005033748	0	32	-1.0	-35.85	261.81	-0.09	-35.94
C[C@@H]1C[C@]1(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL250005033749	0	39	-1.0	-36.51	316.94	3.01	-33.50
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C(F)F)=C1	REAL250005033750	0	24	-1.0	-37.78	239.56	0.14	-37.64
CSCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033751	0	36	-1.0	-36.85	316.46	3.09	-33.76
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CSC=C1	REAL250005033752	0	28	-1.0	-36.25	264.40	2.03	-34.22
CCOC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033753	0	37	-1.0	-37.92	318.51	2.76	-35.16
CC1=CN2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2=N1	REAL250005033754	0	34	-1.0	-41.26	287.84	1.80	-39.46
O=C(CC1=C2CCCCN2N=C1)NCC1=NC(=O)O[N-]1	REAL250005033755	0	34	-1.0	-40.98	289.50	1.12	-39.86
CC1=CN2C=C(CC(=O)NCC3=NC(=O)O[N-]3)N=C2S1	REAL250005033756	0	30	-1.0	-47.08	284.20	2.37	-44.71
CC(=O)N1CCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033757	0	31	-1.0	-46.45	266.97	-0.53	-46.98
CC1(C(=O)NCC2=NC(=O)O[N-]2)COC2=CC=CC=C2O1	REAL250005033758	0	33	-1.0	-39.43	286.74	0.94	-38.49
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL250005033759	0	34	-1.0	-36.72	266.41	1.94	-34.78
COC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005033760	0	30	-1.0	-37.23	260.61	-0.71	-37.94
O=C(CC1CC2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL250005033761	0	32	-1.0	-41.39	280.68	1.87	-39.52
CC(C)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCNC1=O	REAL250005033762	0	37	-1.0	-43.30	296.70	-1.29	-44.59
O=C(CC1=CC=C(O)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005033763	0	28	-1.0	-38.85	272.80	-0.57	-39.42
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(F)(F)CC1	REAL250005033764	0	33	-1.0	-34.95	270.39	1.82	-33.13
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CCCC2)N=C1	REAL250005033765	0	37	-1.0	-39.29	312.81	2.35	-36.94
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033766	0	31	-1.0	-38.78	281.36	-1.27	-40.05
COCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005033767	0	34	-1.0	-38.67	297.18	-0.79	-39.46
CC1=CC=CC(COC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033768	0	37	-1.0	-39.31	321.42	3.48	-35.83
CC1(C)[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC=C1	REAL250005033769	0	37	-1.0	-36.18	305.60	4.08	-32.10
COC1=CC(C)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005033770	0	34	-1.0	-37.75	286.57	1.78	-35.97
O=C(CC1(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL250005033771	0	34	-1.0	-36.95	293.10	3.70	-33.25
CCC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC=C1	REAL250005033772	0	34	-1.0	-36.76	297.31	2.39	-34.37
COC1=CC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033773	0	27	-1.0	-44.95	245.85	-0.09	-45.04
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL250005033774	0	29	-1.0	-39.05	256.05	-0.35	-39.40
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=C(Cl)C=C21	REAL250005033775	0	28	-1.0	-37.44	267.68	2.82	-34.62
CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005033776	0	30	-1.0	-38.03	265.79	0.27	-37.76
N#CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033777	0	27	-1.0	-40.18	261.57	0.24	-39.94
O=C(CCC1=CC=C(C(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL250005033778	0	33	-1.0	-38.24	301.31	3.47	-34.77
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C(F)F)=C1	REAL250005033779	0	26	-1.0	-39.51	250.34	0.19	-39.32
CCOC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOC1	REAL250005033780	0	35	-1.0	-37.67	287.29	0.11	-37.56
CC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C(C)(C)C	REAL250005033781	0	38	-1.0	-35.98	285.68	2.07	-33.91
COC1=CC=CC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033782	0	37	-1.0	-39.66	306.27	1.96	-37.70
CC(C)(C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033783	0	39	-1.0	-36.86	317.59	4.06	-32.80
CCOC1COCCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033784	0	38	-1.0	-37.01	309.05	-0.01	-37.02
N#CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005033785	0	25	-1.0	-41.26	250.82	1.19	-40.07
CN1C=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=N1	REAL250005033786	0	34	-1.0	-41.09	301.10	2.33	-38.76
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C(C(F)F)=C1	REAL250005033787	0	30	-1.0	-39.24	278.65	0.36	-38.88
O=C(CC1=CN2C=C(F)C=CC2=N1)NCC1=NC(=O)O[N-]1	REAL250005033788	0	30	-1.0	-43.92	278.28	2.41	-41.51
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCNC1=O	REAL250005033789	0	31	-1.0	-41.27	260.85	-2.57	-43.84
CCOC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033790	0	36	-1.0	-40.93	305.15	2.21	-38.72
COC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL250005033791	0	33	-1.0	-37.26	291.89	2.24	-35.02
COC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005033792	0	27	-1.0	-40.27	252.40	-1.31	-41.58
CC(C)(C)N1C=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005033793	0	36	-1.0	-54.41	294.69	1.95	-52.46
CC1=CSC2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CN12	REAL250005033794	0	30	-1.0	-47.11	283.61	2.11	-45.00
O=C(CN1C=NC=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005033795	0	34	-1.0	-40.71	297.35	3.79	-36.92
CC1=NN(CC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033796	0	33	-1.0	-37.47	284.04	1.11	-36.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN(C2CC2)C1=O	REAL250005033797	0	31	-1.0	-55.18	271.33	1.53	-53.65
O=C(CN1CCCCC(=O)C1=O)NCC1=NC(=O)O[N-]1	REAL250005033798	0	33	-1.0	-42.84	282.73	-0.11	-42.95
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCCCC(C1)C2=O	REAL250005033799	0	39	-1.0	-35.94	294.84	2.45	-33.49
CC1=CN=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033800	0	26	-1.0	-38.95	242.13	-0.13	-39.08
CC1=CC(F)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033801	0	26	-1.0	-35.77	238.82	-0.10	-35.87
CCOC1CC2(CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033802	0	35	-1.0	-37.23	298.81	1.41	-35.82
NC(=O)[C@@H]1CC[C@H](CCC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005033803	0	35	-1.0	-47.63	301.66	-2.29	-49.92
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C(F)F)N=C1	REAL250005033804	0	24	-1.0	-38.95	238.75	-1.06	-40.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=NC=N1	REAL250005033805	0	25	-1.0	-34.99	253.35	0.15	-34.84
CCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005033806	0	30	-1.0	-36.76	278.09	2.41	-34.35
CCOCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033807	0	36	-1.0	-37.49	305.76	1.11	-36.38
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CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CC2)=N1	REAL250005033810	0	34	-1.0	-38.65	297.29	1.83	-36.82
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COC(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL250005033813	0	36	-1.0	-38.43	306.74	1.43	-37.00
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CC(CCC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033816	0	36	-1.0	-37.66	311.22	3.90	-33.76
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005033817	0	36	-1.0	-35.39	297.54	3.36	-32.03
COCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL250005033818	0	31	-1.0	-36.20	279.87	1.00	-35.20
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CCOC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL250005033822	0	38	-1.0	-37.12	311.49	0.65	-36.47
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CCOC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL250005033824	0	37	-1.0	-36.37	303.37	2.57	-33.80
CC1(C)CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2O1	REAL250005033825	0	35	-1.0	-38.92	298.47	2.28	-36.64
COC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033826	0	32	-1.0	-41.20	296.36	0.56	-40.64
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CCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005033828	0	30	-1.0	-39.67	263.51	0.16	-39.51
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1O	REAL250005033829	0	32	-1.0	-41.00	286.01	-1.13	-42.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL250005033830	0	35	-1.0	-36.99	303.73	3.05	-33.94
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CC2)N=C1	REAL250005033831	0	31	-1.0	-39.51	278.98	1.24	-38.27
CC1CCC2=NNC=C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033832	0	34	-1.0	-37.63	279.09	0.21	-37.42
CC1CCC2=C(C=NN2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033832	1	34	-1.0	-41.45	278.21	0.53	-40.92
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL250005033833	0	32	-1.0	-38.37	261.30	0.85	-37.52
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CSC1=NC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033835	0	26	-1.0	-40.82	251.60	-1.27	-42.09
CN1N=C2CCSCC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033836	0	32	-1.0	-37.36	290.24	0.76	-36.60
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CC2)O1	REAL250005033837	0	27	-1.0	-37.99	252.08	-1.59	-39.58
CC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005033838	0	34	-1.0	-40.67	291.45	1.62	-39.05
CN1CCC(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005033839	0	31	-1.0	-47.22	265.80	0.72	-46.50
CCC1CCCC1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033840	0	36	-1.0	-36.21	280.75	2.35	-33.86
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CCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1CC1	REAL250005033845	0	34	-1.0	-39.41	291.83	1.59	-37.82
CC1=CN=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033846	0	26	-1.0	-37.28	250.24	0.35	-36.93
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL250005033847	0	33	-1.0	-38.57	285.78	2.69	-35.88
COC(=O)C1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033848	0	30	-1.0	-45.71	281.99	-0.16	-45.87
CC1=NC(C(C)C)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033849	0	34	-1.0	-35.11	290.88	0.89	-34.22
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O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NN=CN2CC1	REAL250005033852	0	33	-1.0	-44.64	275.50	2.60	-42.04
CC1(C(=O)NCC2=NC(=O)O[N-]2)OCCC2=CC=CC=C21	REAL250005033853	0	35	-1.0	-37.82	290.79	1.61	-36.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=NSN=C21	REAL250005033854	0	25	-1.0	-41.91	245.35	-0.50	-42.41
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C=CNC2=C1	REAL250005033855	0	27	-1.0	-42.62	247.10	-0.83	-43.45
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC=C1C1=CC=CC=N1	REAL250005033856	0	32	-1.0	-49.85	287.75	1.38	-48.47
CC1=CC=C(Cl)C=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033857	0	31	-1.0	-37.83	291.47	2.85	-34.98
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)C=CS1	REAL250005033858	0	24	-1.0	-41.73	241.03	0.98	-40.75
CCOC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005033859	0	35	-1.0	-39.68	296.41	1.46	-38.22
CC1(C)CCC(CC(=O)NCC2=NC(=O)O[N-]2)OC1	REAL250005033860	0	37	-1.0	-37.85	296.64	1.75	-36.10
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)CC(F)F	REAL250005033861	0	32	-1.0	-36.37	263.49	1.35	-35.02
O=C(CN1CCCCS1(=O)=O)NCC1=NC(=O)O[N-]1	REAL250005033862	0	32	-1.0	-48.47	283.28	-2.57	-51.04
CC1=CC2=CC=CC=C2N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033863	0	32	-1.0	-42.66	280.53	2.16	-40.50
CCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005033864	0	31	-1.0	-40.95	268.35	2.02	-38.93
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2=C(F)C=CC=C21	REAL250005033865	0	32	-1.0	-37.62	280.24	1.71	-35.91
O=C(CN1N=CC2=CC=CN=C21)NCC1=NC(=O)O[N-]1	REAL250005033866	0	29	-1.0	-45.33	269.33	0.51	-44.82
CC(C)N1C(=O)CC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033867	0	34	-1.0	-39.54	283.42	0.74	-38.80
CCC(CC1=CC=CC(C)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033868	0	39	-1.0	-36.03	319.43	4.08	-31.95
CC(C)(C)OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033869	0	37	-1.0	-38.62	301.49	2.18	-36.44
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033870	0	32	-1.0	-38.60	289.18	2.60	-36.00
CC(C)OC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005033871	0	34	-1.0	-35.97	280.98	0.32	-35.65
CO[C@]12CCC[C@@]1(C(=O)NCC1=NC(=O)O[N-]1)CCO2	REAL250005033872	0	36	-1.0	-39.91	286.85	0.97	-38.94
CC1=CC=C2OCC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL250005033873	0	33	-1.0	-38.09	288.39	2.23	-35.86
COC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033874	0	30	-1.0	-41.74	264.55	0.57	-41.17
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005033875	0	37	-1.0	-41.58	319.44	1.64	-39.94
COC(=O)[C@@H]1CO[C@H](CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033876	0	37	-1.0	-40.62	318.14	0.52	-40.10
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033877	0	39	-1.0	-39.37	322.16	2.69	-36.68
O=C(CC1=CC=C(Cl)C=N1)NCC1=NC(=O)O[N-]1	REAL250005033878	0	26	-1.0	-39.77	255.95	0.61	-39.16
O=C(CC1=CC=CC2=NC=CC=C12)NCC1=NC(=O)O[N-]1	REAL250005033879	0	32	-1.0	-40.32	283.50	1.96	-38.36
O=C(CC1=CC2=NC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL250005033880	0	32	-1.0	-42.57	286.86	2.09	-40.48
CC1(C)CCC2=C(C1)C(C(=O)NCC1=NC(=O)O[N-]1)=NO2	REAL250005033881	0	36	-1.0	-40.39	297.39	1.98	-38.41
CCC1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033882	0	30	-1.0	-35.70	264.97	0.13	-35.57
O=C(CC1=CSC(C2CC2)=N1)NCC1=NC(=O)O[N-]1	REAL250005033883	0	30	-1.0	-39.74	282.24	0.91	-38.83
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL250005033884	0	27	-1.0	-39.88	268.91	0.85	-39.03
CC(C)(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL250005033885	0	32	-1.0	-39.78	283.89	-1.71	-41.49
O=C(CCC1CCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005033886	0	37	-1.0	-37.04	307.77	4.20	-32.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=N1	REAL250005033887	0	26	-1.0	-38.11	257.40	0.32	-37.79
CC1(C)COC(CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033888	0	37	-1.0	-36.90	304.13	0.96	-35.94
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL250005033889	0	32	-1.0	-36.69	267.26	1.41	-35.28
CC(C)(C)C12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C2	REAL250005033890	0	37	-1.0	-35.53	306.65	3.10	-32.43
O=C(COC1=CC=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005033891	0	27	-1.0	-39.87	252.16	-0.95	-40.82
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](OC(F)F)CC1	REAL250005033892	0	34	-1.0	-37.22	288.57	0.57	-36.65
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL250005033893	0	32	-1.0	-37.51	267.58	1.45	-36.06
CCOC(=O)N(C)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033894	0	37	-1.0	-42.98	320.37	0.79	-42.19
O=C(CC1CCC2(CCC2)CO1)NCC1=NC(=O)O[N-]1	REAL250005033895	0	38	-1.0	-38.05	304.74	2.36	-35.69
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCC(C1)S2	REAL250005033896	0	32	-1.0	-36.00	262.07	1.90	-34.10
CN1C(=O)CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033897	0	31	-1.0	-39.28	259.98	-0.72	-40.00
O=C(CNC(=O)N1CCCC1)NCC1=NC(=O)O[N-]1	REAL250005033898	0	33	-1.0	-39.55	284.12	-1.58	-41.13
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1CC1	REAL250005033899	0	32	-1.0	-35.58	270.64	0.56	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1=CSC=C1C(F)F	REAL250005033900	0	24	-1.0	-35.65	241.74	0.90	-34.75
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL250005033901	0	31	-1.0	-36.52	283.71	3.13	-33.39
CC(C)CN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033902	0	33	-1.0	-42.93	285.23	1.25	-41.68
O=C(CCCCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005033903	0	36	-1.0	-36.83	310.14	4.10	-32.73
CC1(C)COC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033904	0	34	-1.0	-38.84	282.47	0.87	-37.97
COC(=O)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005033905	0	26	-1.0	-46.00	265.66	-1.16	-47.16
CCNC1=CC=C(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033906	0	35	-1.0	-37.44	293.70	1.72	-35.72
CCN1N=C(C2CC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033907	0	34	-1.0	-35.77	294.95	1.73	-34.04
CC1=CN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2N=C1	REAL250005033908	0	29	-1.0	-46.83	266.70	0.60	-46.23
O=C(CC1CCC2(CCC2)O1)NCC1=NC(=O)O[N-]1	REAL250005033909	0	35	-1.0	-39.96	289.91	1.79	-38.17
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2(CCC2)C1	REAL250005033910	0	35	-1.0	-35.60	282.62	0.76	-34.84
O=C(NCC1=NC(=O)O[N-]1)C1CCC=CCCC1	REAL250005033911	0	34	-1.0	-34.98	264.25	2.21	-32.77
CN1N=C2CCCC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033912	0	31	-1.0	-38.70	271.90	0.55	-38.15
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005033913	0	32	-1.0	-46.67	286.15	2.89	-43.78
CC1=CN=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033914	0	26	-1.0	-36.10	238.99	-0.10	-36.20
O=C(NCC1=NC(=O)O[N-]1)C1CC2(C1)CC(F)(F)C2	REAL250005033915	0	31	-1.0	-36.93	274.56	2.06	-34.87
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1C(=O)NCCC2	REAL250005033916	0	32	-1.0	-47.95	279.64	-1.09	-49.04
N#CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=CC=C21	REAL250005033917	0	29	-1.0	-38.69	274.28	1.40	-37.29
CCSC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033918	0	34	-1.0	-39.13	304.69	3.48	-35.65
CC1=NC(C)=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005033919	0	29	-1.0	-38.64	272.00	0.22	-38.42
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CCN1C=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033921	0	28	-1.0	-37.41	264.88	1.88	-35.53
CC1C2=CNN=C2CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033922	0	34	-1.0	-40.91	276.84	-0.01	-40.92
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCSC1	REAL250005033923	0	29	-1.0	-35.22	253.23	-0.43	-35.65
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCS(=O)(=O)C1	REAL250005033924	0	31	-1.0	-42.02	272.52	-4.17	-46.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1C(F)F	REAL250005033925	0	26	-1.0	-40.20	241.81	0.20	-40.00
CC(C)(C)OC(=O)NOCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033926	0	35	-1.0	-43.77	304.67	-0.78	-44.55
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033927	0	33	-1.0	-43.82	284.39	1.51	-42.31
CC12CC3CC(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C3)C2	REAL250005033928	0	41	-1.0	-35.95	306.11	3.49	-32.46
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCCC2)CC1	REAL250005033929	0	37	-1.0	-36.33	290.94	3.30	-33.03
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1CC2	REAL250005033930	0	35	-1.0	-36.86	280.61	2.11	-34.75
COC1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN21	REAL250005033931	0	31	-1.0	-45.89	277.92	-0.45	-46.34
COC(=O)C1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005033932	0	30	-1.0	-37.49	280.17	0.57	-36.92
CC1CCC2=C(C1)C(C(=O)NCC1=NC(=O)O[N-]1)=NN2	REAL250005033933	0	34	-1.0	-41.85	286.07	0.48	-41.37
CC1CCC2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL250005033933	1	34	-1.0	-36.15	284.95	0.54	-35.61
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033934	0	32	-1.0	-37.39	271.14	-0.05	-37.44
NC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005033935	0	31	-1.0	-44.47	266.19	-2.74	-47.21
O=C(NCC1=NC(=O)O[N-]1)C1=NSC2=CC=CC=C21	REAL250005033936	0	26	-1.0	-40.96	251.83	1.05	-39.91
CC(C)(C)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005033937	0	40	-1.0	-44.84	311.41	1.49	-43.35
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005033938	0	34	-1.0	-37.54	294.08	3.86	-33.68
CC(=O)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033939	0	28	-1.0	-41.05	256.77	-0.35	-41.40
COC1=CC(OC)=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005033940	0	30	-1.0	-36.75	278.59	-4.46	-41.21
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCS1(=O)=O	REAL250005033941	0	30	-1.0	-44.99	263.52	-1.37	-46.36
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCC(=O)C2=C1	REAL250005033942	0	30	-1.0	-44.11	271.54	-0.47	-44.58
CC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005033943	0	32	-1.0	-37.81	278.59	2.17	-35.64
CCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL250005033944	0	34	-1.0	-42.29	298.81	1.68	-40.61
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033945	0	36	-1.0	-41.89	290.73	2.38	-39.51
COC1=NN(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033946	0	28	-1.0	-42.21	258.09	-2.90	-45.11
COC1=CC=CC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033947	0	31	-1.0	-38.24	284.86	1.12	-37.12
CC1=CC(C#N)=CC(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033948	0	34	-1.0	-37.77	300.60	3.13	-34.64
CC1=NNC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C12	REAL250005033949	0	30	-1.0	-40.64	267.52	0.44	-40.20
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2(CCCC2)C1	REAL250005033950	0	38	-1.0	-35.70	296.89	1.33	-34.37
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1C#N	REAL250005033951	0	31	-1.0	-35.26	280.17	2.44	-32.82
CCCCCC(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033952	0	36	-1.0	-37.59	309.20	-0.43	-38.02
COC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC=C1	REAL250005033953	0	32	-1.0	-38.76	284.46	0.29	-38.47
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005033954	0	33	-1.0	-38.10	294.19	-0.77	-38.87
CNC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033955	0	33	-1.0	-48.44	292.36	-1.44	-49.88
CC(C)(NC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033956	0	35	-1.0	-35.47	286.32	1.12	-34.35
CC1=CC(C)=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005033957	0	33	-1.0	-47.79	288.31	-0.23	-48.02
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCCC2)=N1	REAL250005033958	0	37	-1.0	-38.64	308.79	1.98	-36.66
CC1CCC(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033959	0	41	-1.0	-37.27	326.28	3.27	-34.00
CC(SC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033960	0	31	-1.0	-36.23	289.26	2.73	-33.50
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)SC=C1	REAL250005033961	0	24	-1.0	-41.41	240.25	1.05	-40.36
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005033962	0	37	-1.0	-36.66	319.36	4.75	-31.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=N2)O1	REAL250005033963	0	30	-1.0	-43.80	283.49	-0.33	-44.13
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=N2)N=C1	REAL250005033964	0	30	-1.0	-41.22	279.21	1.54	-39.68
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005033965	0	30	-1.0	-37.31	281.21	2.84	-34.47
CC1=NN(CCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005033966	0	36	-1.0	-42.21	312.19	1.59	-40.62
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC2=CC=CN=C21	REAL250005033967	0	28	-1.0	-48.44	257.60	0.13	-48.31
CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCS(=O)(=O)N1	REAL250005033968	0	32	-1.0	-47.23	277.10	-4.07	-51.30
CC(C)C1CC(C(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005033969	0	37	-1.0	-35.73	296.99	1.01	-34.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCOC2	REAL250005033970	0	32	-1.0	-38.17	269.25	1.13	-37.04
O=C(CC1CCCC1(F)F)NCC1=NC(=O)O[N-]1	REAL250005033971	0	30	-1.0	-35.85	259.91	1.47	-34.38
COC1(C(=O)NCC2=NC(=O)O[N-]2)CS(=O)(=O)C1	REAL250005033972	0	28	-1.0	-41.92	256.38	-4.01	-45.93
O=C(CC1CCC(C2CC2)O1)NCC1=NC(=O)O[N-]1	REAL250005033973	0	35	-1.0	-39.72	294.61	2.06	-37.66
O=C(NCC1=NC(=O)O[N-]1)C1CS(=O)(=O)CC(=O)N1	REAL250005033974	0	28	-1.0	-44.37	264.33	-6.30	-50.67
O=C(NCC1=NC(=O)O[N-]1)C1CC[C@@H]2C[C@@H]2CC1	REAL250005033975	0	34	-1.0	-35.13	269.72	2.54	-32.59
CC1=CC=C(C#N)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033976	0	28	-1.0	-39.66	257.99	2.12	-37.54
O=C(NCC1=NC(=O)O[N-]1)C1(CCC2=CC=CC=C2)CC1	REAL250005033977	0	37	-1.0	-38.17	320.12	4.51	-33.66
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCOC2=CC=CC=C21	REAL250005033978	0	35	-1.0	-38.12	290.34	1.85	-36.27
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCCO1	REAL250005033979	0	35	-1.0	-39.02	295.25	1.92	-37.10
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CNC(=O)C2=N1	REAL250005033980	0	27	-1.0	-55.72	256.95	-1.47	-57.19
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN=C1F	REAL250005033981	0	27	-1.0	-36.57	252.01	-0.20	-36.77
CC1=CC(Cl)=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005033982	0	26	-1.0	-40.25	256.71	0.43	-39.82
CNC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033983	0	33	-1.0	-43.19	291.95	-1.41	-44.60
CC1=NN(CC(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033984	0	30	-1.0	-38.92	277.61	0.59	-38.33
CC(C)CN1C=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005033985	0	36	-1.0	-55.99	301.14	2.35	-53.64
CC1(C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033986	0	34	-1.0	-37.14	285.26	3.67	-33.47
CCC(C)(C)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033987	0	39	-1.0	-36.50	298.50	3.70	-32.80
CC(C)(C)CC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005033988	0	38	-1.0	-35.69	281.59	1.88	-33.81
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CCSCC1	REAL250005033989	0	29	-1.0	-36.37	260.18	0.78	-35.59
O=C(NCC1=NC(=O)O[N-]1)[C@]12C[C@H]1COC21CCC1	REAL250005033990	0	33	-1.0	-35.60	274.18	0.67	-34.93
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC2(CC1)OCCO2	REAL250005033991	0	39	-1.0	-37.95	304.85	0.55	-37.40
CC1=CC(C#N)=CC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033992	0	31	-1.0	-36.96	284.60	2.33	-34.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2)NC1=O	REAL250005033993	0	31	-1.0	-51.06	272.95	0.49	-50.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CNC=CC2=N1	REAL250005033994	0	27	-1.0	-62.17	250.93	-0.67	-62.84
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)OC2=C(F)C=C1	REAL250005033995	0	30	-1.0	-42.01	279.74	2.14	-39.87
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL250005033996	0	28	-1.0	-39.45	261.29	0.41	-39.04
CC1=C(C)N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL250005033997	0	33	-1.0	-43.14	287.37	1.92	-41.22
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033998	0	31	-1.0	-38.50	277.19	0.74	-37.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL250005033999	0	33	-1.0	-41.25	292.95	2.77	-38.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CN2C=N1	REAL250005034000	0	27	-1.0	-42.27	250.37	2.58	-39.69
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C12	REAL250005034001	0	32	-1.0	-45.61	277.93	2.39	-43.22
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=COC2=C(F)C=C1	REAL250005034002	0	27	-1.0	-37.80	252.66	1.43	-36.37
C=CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005034003	0	37	-1.0	-35.23	282.15	2.51	-32.72
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=COC2=C(Cl)C=C1	REAL250005034004	0	27	-1.0	-37.54	262.98	1.88	-35.66
CCOC(=O)[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034005	0	30	-1.0	-37.80	273.77	1.13	-36.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1F	REAL250005034006	0	23	-1.0	-35.08	237.82	-0.20	-35.28
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC2=C1OCO2	REAL250005034007	0	27	-1.0	-42.10	257.56	-0.35	-42.45
O=C(NCC1=NC(=O)O[N-]1)C1=C2OC=CC2=CC(F)=C1	REAL250005034008	0	27	-1.0	-40.42	254.44	2.05	-38.37
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)OC2=CC=C1	REAL250005034009	0	30	-1.0	-39.54	273.33	2.09	-37.45
CC(C)N1C=CC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034010	0	33	-1.0	-43.30	287.98	0.88	-42.42
COC1=CC=CN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL250005034011	0	31	-1.0	-45.88	274.72	1.43	-44.45
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CCC2)N=C1	REAL250005034012	0	31	-1.0	-38.77	271.47	0.78	-37.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CC=C2O1	REAL250005034013	0	26	-1.0	-39.95	247.21	-0.36	-40.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1C1CCC1	REAL250005034014	0	31	-1.0	-36.12	267.03	1.06	-35.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCC2	REAL250005034015	0	29	-1.0	-42.37	256.05	1.81	-40.56
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C(C)(C)C)O1	REAL250005034016	0	36	-1.0	-36.80	305.50	2.58	-34.22
CC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005034017	0	29	-1.0	-38.96	264.06	0.65	-38.31
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1CC1=CC=CC=C1	REAL250005034019	0	35	-1.0	-42.01	302.70	3.34	-38.67
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)OC(C2CC2)=C1	REAL250005034020	0	35	-1.0	-37.72	307.84	3.81	-33.91
CC1=CC=CC=C1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034021	0	33	-1.0	-36.89	278.77	2.79	-34.10
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC=N1	REAL250005034022	0	26	-1.0	-37.01	245.70	-2.41	-39.42
COC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034023	0	26	-1.0	-41.70	245.55	-4.11	-45.81
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CSCC(=O)N1	REAL250005034024	0	26	-1.0	-37.15	245.55	-2.62	-39.77
CC1=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(=O)C=CO1	REAL250005034025	0	30	-1.0	-48.35	277.80	0.96	-47.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)F)=NC=N1	REAL250005034026	0	25	-1.0	-37.16	248.08	-0.00	-37.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)O1	REAL250005034027	0	24	-1.0	-36.52	246.52	0.28	-36.24
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL250005034028	0	29	-1.0	-35.21	275.46	1.13	-34.08
CC1(C)C(C)(C)C1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034029	0	36	-1.0	-36.23	274.41	2.04	-34.19
CCC1=NOC(COCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034030	0	32	-1.0	-43.56	293.28	-1.68	-45.24
CC1=CC2=CC=C(C)C(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL250005034031	0	36	-1.0	-41.19	310.20	4.22	-36.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CO2)=C1	REAL250005034032	0	30	-1.0	-38.62	278.07	1.06	-37.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL250005034033	0	31	-1.0	-46.67	288.73	0.53	-46.14
O=C(C=CCl)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005034034	0	28	-1.0	-41.29	275.57	-1.79	-43.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C1CCCC2	REAL250005034035	0	34	-1.0	-43.08	283.26	0.38	-42.70
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=COC2=CC=N1	REAL250005034036	0	26	-1.0	-42.31	243.57	-0.33	-42.64
CCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(=O)N1	REAL250005034037	0	33	-1.0	-39.15	290.47	0.04	-39.11
CCSC1=CNC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034038	0	31	-1.0	-50.49	284.86	0.09	-50.40
O=C(NCC1=NC(=O)O[N-]1)C12CCOC1CCCC2	REAL250005034039	0	35	-1.0	-39.83	269.43	0.75	-39.08
CCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034040	0	33	-1.0	-41.84	293.26	-0.36	-42.20
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(F)C(Cl)=C1	REAL250005034041	0	23	-1.0	-33.51	238.73	-0.29	-33.80
CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005034043	0	33	-1.0	-50.97	283.92	0.26	-50.71
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034044	0	32	-1.0	-50.94	293.10	-2.37	-53.31
O=C(NCC1=NC(=O)O[N-]1)C1=CN2CCCCC2=N1	REAL250005034045	0	31	-1.0	-44.78	268.45	1.21	-43.57
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CNC2=N1	REAL250005034046	0	29	-1.0	-53.52	263.34	-0.08	-53.60
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CN=C2N1	REAL250005034046	1	29	-1.0	-44.65	263.51	-0.08	-44.73
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C12	REAL250005034047	0	32	-1.0	-46.10	291.29	1.10	-45.00
CN1N=C(C2CC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034048	0	31	-1.0	-35.79	273.62	0.87	-34.92
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034049	0	32	-1.0	-50.11	293.08	-2.38	-52.49
CCC1=C(C)C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005034050	0	33	-1.0	-51.09	283.48	0.10	-50.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2CC2)S1	REAL250005034051	0	31	-1.0	-36.86	288.19	3.19	-33.67
COC1=CC(OC)=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034052	0	35	-1.0	-40.60	304.75	0.34	-40.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL250005034053	0	33	-1.0	-44.51	295.18	2.96	-41.55
O=C(CCCCCCCCC1CC1)NCC1=NC(=O)O[N-]1	REAL250005034054	0	45	-1.0	-35.68	367.84	5.77	-29.91
O=C(CC1CCCOCC1)NCC1=NC(=O)O[N-]1	REAL250005034055	0	34	-1.0	-36.21	269.67	0.53	-35.68
CC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CO2	REAL250005034056	0	35	-1.0	-36.10	278.53	0.47	-35.63
CC1CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034057	0	36	-1.0	-35.57	279.60	2.21	-33.36
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)SN=N1	REAL250005034058	0	28	-1.0	-33.59	262.77	-0.44	-34.03
CN1N=CC2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)C(=O)N2	REAL250005034060	0	30	-1.0	-47.40	273.20	-1.96	-49.36
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=CNN=C21	REAL250005034061	0	31	-1.0	-42.33	263.96	-0.00	-42.33
CC1(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC1	REAL250005034062	0	34	-1.0	-37.25	287.59	3.53	-33.72
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1	REAL250005034063	0	30	-1.0	-35.79	274.50	2.41	-33.38
CC1=NOC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034064	0	29	-1.0	-38.06	264.08	0.70	-37.36
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2CCC2)=C1	REAL250005034065	0	30	-1.0	-38.81	269.98	1.23	-37.58
CC1(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)CC1	REAL250005034066	0	30	-1.0	-38.67	272.37	1.14	-37.53
O=C(NCC1=NC(=O)O[N-]1)C1=NOC=C1C1=CC=CC=C1	REAL250005034067	0	30	-1.0	-41.98	277.76	2.06	-39.92
CC1(C)C(CC(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005034068	0	36	-1.0	-35.85	288.67	2.38	-33.47
CC1(C)CC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL250005034069	0	37	-1.0	-35.36	299.08	2.89	-32.47
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1	REAL250005034070	0	31	-1.0	-36.51	290.90	2.01	-34.50
C[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL250005034071	0	39	-1.0	-35.25	301.73	2.77	-32.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL250005034072	0	33	-1.0	-40.54	292.68	2.74	-37.80
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CCCO2)N=N1	REAL250005034073	0	34	-1.0	-45.28	300.62	-1.52	-46.80
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC)=N1	REAL250005034074	0	31	-1.0	-38.42	278.25	-2.21	-40.63
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005034075	0	38	-1.0	-35.84	297.11	2.33	-33.51
CC1(C)C2CCC(C2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034076	0	37	-1.0	-35.06	273.98	2.37	-32.69
NC(=O)C1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034077	0	31	-1.0	-45.09	280.30	-1.50	-46.59
CCC(=O)NC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034078	0	33	-1.0	-45.74	292.63	-1.01	-46.75
CCOC(=O)C1CC12CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005034079	0	37	-1.0	-39.16	319.83	2.95	-36.21
O=C(CC(C(F)F)N1C=CC=N1)NCC1=NC(=O)O[N-]1	REAL250005034080	0	30	-1.0	-36.43	272.00	0.33	-36.10
C=C(F)C1(CC(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL250005034081	0	31	-1.0	-35.99	263.87	1.75	-34.24
N#CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005034082	0	25	-1.0	-37.56	246.46	1.51	-36.05
CC1CN2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C(=O)N1	REAL250005034083	0	32	-1.0	-45.20	285.55	-2.86	-48.06
NC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL250005034084	0	27	-1.0	-39.83	253.26	-3.87	-43.70
O=C(CC(C(F)F)N1C=CN=C1)NCC1=NC(=O)O[N-]1	REAL250005034085	0	30	-1.0	-37.63	272.59	1.73	-35.90
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=CC2=C1OCC2	REAL250005034086	0	33	-1.0	-38.27	285.33	-0.10	-38.37
O=C(CC(O)C1CCCC1)NCC1=NC(=O)O[N-]1	REAL250005034087	0	34	-1.0	-37.93	277.21	0.02	-37.91
NC(=O)C1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034088	0	27	-1.0	-47.13	253.26	-3.90	-51.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=CN=C12	REAL250005034089	0	29	-1.0	-41.31	265.82	1.91	-39.40
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1	REAL250005034090	0	27	-1.0	-46.86	266.03	0.18	-46.68
CC1(OCC(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005034091	0	34	-1.0	-37.81	279.34	1.51	-36.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=N1	REAL250005034092	0	29	-1.0	-42.15	264.54	1.61	-40.54
O=C(CCC1CC(F)(F)C1)NCC1=NC(=O)O[N-]1	REAL250005034093	0	30	-1.0	-36.79	268.67	1.76	-35.03
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1F	REAL250005034094	0	26	-1.0	-42.01	245.11	-0.10	-42.11
O=C(COC1=CC=C(F)C=N1)NCC1=NC(=O)O[N-]1	REAL250005034095	0	27	-1.0	-37.66	258.58	-0.89	-38.55
CC1(C)COCC(CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005034096	0	35	-1.0	-39.37	288.16	0.01	-39.36
CC1(C)CC(C(=O)NCC2=NC(=O)O[N-]2)CCO1	REAL250005034097	0	34	-1.0	-35.83	272.76	0.04	-35.79
O=C(CCCCC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL250005034098	0	29	-1.0	-36.57	268.36	1.46	-35.11
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C[C@@H](OC(F)F)C1	REAL250005034099	0	28	-1.0	-37.91	257.98	-0.64	-38.55
CN1N=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034100	0	27	-1.0	-36.07	255.92	-0.75	-36.82
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CSC=N1	REAL250005034101	0	23	-1.0	-39.18	239.27	-0.52	-39.70
CC(C)(C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034102	0	35	-1.0	-41.62	297.60	1.92	-39.70
CC(C)(C)N1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034103	0	33	-1.0	-34.07	264.56	2.75	-31.32
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1C1CC1	REAL250005034104	0	34	-1.0	-36.06	277.20	2.64	-33.42
CC1=NC2=C(CCCC2CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005034105	0	36	-1.0	-43.49	299.98	0.51	-42.98
COC(=O)[C@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005034106	0	30	-1.0	-41.06	267.25	0.67	-40.39
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034107	0	39	-1.0	-41.06	331.05	3.23	-37.83
CCCCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005034108	0	32	-1.0	-36.90	293.96	1.24	-35.66
CCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005034109	0	26	-1.0	-40.48	251.80	-0.49	-40.97
O=C(NCC1=NC(=O)O[N-]1)C1CCC2CC2CC1	REAL250005034110	0	34	-1.0	-35.15	261.09	2.23	-32.92
O=C(CC1CCC=CCC1)NCC1=NC(=O)O[N-]1	REAL250005034111	0	34	-1.0	-35.45	271.70	2.41	-33.04
CC1(C)CCC=C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005034112	0	34	-1.0	-36.81	273.05	2.24	-34.57
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCO1	REAL250005034113	0	35	-1.0	-39.02	285.40	-0.53	-39.55
O=C(NCC1=NC(=O)O[N-]1)[C@]12CCO[C@@H]1CCCCC2	REAL250005034114	0	38	-1.0	-37.16	271.54	0.88	-36.28
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL250005034115	0	31	-1.0	-38.89	285.58	3.17	-35.72
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL250005034116	0	27	-1.0	-35.89	260.90	-1.78	-37.67
CCC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CNC2=N1	REAL250005034117	0	32	-1.0	-53.12	283.96	0.80	-52.32
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2CCCCC2=N1	REAL250005034118	0	36	-1.0	-36.00	295.14	2.34	-33.66
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL250005034119	0	28	-1.0	-44.36	264.33	-6.30	-50.66
CN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005034120	0	35	-1.0	-38.70	302.27	-0.28	-38.98
CC(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C(C)C)O1	REAL250005034121	0	39	-1.0	-36.95	328.44	3.48	-33.47
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL250005034122	0	31	-1.0	-39.94	286.35	0.49	-39.45
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005034123	0	34	-1.0	-38.48	291.99	1.51	-36.97
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)F	REAL250005034124	0	27	-1.0	-40.63	258.86	-0.46	-41.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)F)=C1	REAL250005034125	0	27	-1.0	-35.95	260.28	2.00	-33.95
CC(C)CC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005034126	0	32	-1.0	-37.10	289.17	0.93	-36.17
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034127	0	39	-1.0	-43.23	317.19	2.77	-40.46
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2CCCC(=O)C2=C1	REAL250005034128	0	32	-1.0	-40.89	281.37	0.85	-40.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)C(F)=C1	REAL250005034129	0	27	-1.0	-41.00	260.49	2.01	-38.99
CC(C)(C)CC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005034130	0	35	-1.0	-37.13	305.87	1.50	-35.63
CC1CC2CC2CC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034131	0	34	-1.0	-35.31	273.78	2.31	-33.00
CCCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034132	0	33	-1.0	-37.04	276.91	3.23	-33.81
COC(=O)C1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034133	0	33	-1.0	-43.12	291.93	2.39	-40.73
COC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CC2	REAL250005034134	0	38	-1.0	-34.92	291.99	0.85	-34.07
CC(=O)N1CSC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034135	0	29	-1.0	-44.94	261.49	0.54	-44.40
CN1C=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034136	0	27	-1.0	-58.68	245.38	0.54	-58.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SC=NC2=C1	REAL250005034137	0	26	-1.0	-38.64	252.13	0.43	-38.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1O	REAL250005034138	1	25	-1.0	-38.26	236.18	-0.34	-38.60
CSC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005034139	0	34	-1.0	-36.96	307.36	3.56	-33.40
CC1=NC=C([N+](=O)[O-])N1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005034140	0	29	-1.0	-41.10	273.22	2.01	-39.09
CP(C)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005034141	0	33	-1.0	-41.98	301.14	0.62	-41.36
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005034142	0	29	-1.0	-44.92	277.85	-3.32	-48.24
COC1=CC(C#N)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034143	0	29	-1.0	-38.89	269.22	2.00	-36.89
COC1=CC(=O)NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034144	0	28	-1.0	-41.16	253.09	-2.17	-43.33
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCCC(=O)C2=C1	REAL250005034145	0	33	-1.0	-42.64	289.62	0.27	-42.37
CC1=CC=CC(C(=O)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034146	0	29	-1.0	-37.44	263.06	1.55	-35.89
CCCCS(=O)(=O)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005034147	0	32	-1.0	-48.73	291.73	-1.79	-50.52
O=C(COC1CCCCCC1)NCC1=NC(=O)O[N-]1	REAL250005034148	0	37	-1.0	-37.28	294.42	2.17	-35.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCCCC2	REAL250005034149	0	37	-1.0	-37.84	293.43	3.86	-33.98
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL250005034150	0	34	-1.0	-35.56	266.55	2.34	-33.22
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCCC1	REAL250005034151	0	37	-1.0	-35.22	280.89	1.27	-33.95
CC(=O)NC(C)(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005034152	0	36	-1.0	-34.49	284.87	-0.81	-35.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1CCC1	REAL250005034153	0	34	-1.0	-37.76	280.95	3.62	-34.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1C=CC=C1	REAL250005034154	0	32	-1.0	-39.57	280.79	4.16	-35.41
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C(F)C1=CC=CC=C1	REAL250005034155	0	36	-1.0	-37.44	299.67	3.38	-34.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1O	REAL250005034156	1	25	-1.0	-35.91	242.59	-0.28	-36.19
CC1(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL250005034157	0	34	-1.0	-36.64	287.57	3.53	-33.11
CC(C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005034158	0	33	-1.0	-36.92	294.75	2.89	-34.03
CC1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034159	0	34	-1.0	-38.80	300.10	2.62	-36.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CC2)C=C1	REAL250005034160	0	32	-1.0	-37.49	281.58	2.01	-35.48
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC2=NC=NC=C21	REAL250005034161	0	27	-1.0	-37.62	249.30	-0.54	-38.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CC(=O)C2)C=C1	REAL250005034162	0	33	-1.0	-40.28	289.57	2.74	-37.54
O=C(CCC1=C2C=CC=CC2=NN1)NCC1=NC(=O)O[N-]1	REAL250005034163	0	33	-1.0	-39.55	294.04	1.13	-38.42
O=C(CCC1=NNC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005034163	1	33	-1.0	-39.15	294.24	1.13	-38.02
COC1=C(Cl)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034164	0	28	-1.0	-37.61	266.37	2.19	-35.42
CC(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C(C)C)N1	REAL250005034165	0	40	-1.0	-40.03	329.99	2.65	-37.38
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C2CCCCN12	REAL250005034166	0	34	-1.0	-45.76	286.93	1.75	-44.01
N#CC1=C2CCCCN2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034167	0	33	-1.0	-35.82	287.63	2.71	-33.11
CN1N=CC(Cl)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005034168	0	27	-1.0	-38.57	263.39	-0.23	-38.80
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NNC(=O)N2C1	REAL250005034169	0	31	-1.0	-42.89	270.78	-1.13	-44.02
O=C(NCC1=NC(=O)O[N-]1)C1=CN2CCOCC2=C1	REAL250005034170	0	30	-1.0	-40.93	263.89	-0.12	-41.05
CCN1C(=O)NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034171	0	28	-1.0	-38.42	252.79	-1.32	-39.74
CC1=CC(C(=O)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL250005034172	0	29	-1.0	-35.13	268.34	1.58	-33.55
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1CC1	REAL250005034173	0	37	-1.0	-37.29	314.52	4.43	-32.86
O=C(CN1N=CC=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL250005034174	0	34	-1.0	-41.45	298.50	2.17	-39.28
O=C(CC1CCC2CC2C1)NCC1=NC(=O)O[N-]1	REAL250005034175	0	34	-1.0	-35.59	273.29	2.61	-32.98
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL250005034176	0	38	-1.0	-39.35	300.99	3.50	-35.85
COC(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005034177	0	34	-1.0	-39.24	308.84	0.82	-38.42
CC1=CN=C2C(=C1)C=NN2CC(=O)NCC1=NC(=O)O[N-]1	REAL250005034178	0	32	-1.0	-44.88	290.76	1.15	-43.73
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=CN2C=N1	REAL250005034179	0	27	-1.0	-48.59	249.39	2.35	-46.24
CC1=CC=CN2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005034180	0	30	-1.0	-44.44	273.39	1.36	-43.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCNC(=O)C2=C1	REAL250005034181	0	32	-1.0	-45.55	280.70	-0.49	-46.04
CN1N=CC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL250005034182	0	29	-1.0	-37.94	265.28	-0.91	-38.85
CC1=CC2=CC=NC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034183	0	32	-1.0	-39.61	278.99	2.16	-37.45
CC(C)(C)OCCOCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005034184	0	40	-1.0	-37.56	331.04	0.16	-37.40
COC(=O)C1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CN1	REAL250005034185	0	34	-1.0	-41.97	308.81	0.95	-41.02
CCOCCOCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005034186	0	34	-1.0	-37.60	296.74	-0.99	-38.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCC(=O)NC2=C1	REAL250005034187	0	32	-1.0	-40.28	280.96	0.23	-40.05
CC1=CC=CN2C(CC(=O)NCC3=NC(=O)O[N-]3)=CN=C12	REAL250005034188	0	33	-1.0	-43.63	293.68	2.70	-40.93
CC1(OCC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005034189	0	35	-1.0	-38.28	285.51	-0.25	-38.53
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1CCCO1	REAL250005034190	0	32	-1.0	-38.60	274.31	0.49	-38.11
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=CO1	REAL250005034191	0	34	-1.0	-40.96	309.45	3.46	-37.50
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCNC(=O)C1	REAL250005034192	0	31	-1.0	-41.34	259.67	-2.35	-43.69
CC(=O)N[C@@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL250005034193	0	36	-1.0	-37.23	292.25	-0.42	-37.65
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCCC2)=NO1	REAL250005034194	0	36	-1.0	-36.56	309.76	2.44	-34.12
CN1C=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCO2)C=N1	REAL250005034195	0	35	-1.0	-38.99	299.26	-0.42	-39.41
O=C(CC1=CC=C2OC(=O)NC2=C1)NCC1=NC(=O)O[N-]1	REAL250005034196	0	30	-1.0	-41.14	277.54	-0.76	-41.90
C=CCCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005034197	0	37	-1.0	-37.15	319.82	4.61	-32.54
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC2(F)F)CC1	REAL250005034198	0	34	-1.0	-35.95	290.25	2.77	-33.18
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CC2(F)F)C1	REAL250005034199	0	28	-1.0	-35.56	257.98	1.56	-34.00
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL250005034200	0	24	-1.0	-38.21	257.80	-0.30	-38.51
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL250005034201	0	31	-1.0	-37.07	270.58	1.09	-35.98
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005034202	0	25	-1.0	-41.04	242.30	0.44	-40.60
O=C(NCC1=NC(=O)O[N-]1)C1C(F)(F)C12CCC2	REAL250005034203	0	28	-1.0	-36.54	254.48	1.62	-34.92
COCC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005034204	0	37	-1.0	-35.70	295.36	0.96	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CNC(=O)C2=C1	REAL250005034205	0	27	-1.0	-47.14	257.05	-2.30	-49.44
COC(=O)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005034206	0	32	-1.0	-36.86	281.53	0.48	-36.38
CCCC(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC	REAL250005034207	0	32	-1.0	-39.72	274.56	1.90	-37.82
CC(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034208	0	37	-1.0	-40.06	302.11	0.05	-40.01
CN(C)C(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005034209	0	33	-1.0	-36.89	289.84	0.18	-36.71
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL250005034210	0	31	-1.0	-41.07	280.41	1.35	-39.72
C[C@H](CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034211	0	39	-1.0	-35.31	303.69	3.21	-32.10
CN1N=CC2=CC(CC(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL250005034212	0	33	-1.0	-40.88	295.10	1.71	-39.17
CC1=CC(COCC(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005034213	0	30	-1.0	-40.20	276.41	0.28	-39.92
CC1=CC=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C12	REAL250005034214	0	32	-1.0	-39.38	282.52	2.26	-37.12
CCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005034215	0	33	-1.0	-37.66	287.29	1.03	-36.63
CCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL250005034216	0	33	-1.0	-39.15	285.84	0.95	-38.20
CC(C)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005034217	0	37	-1.0	-42.12	296.19	-0.63	-42.75
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005034218	0	33	-1.0	-36.42	291.91	2.39	-34.03
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CCCO1	REAL250005034219	0	34	-1.0	-39.28	273.41	0.94	-38.34
CC(=O)N[C@H]1CC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034220	0	37	-1.0	-40.14	302.40	0.04	-40.10
O=C(NCC1=NC(=O)O[N-]1)C1CC2(C1)CC1(CCC1)C2	REAL250005034221	0	38	-1.0	-35.40	310.18	3.72	-31.68
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC=CC2=NC=C1	REAL250005034222	0	26	-1.0	-37.68	250.92	0.55	-37.13
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1COC2	REAL250005034223	0	26	-1.0	-37.83	240.61	-1.52	-39.35
C=CCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034224	0	31	-1.0	-37.29	268.87	3.01	-34.28
CC1(C)C2CCC1(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005034225	0	37	-1.0	-36.15	281.27	2.28	-33.87
CC(F)(F)C1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005034226	0	34	-1.0	-35.77	275.01	0.05	-35.72
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCO2)CCC1	REAL250005034227	0	35	-1.0	-34.85	286.32	0.85	-34.00
O=C(NCC1=NC(=O)O[N-]1)[C@]12CC(=O)N[C@H]1CCCC2	REAL250005034228	0	35	-1.0	-40.12	284.12	-1.23	-41.35
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CCCO1	REAL250005034229	0	39	-1.0	-38.72	307.79	1.27	-37.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCC2)N=C1	REAL250005034230	0	33	-1.0	-37.56	281.95	1.80	-35.76
CC1=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=N1	REAL250005034231	0	27	-1.0	-39.25	263.08	1.51	-37.74
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL250005034232	0	33	-1.0	-35.30	298.00	3.45	-31.85
CC1=CC=C2SC(C(=O)NCC3=NC(=O)O[N-]3)CC2=C1	REAL250005034233	0	32	-1.0	-38.40	290.70	3.24	-35.16
O=C(CC1=CC=C(C2CCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL250005034234	0	37	-1.0	-37.12	311.51	4.32	-32.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CC=C2)=N1	REAL250005034235	0	32	-1.0	-40.92	292.89	2.41	-38.51
CC1=CC(C2CC2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034236	0	33	-1.0	-37.74	282.16	2.00	-35.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CNC(=O)NC2=C1	REAL250005034237	0	31	-1.0	-41.05	275.43	-1.88	-42.93
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=NC=C1	REAL250005034238	0	30	-1.0	-37.76	268.71	1.32	-36.44
CC1=CC=C(C(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005034239	0	36	-1.0	-36.00	302.00	3.65	-32.35
CC1=C(C)C2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)N2)O1	REAL250005034240	0	31	-1.0	-38.05	276.72	0.47	-37.58
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL250005034241	0	27	-1.0	-37.52	262.49	-0.41	-37.93
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C)O1	REAL250005034242	0	30	-1.0	-37.23	266.19	1.44	-35.79
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CC2(F)F)N=C1	REAL250005034243	0	28	-1.0	-39.14	266.16	0.42	-38.72
CN1N=NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL250005034244	0	29	-1.0	-38.18	259.89	-0.70	-38.88
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005034245	0	30	-1.0	-36.93	266.19	1.44	-35.49
CCC(F)(F)C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034246	0	32	-1.0	-39.84	267.11	1.31	-38.53
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOC2)S1	REAL250005034247	0	31	-1.0	-38.20	285.47	-0.90	-39.10
CN1C=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034248	0	31	-1.0	-42.76	278.51	0.84	-41.92
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1C(=O)NCC2	REAL250005034249	0	29	-1.0	-50.69	261.10	-0.93	-51.62
O=C(COCCC1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL250005034250	0	31	-1.0	-38.09	291.95	1.99	-36.10
COC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCOC1	REAL250005034251	0	35	-1.0	-38.16	289.61	-0.25	-38.41
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CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005034280	0	30	-1.0	-36.23	268.09	2.34	-33.89
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COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCO1	REAL250005034288	0	32	-1.0	-40.53	273.34	-1.65	-42.18
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL250005034289	0	32	-1.0	-46.95	285.20	1.90	-45.05
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CCC(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005034306	0	39	-1.0	-37.19	319.55	4.33	-32.86
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=CS1	REAL250005034307	0	26	-1.0	-40.54	246.90	-0.39	-40.93
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CC1=NC=C(CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005034310	0	29	-1.0	-37.30	273.85	0.48	-36.82
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2=CC=CC=C2C1	REAL250005034311	0	34	-1.0	-35.98	286.92	3.30	-32.68
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250005034312	0	30	-1.0	-37.34	284.28	2.82	-34.52
CC1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CC=C12	REAL250005034313	0	32	-1.0	-41.75	277.17	2.12	-39.63
CCCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034314	0	30	-1.0	-42.90	269.56	0.43	-42.47
O=C(NCC1=NC(=O)O[N-]1)C1=NC(F)=CC=C1Cl	REAL250005034315	0	23	-1.0	-40.99	237.30	-0.22	-41.21
O=C(CN1N=CC2=NC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005034316	0	29	-1.0	-42.71	269.09	-0.59	-43.30
CCC(C)N1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034317	0	33	-1.0	-35.89	281.37	0.97	-34.92
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC2=CC=C(F)C=C21	REAL250005034318	0	29	-1.0	-42.16	264.24	1.62	-40.54
C[C@H](CC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034319	0	26	-1.0	-34.19	239.40	0.41	-33.78
N#CC1=CNC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C12	REAL250005034320	0	29	-1.0	-38.32	271.41	1.72	-36.60
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL250005034321	0	28	-1.0	-34.91	250.44	1.48	-33.43
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CCC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1=O	REAL250005034323	0	35	-1.0	-37.35	286.41	1.80	-35.55
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=COC2=CC=C1F	REAL250005034324	0	27	-1.0	-42.26	258.76	1.29	-40.97
COCC1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034325	0	27	-1.0	-36.45	254.70	-1.82	-38.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=CC(=O)NC2=C1	REAL250005034326	0	29	-1.0	-37.52	267.64	-1.76	-39.28
N#CC1(C(=O)NCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL250005034327	0	33	-1.0	-39.32	283.36	0.35	-38.97
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL250005034328	0	34	-1.0	-37.22	294.01	0.14	-37.08
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CN=C1	REAL250005034329	0	26	-1.0	-36.82	250.33	0.03	-36.79
O=C(NCC1=NC(=O)O[N-]1)C1CC2(C1)CCOC2	REAL250005034330	0	32	-1.0	-36.63	267.66	-0.16	-36.79
COCC1(CC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL250005034331	0	38	-1.0	-35.46	297.07	-0.95	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CCCC2=N1	REAL250005034332	0	30	-1.0	-41.64	263.87	1.19	-40.45
CC1(C)CC(=O)NCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034333	0	34	-1.0	-37.21	274.70	-1.71	-38.92
CCC(O)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005034334	0	34	-1.0	-37.43	284.59	0.44	-36.99
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C1CCCC2	REAL250005034335	0	31	-1.0	-38.37	266.28	1.72	-36.65
CCC1(CC)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005034336	0	36	-1.0	-35.46	285.90	2.26	-33.20
CC(C)(C)C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034337	0	32	-1.0	-36.58	282.44	0.94	-35.64
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O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C=NN1	REAL250005034339	0	21	-1.0	-34.47	222.08	-1.86	-36.33
CC1=NC2=NC=NN2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034340	0	28	-1.0	-44.27	257.77	2.97	-41.30
CC1(C)[C@@H]2C[C@@H](C(=O)NCC3=NC(=O)O[N-]3)C[C@@H]21	REAL250005034341	0	34	-1.0	-36.32	274.28	2.33	-33.99
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL250005034342	0	30	-1.0	-40.97	269.03	1.25	-39.72
CC1=CC(C2CCC2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034343	0	36	-1.0	-37.55	298.24	2.49	-35.06
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC=C1F	REAL250005034344	0	31	-1.0	-35.34	280.88	1.66	-33.68
COC1=CC=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034345	0	27	-1.0	-41.06	243.77	-0.20	-41.26
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCNC(=O)C2=C1	REAL250005034346	0	29	-1.0	-45.37	265.87	-3.59	-48.96
CC1=CC2=NC=CN=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034347	0	31	-1.0	-40.68	273.04	0.18	-40.50
CC(=O)NC(CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034348	0	36	-1.0	-43.43	296.87	0.54	-42.89
O=C(NCC1=NC(=O)O[N-]1)C1CCC2C(CC1)C2(F)F	REAL250005034349	0	34	-1.0	-39.67	274.15	2.51	-37.16
CC1=C(C)OC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034350	0	32	-1.0	-39.47	285.72	-1.33	-40.80
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCC2=NNC1=O	REAL250005034351	0	30	-1.0	-46.95	261.45	-1.29	-48.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CNC2=O	REAL250005034352	0	29	-1.0	-37.84	261.82	-1.52	-39.36
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NCC1=NC(=O)O[N-]1	REAL250005034353	0	38	-1.0	-38.59	310.51	3.11	-35.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2CCC2)C=C1	REAL250005034354	0	37	-1.0	-36.97	312.24	4.57	-32.40
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2COC2)N=N1	REAL250005034355	0	28	-1.0	-43.29	258.81	-3.51	-46.80
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CCF)C=C1	REAL250005034356	0	27	-1.0	-42.23	254.65	-0.19	-42.42
O=C(CCC1=CC=C(F)N=C1)NCC1=NC(=O)O[N-]1	REAL250005034357	0	29	-1.0	-38.43	268.41	0.70	-37.73
CC1(C)CC(C(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)O1	REAL250005034358	0	40	-1.0	-34.82	312.87	1.56	-33.26
O=C(NCC1=NC(=O)O[N-]1)C12OC3C4COCC3C1C42	REAL250005034359	0	32	-1.0	-39.82	268.61	-1.19	-41.01
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCO2)CCOCC1	REAL250005034360	0	39	-1.0	-38.86	300.87	-0.06	-38.92
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CCC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL250005034418	0	37	-1.0	-36.42	290.09	0.51	-35.91
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COC1C[C@@H]2CC(C(=O)NCC3=NC(=O)O[N-]3)C[C@H]12	REAL250005034433	0	35	-1.0	-38.19	283.15	1.22	-36.97
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C2O1	REAL250005034434	0	30	-1.0	-40.08	268.16	2.19	-37.89
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CC1(C)C2CCC1(CC(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005034436	0	40	-1.0	-35.54	300.30	3.05	-32.49
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CCC1=CC2=C(OCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034440	0	35	-1.0	-42.18	298.95	3.23	-38.95
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COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=N1	REAL250005034447	0	30	-1.0	-37.24	270.12	-1.61	-38.85
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CC1(C)CCOC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005034458	0	34	-1.0	-38.56	277.40	0.64	-37.92
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CC1=C2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=NN1	REAL250005034693	1	34	-1.0	-38.25	285.35	0.38	-37.87
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O=C(NCC1=NC(=O)O[N-]1)C1=CN2N=NC=C2C=C1	REAL250005034695	0	26	-1.0	-38.26	242.93	-0.45	-38.71
C[C@@H]1CC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C2[C@H](C)O1	REAL250005034696	0	35	-1.0	-35.62	297.82	-0.95	-36.57
O=C(CCNC1=CN=CN=C1)NCC1=NC(=O)O[N-]1	REAL250005034697	0	30	-1.0	-38.77	270.66	-1.29	-40.06
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O=C(NCC1=NC(=O)O[N-]1)C1CCCC(F)(F)CC1	REAL250005034699	0	33	-1.0	-37.50	266.52	1.87	-35.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL250005034700	0	31	-1.0	-38.94	282.60	3.28	-35.66
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CN1C=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005034704	0	28	-1.0	-41.10	259.46	-0.60	-41.70
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C2CC2)=NO1	REAL250005034705	0	32	-1.0	-40.69	281.65	0.60	-40.09
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C#CC1=CC=C(C2CC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005034707	0	33	-1.0	-39.67	292.93	4.18	-35.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C=N1	REAL250005034708	0	32	-1.0	-41.79	284.94	1.83	-39.96
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CC(C)[C@@H]1CCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034710	0	36	-1.0	-35.61	283.08	2.31	-33.30
O=C(NCC1=NC(=O)O[N-]1)C1=C2C(=O)NCCN2N=C1	REAL250005034711	0	29	-1.0	-47.99	260.14	-2.22	-50.21
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CC1=CNC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL250005034713	0	30	-1.0	-40.64	269.40	1.00	-39.64
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CN1C=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CO2)C=N1	REAL250005034715	0	30	-1.0	-45.13	284.99	-2.80	-47.93
CC1=CN2C(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2S1	REAL250005034716	0	27	-1.0	-36.48	257.95	1.47	-35.01
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CC(C)(C)C1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034718	0	35	-1.0	-39.80	295.14	1.68	-38.12
COC1CC2(C1)CCC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005034719	0	41	-1.0	-36.71	324.19	1.92	-34.79
CCC(C)(C)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034720	0	45	-1.0	-35.16	329.93	3.78	-31.38
CC1=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2C=C1	REAL250005034721	0	32	-1.0	-38.97	283.80	2.08	-36.89
O=C(NCC1=NC(=O)O[N-]1)C1COC2COCC21	REAL250005034722	0	30	-1.0	-35.31	253.29	-2.62	-37.93
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC(=O)C2)CC1	REAL250005034723	0	36	-1.0	-39.76	294.25	2.09	-37.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL250005034724	0	31	-1.0	-41.38	277.06	0.78	-40.60
CCC(CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034725	0	39	-1.0	-36.81	322.38	4.59	-32.22
COC1(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005034726	0	34	-1.0	-35.29	280.31	0.68	-34.61
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCC(F)(F)CC2	REAL250005034727	0	34	-1.0	-37.01	287.45	2.67	-34.34
COC(=O)C1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034728	0	27	-1.0	-39.09	269.18	0.69	-38.40
CC(C)(C)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034729	0	35	-1.0	-36.82	292.62	1.57	-35.25
COC1CC(CC(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005034730	0	37	-1.0	-37.89	302.06	0.93	-36.96
O=C(NCC1=NC(=O)O[N-]1)C12CCCN1C(=O)CCCC2	REAL250005034731	0	38	-1.0	-43.40	291.17	1.77	-41.63
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC2(F)F)C1	REAL250005034732	0	31	-1.0	-36.09	273.85	2.10	-33.99
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2C1C2(F)F	REAL250005034733	0	31	-1.0	-39.53	263.51	1.95	-37.58
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005034734	0	35	-1.0	-41.26	296.76	2.81	-38.45
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034735	0	42	-1.0	-34.75	300.87	3.10	-31.65
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)F)=NN1C	REAL250005034736	0	30	-1.0	-43.51	281.92	0.03	-43.48
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034737	0	35	-1.0	-44.39	296.76	-0.17	-44.56
CCC1=CC=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)S1	REAL250005034738	0	29	-1.0	-37.55	276.62	1.51	-36.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CCCC2)=NN1	REAL250005034739	0	34	-1.0	-35.23	287.49	0.60	-34.63
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CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC=C1C(F)F	REAL250005034742	0	29	-1.0	-39.29	268.33	0.75	-38.54
CN(C)C(=O)C1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034743	0	33	-1.0	-43.03	285.57	-1.12	-44.15
O=C(NCC1=NC(=O)O[N-]1)C1CCC2C1C2(F)F	REAL250005034744	0	28	-1.0	-40.68	244.30	1.25	-39.43
COC1=CC=CC=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034745	0	35	-1.0	-41.95	300.55	1.98	-39.97
CC1=C(Cl)C=NN1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005034746	0	27	-1.0	-39.16	264.07	0.11	-39.05
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C2CCCO2)O1	REAL250005034747	0	36	-1.0	-37.77	299.73	0.35	-37.42
CN1N=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005034748	0	29	-1.0	-49.10	263.91	-0.31	-49.41
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2OCCCC2=C1	REAL250005034749	0	31	-1.0	-40.00	269.88	-1.45	-41.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=NC=C2)=NO1	REAL250005034750	0	29	-1.0	-37.74	275.03	0.29	-37.45
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL250005034751	0	33	-1.0	-35.15	298.89	3.44	-31.71
CC1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)S1	REAL250005034752	0	27	-1.0	-37.30	272.25	2.35	-34.95
O=C(CC12CCC(CC1)C2)NCC1=NC(=O)O[N-]1	REAL250005034753	0	34	-1.0	-35.94	269.29	2.30	-33.64
O=C(NCC1=NC(=O)O[N-]1)C1CC=CC2=CC=CC=C21	REAL250005034754	0	32	-1.0	-37.56	276.73	3.27	-34.29
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=NN=C2C=N1	REAL250005034755	0	25	-1.0	-40.59	239.24	0.61	-39.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=NC=CC=C12	REAL250005034756	0	29	-1.0	-38.01	256.93	1.41	-36.60
CC1=CC2=C(OCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034757	0	32	-1.0	-42.24	277.47	2.47	-39.77
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC=CC2=CN=C1	REAL250005034758	0	26	-1.0	-39.54	250.83	0.64	-38.90
CC(C)C(C)C(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005034759	0	38	-1.0	-35.27	290.65	2.25	-33.02
COC1CC2(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL250005034760	0	35	-1.0	-36.50	294.76	0.84	-35.66
CC1(C)CCC(C(=O)NCC2=NC(=O)O[N-]2)CO1	REAL250005034761	0	34	-1.0	-35.66	272.73	0.08	-35.58
O=C(CC1CCCNC(=O)C1)NCC1=NC(=O)O[N-]1	REAL250005034762	0	34	-1.0	-46.95	277.98	-1.42	-48.37
CN1C=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005034763	0	30	-1.0	-48.42	269.01	2.54	-45.88
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CNC2=C1	REAL250005034764	0	27	-1.0	-58.71	251.09	-0.80	-59.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2N=NC=C12	REAL250005034765	0	26	-1.0	-41.08	241.67	-0.47	-41.55
CP(C)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034766	0	33	-1.0	-44.55	301.17	0.61	-43.94
COCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005034767	0	29	-1.0	-36.67	262.69	-1.46	-38.13
CN1C=NC2=C1CCCC2C(=O)NCC1=NC(=O)O[N-]1	REAL250005034768	0	34	-1.0	-45.35	285.49	2.93	-42.42
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C(C)C(C)C	REAL250005034769	0	39	-1.0	-39.57	321.61	2.27	-37.30
CCCSC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034770	0	34	-1.0	-37.64	304.27	3.71	-33.93
COC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034771	0	27	-1.0	-38.65	263.06	-1.58	-40.23
CC1=NN(C)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034772	0	30	-1.0	-40.23	268.68	-0.16	-40.39
CC1=NC=NC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL250005034773	0	35	-1.0	-36.82	291.95	1.94	-34.88
CC(C)N(C)C(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005034774	0	36	-1.0	-39.59	301.12	0.53	-39.06
CC1C(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)C1C	REAL250005034775	0	33	-1.0	-43.61	292.74	-0.06	-43.67
O=C(CC1=CSC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL250005034776	0	24	-1.0	-36.23	252.77	1.28	-34.95
O=C(NCC1=NC(=O)O[N-]1)C12CCC(F)(CC1)C2	REAL250005034777	0	31	-1.0	-35.03	260.94	1.58	-33.45
CC(C)OC1=CC=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034778	0	34	-1.0	-40.74	294.64	3.20	-37.54
CC(CC(=O)NCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL250005034779	0	29	-1.0	-37.55	258.43	1.10	-36.45
CC1(C)CC2(CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005034780	0	34	-1.0	-36.14	282.09	2.55	-33.59
O=C(CC1CCC2(CCCC2)CC1)NCC1=NC(=O)O[N-]1	REAL250005034781	0	43	-1.0	-35.57	323.52	4.14	-31.43
O=C(NCC1=NC(=O)O[N-]1)C1CCCC12CCC2	REAL250005034782	0	34	-1.0	-36.33	273.33	2.34	-33.99
CC1COC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005034783	0	32	-1.0	-41.94	276.64	2.43	-39.51
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2CCOCC2=C1	REAL250005034784	0	31	-1.0	-37.88	270.07	-0.68	-38.56
O=C(CC1COCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL250005034785	0	35	-1.0	-37.60	291.08	1.58	-36.02
CC1=NN=C2CC(C(=O)NCC3=NC(=O)O[N-]3)CN12	REAL250005034786	0	30	-1.0	-41.46	264.58	1.14	-40.32
O=C(CC1CCCCCC1(F)F)NCC1=NC(=O)O[N-]1	REAL250005034787	0	36	-1.0	-37.57	282.95	2.38	-35.19
CC12CC(CC(=O)NCC3=NC(=O)O[N-]3)(C1)CO2	REAL250005034788	0	32	-1.0	-38.42	268.36	-0.06	-38.48
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCS1(=O)=O	REAL250005034789	0	33	-1.0	-42.41	285.81	-1.94	-44.35
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL250005034790	0	37	-1.0	-35.95	282.27	2.69	-33.26
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL250005034791	0	38	-1.0	-36.60	309.09	4.61	-31.99
CC(C1CC1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005034792	0	38	-1.0	-38.47	312.59	1.53	-36.94
CCC1=CN2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=N1	REAL250005034793	0	37	-1.0	-37.37	309.17	2.51	-34.86
O=C(CCC12CCC(CC1)C2)NCC1=NC(=O)O[N-]1	REAL250005034794	0	37	-1.0	-35.23	294.35	3.04	-32.19
O=C(CC12CC(C1)C(=O)NC2)NCC1=NC(=O)O[N-]1	REAL250005034795	0	32	-1.0	-40.56	268.78	-1.77	-42.33
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CN=C2)=N1	REAL250005034796	0	29	-1.0	-42.22	271.47	0.97	-41.25
CC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C#N	REAL250005034797	0	27	-1.0	-35.38	256.31	0.15	-35.23
O=C(NCC1=NC(=O)O[N-]1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL250005034798	0	31	-1.0	-43.45	281.04	-2.31	-45.76
CC1CCC(OCCCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034799	0	43	-1.0	-37.53	343.43	2.96	-34.57
CCC1(C)CCC(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005034800	0	34	-1.0	-38.12	280.13	1.31	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SN=CC2=C1	REAL250005034801	0	26	-1.0	-36.02	252.71	1.24	-34.78
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CCC2)CO1	REAL250005034802	0	32	-1.0	-37.76	268.50	1.06	-36.70
O=C(CC1CCCCC1(F)F)NCC1=NC(=O)O[N-]1	REAL250005034803	0	33	-1.0	-35.59	275.56	2.05	-33.54
CN1N=CC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005034804	0	34	-1.0	-38.88	296.36	2.02	-36.86
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CC(F)C2)C1	REAL250005034805	0	31	-1.0	-36.04	267.96	1.97	-34.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CN=NN2C=C1	REAL250005034806	0	26	-1.0	-37.87	242.53	-0.38	-38.25
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CN1C=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005034808	0	28	-1.0	-40.03	269.46	0.02	-40.01
O=C(CCC1=C(F)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL250005034809	0	30	-1.0	-38.03	286.51	2.98	-35.05
O=C(CC1CC2(CCC2)CO1)NCC1=NC(=O)O[N-]1	REAL250005034810	0	35	-1.0	-38.87	289.21	1.54	-37.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CCF)C=C1	REAL250005034811	0	30	-1.0	-37.28	270.60	2.63	-34.65
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CSC=C2C1	REAL250005034812	0	28	-1.0	-35.37	258.22	1.73	-33.64
CC1=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC2=N1	REAL250005034813	0	30	-1.0	-38.10	269.36	2.21	-35.89
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=CNC2=N1	REAL250005034814	0	29	-1.0	-42.97	264.54	0.14	-42.83
CCC1=CC=CC(CC)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005034815	0	39	-1.0	-36.57	314.09	4.00	-32.57
CC1(C)CCCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034816	0	39	-1.0	-35.00	287.47	2.58	-32.42
CC(C)[C@H]1CC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034817	0	39	-1.0	-35.98	296.28	2.87	-33.11
CC(C)N1C=C(C2CC2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005034818	0	37	-1.0	-39.24	318.32	2.28	-36.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL250005034819	0	31	-1.0	-40.19	285.40	1.61	-38.58
COC1=CN=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034820	0	26	-1.0	-40.83	243.17	-2.52	-43.35
CC1CC(=O)NCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034821	0	31	-1.0	-37.59	263.07	-2.18	-39.77
NC(=O)C1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034822	0	28	-1.0	-41.71	262.03	-2.09	-43.80
CC1(C)C(C)(C)C1(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034823	0	33	-1.0	-35.79	272.00	2.01	-33.78
COC1(C#N)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005034824	0	29	-1.0	-37.28	263.39	-0.89	-38.17
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2(CCCCC2)C1	REAL250005034825	0	41	-1.0	-35.59	312.36	2.05	-33.54
CC1(C)CC(CC(=O)NCC2=NC(=O)O[N-]2)CO1	REAL250005034826	0	34	-1.0	-37.42	281.51	0.29	-37.13
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC=C21	REAL250005034827	0	36	-1.0	-38.35	303.57	4.38	-33.97
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(F)=C1F	REAL250005034828	0	28	-1.0	-35.50	263.09	0.48	-35.02
O=C(CC1CCC(=O)NC1=O)NCC1=NC(=O)O[N-]1	REAL250005034829	0	30	-1.0	-46.39	262.45	-1.30	-47.69
O=C(NCC1=NC(=O)O[N-]1)C1CCCCC(=O)C1	REAL250005034830	0	32	-1.0	-38.86	261.13	0.87	-37.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NNC=C2)=C1	REAL250005034831	0	31	-1.0	-44.29	280.02	1.09	-43.20
CC1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C21	REAL250005034832	0	30	-1.0	-37.82	269.62	0.37	-37.45
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CCOCC2)O1	REAL250005034833	0	36	-1.0	-38.72	294.61	0.25	-38.47
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CCC2)O1	REAL250005034834	0	32	-1.0	-38.39	270.14	1.30	-37.09
CC1CCCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034835	0	36	-1.0	-34.99	278.36	2.40	-32.59
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL250005034836	0	30	-1.0	-36.47	275.35	2.70	-33.77
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC(C2CC2)=N1	REAL250005034837	0	34	-1.0	-40.19	296.17	1.71	-38.48
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=NC=CN2C=C1	REAL250005034838	0	26	-1.0	-49.47	244.91	2.23	-47.24
CCCN1C=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034839	0	30	-1.0	-42.23	284.69	0.94	-41.29
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Cl)N=C1C	REAL250005034840	0	29	-1.0	-37.69	267.41	0.86	-36.83
COC(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005034841	0	33	-1.0	-40.78	283.98	1.27	-39.51
O=C(NCC1=NC(=O)O[N-]1)C1(C2=NC=CC=C2F)CC1	REAL250005034842	0	30	-1.0	-40.06	278.05	1.17	-38.89
CC1=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1	REAL250005034843	0	24	-1.0	-34.85	239.77	-1.39	-36.24
CC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL250005034843	1	24	-1.0	-34.85	239.77	-1.39	-36.24
NC(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034844	0	28	-1.0	-49.28	260.14	-2.07	-51.35
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=C(F)C=C1)C1CC1	REAL250005034845	0	34	-1.0	-35.84	301.40	3.84	-32.00
CC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)CCO2	REAL250005034846	0	32	-1.0	-35.38	262.99	-0.13	-35.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CCC2)=NO1	REAL250005034847	0	30	-1.0	-36.31	267.40	1.02	-35.29
CC1=CC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005034848	0	27	-1.0	-35.49	268.17	1.61	-33.88
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC(F)F)N=C1	REAL250005034849	0	27	-1.0	-39.47	260.65	-0.05	-39.52
CN1C=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005034850	0	27	-1.0	-38.30	259.82	-0.37	-38.67
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCNC1=O	REAL250005034851	0	34	-1.0	-45.43	271.95	-1.70	-47.13
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2CCC2)C1	REAL250005034852	0	34	-1.0	-36.11	280.76	2.68	-33.43
CCNC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034853	0	39	-1.0	-41.19	317.84	-0.14	-41.33
C#CC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034854	0	30	-1.0	-40.80	281.92	2.81	-37.99
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2(CCC2)C1	REAL250005034855	0	37	-1.0	-35.26	290.76	2.94	-32.32
CC(C)[C@@H](NC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034856	0	32	-1.0	-37.66	269.45	-4.39	-42.05
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC(C2CC2)=N1	REAL250005034857	0	37	-1.0	-42.81	312.14	2.47	-40.34
O=C(NCC1=NC(=O)O[N-]1)C1CC2CCCCCCC21	REAL250005034858	0	40	-1.0	-35.45	296.23	3.22	-32.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1COC2	REAL250005034859	0	29	-1.0	-38.05	254.61	0.35	-37.70
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)CCS1	REAL250005034860	0	31	-1.0	-34.89	267.24	1.71	-33.18
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CC3(CC3)CC2=C1	REAL250005034861	0	32	-1.0	-42.80	282.49	0.97	-41.83
O=C(CC1CCS(=O)(=O)CC1)NCC1=NC(=O)O[N-]1	REAL250005034862	0	33	-1.0	-43.34	284.22	-1.99	-45.33
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=NC=C2)CC1	REAL250005034863	0	30	-1.0	-38.81	267.06	1.02	-37.79
COC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)C2	REAL250005034864	0	35	-1.0	-36.05	285.61	0.34	-35.71
O=C(CC1=CC=C2OC=NC2=C1)NCC1=NC(=O)O[N-]1	REAL250005034865	0	29	-1.0	-42.77	267.48	-1.37	-44.14
COC1CC(CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005034866	0	34	-1.0	-37.61	288.93	0.55	-37.06
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034867	0	30	-1.0	-37.34	281.19	1.10	-36.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N2C=CC=CC2=N1	REAL250005034868	0	30	-1.0	-41.96	272.96	1.88	-40.08
CC(C)CC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005034869	0	34	-1.0	-38.38	295.97	1.08	-37.30
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(CC(C3)O1)C2	REAL250005034870	0	36	-1.0	-38.29	279.47	1.00	-37.29
CC1=CC=C(C(C(=O)NCC2=NC(=O)O[N-]2)C2CC2)C=C1	REAL250005034871	0	37	-1.0	-36.71	316.41	4.45	-32.26
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC=NC2=C1Cl	REAL250005034872	0	26	-1.0	-46.59	261.87	0.35	-46.24
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N2C=CC=CC2=N1	REAL250005034873	0	33	-1.0	-41.94	294.45	2.61	-39.33
CC1=CC(F)=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034874	0	34	-1.0	-36.57	296.65	3.41	-33.16
CC1=CC=C(F)C=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034875	0	34	-1.0	-37.16	296.53	3.40	-33.76
CC1=C2NC=NC2=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034876	0	30	-1.0	-44.95	268.14	1.32	-43.63
CCC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005034877	0	29	-1.0	-39.86	260.44	0.54	-39.32
CC(C)CCCOCC(=O)NCC1=NC(=O)O[N-]1	REAL250005034878	0	36	-1.0	-37.61	302.37	1.94	-35.67
COC(=O)[C@@H]1C[C@@]1(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL250005034879	0	36	-1.0	-44.15	303.04	1.85	-42.30
O=C(NCC1=NC(=O)O[N-]1)C1(F)CC2(CCC2)C1	REAL250005034880	0	31	-1.0	-35.30	267.71	1.92	-33.38
O=C(NCC1=NC(=O)O[N-]1)C1CCCCNC1=O	REAL250005034881	0	31	-1.0	-37.35	247.38	-1.55	-38.90
O=C(NCC1=NC(=O)O[N-]1)C1=NNC=C1C1CCC1	REAL250005034882	0	31	-1.0	-42.29	268.41	0.15	-42.14
CC1CC(C)(C(=O)NCC2=NC(=O)O[N-]2)CC(C)O1	REAL250005034883	0	37	-1.0	-35.86	293.17	0.85	-35.01
COCCN1C=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL250005034884	0	34	-1.0	-52.43	297.97	0.15	-52.28
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(=O)CCC2=CC=C1	REAL250005034885	0	32	-1.0	-43.50	276.00	0.66	-42.84
O=C(NCC1=NC(=O)O[N-]1)[C@]12COC[C@H]1C2(F)F	REAL250005034886	0	26	-1.0	-36.40	242.84	-1.14	-37.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN(C2CCC2)C1=O	REAL250005034887	0	34	-1.0	-55.33	287.31	2.00	-53.33
CCC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034888	0	33	-1.0	-36.91	286.78	2.80	-34.11
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C2C=CSC2=C1	REAL250005034889	0	26	-1.0	-40.38	255.27	0.73	-39.65
O=C(CC1=C2NC=CC=C2N=C1)NCC1=NC(=O)O[N-]1	REAL250005034890	0	30	-1.0	-51.06	272.12	-0.09	-51.15
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=C1CCCC2	REAL250005034891	0	35	-1.0	-37.25	289.46	1.93	-35.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(CC2CCC2)=CN1	REAL250005034892	0	35	-1.0	-37.13	299.77	2.37	-34.76
COC(=O)C1=CSC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034893	0	30	-1.0	-40.74	292.18	1.52	-39.22
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005034894	0	27	-1.0	-36.70	250.82	1.51	-35.19
CCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL250005034895	0	32	-1.0	-42.79	286.76	-0.23	-43.02
C[C@H]1C(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)[C@H]1C	REAL250005034896	0	33	-1.0	-43.51	287.05	-0.20	-43.71
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CNC(=O)C2)CC1	REAL250005034897	0	38	-1.0	-42.98	302.94	-0.85	-43.83
COC(=O)[C@@H]1[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL250005034898	0	33	-1.0	-39.67	282.70	1.30	-38.37
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2CCOCC2)=NO1	REAL250005034899	0	36	-1.0	-40.50	304.82	0.32	-40.18
CC1=NOC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL250005034900	0	32	-1.0	-40.07	278.34	0.23	-39.84
CCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL250005034901	0	33	-1.0	-42.01	289.62	0.83	-41.18
CCCC1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005034902	0	33	-1.0	-35.50	286.29	0.90	-34.60
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCC2=NNC1=O	REAL250005034904	0	33	-1.0	-45.51	275.82	-0.69	-46.20
CC(C)CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005034905	0	32	-1.0	-38.93	282.10	1.19	-37.74
CC1=C(C2CC2)ON=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034906	0	30	-1.0	-39.70	271.02	1.34	-38.36
O=C(NCC1=NC(=O)O[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL250005034907	0	29	-1.0	-35.83	270.40	-0.35	-36.18
CC1=[NH+]C=C2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN21	REAL250005034908	0	30	-1.0	-37.40	269.49	2.29	-35.11
CC1=NC=C2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN21	REAL250005034908	1	30	-1.0	-37.40	269.49	2.29	-35.11
CC1=CN2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=N1	REAL250005034909	0	34	-1.0	-37.60	287.73	1.77	-35.83
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2COCCC2=C1	REAL250005034910	0	31	-1.0	-37.59	270.08	-0.68	-38.27
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034911	0	32	-1.0	-34.38	283.28	3.09	-31.29
O=C(NCC1=NC(=O)O[N-]1)C(F)C1CCOCC1	REAL250005034912	0	31	-1.0	-35.62	265.41	-0.46	-36.08
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CC=N2)=N1	REAL250005034913	0	29	-1.0	-37.28	273.92	-0.27	-37.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=CN=CC=C21	REAL250005034914	0	29	-1.0	-37.71	263.36	1.60	-36.11
CC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005034915	0	34	-1.0	-46.02	293.57	1.82	-44.20
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CC1(C)[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H]1C(F)F	REAL250005034931	0	30	-1.0	-38.63	253.58	1.33	-37.30
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COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005034935	0	29	-1.0	-35.50	259.66	-3.59	-39.09
CC(CC1=CC=NC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034936	0	32	-1.0	-36.73	277.49	1.25	-35.48
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CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005034942	0	30	-1.0	-38.69	268.56	2.57	-36.12
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CCOC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL250005034944	0	28	-1.0	-41.11	264.15	1.36	-39.75
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CCC1=NNC(CC)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005034946	0	36	-1.0	-39.23	306.38	0.66	-38.57
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CCC(=CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005034948	0	34	-1.0	-36.95	285.82	3.43	-33.52
NC(=O)NCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005034949	0	38	-1.0	-52.04	326.14	-2.88	-54.92
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CC1=NOC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL250005034951	0	31	-1.0	-45.69	281.74	-1.03	-46.72
CC(NC(=O)C(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005034952	0	39	-1.0	-44.53	324.88	-0.19	-44.72
CS(=O)(=O)NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005034953	0	31	-1.0	-52.97	286.46	-4.64	-57.61
CN1C(=O)C=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL250005034954	0	33	-1.0	-57.31	295.65	0.23	-57.08
CC1=NN(C)C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005034955	0	39	-1.0	-48.54	330.19	1.75	-46.79
CC1=NN(C)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005034956	0	36	-1.0	-51.99	308.80	0.96	-51.03
CSCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005034957	0	31	-1.0	-45.02	294.17	1.60	-43.42
CC1=NC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL250005034958	0	29	-1.0	-44.62	269.42	0.02	-44.60
O=C(COC1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL250005034959	0	31	-1.0	-50.72	293.58	2.62	-48.10
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL250005034960	0	30	-1.0	-49.00	276.68	-0.94	-49.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2S1	REAL250005034961	0	30	-1.0	-45.19	282.40	2.95	-42.24
CC1=CC2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CN2C=C1	REAL250005034962	0	33	-1.0	-48.55	295.02	2.67	-45.88
CC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005034963	0	37	-1.0	-49.65	318.33	3.49	-46.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=C1	REAL250005034964	0	31	-1.0	-47.07	282.46	1.13	-45.94
O=C(COC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL250005034965	0	31	-1.0	-49.96	276.85	2.10	-47.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)F)=C1	REAL250005034966	0	31	-1.0	-48.59	282.54	1.12	-47.47
O=C(CC1=C(F)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL250005034967	0	30	-1.0	-46.82	287.29	2.66	-44.16
O=C(CCC1=CSC=C1)NCCC1=NC(=O)O[N-]1	REAL250005034968	0	30	-1.0	-44.77	279.31	1.95	-42.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CN=C21	REAL250005034969	0	32	-1.0	-56.43	282.40	2.35	-54.08
COCC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005034970	0	34	-1.0	-48.49	298.37	1.26	-47.23
O=C(CN1CCSC1=O)NCCC1=NC(=O)O[N-]1	REAL250005034971	0	29	-1.0	-54.97	271.80	-0.44	-55.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=C2)C=C1	REAL250005034972	0	35	-1.0	-46.74	304.03	4.32	-42.42
O=C(CC1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL250005034973	0	36	-1.0	-48.94	310.61	4.34	-44.60
O=C(CCCOC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL250005034974	0	37	-1.0	-49.77	319.30	2.61	-47.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=CSC2=C1	REAL250005034975	0	29	-1.0	-47.32	274.39	0.92	-46.40
CC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL250005034976	0	36	-1.0	-50.22	315.40	1.14	-49.08
O=C(CC1CC2CCC1C2)NCCC1=NC(=O)O[N-]1	REAL250005034977	0	37	-1.0	-46.15	292.63	2.79	-43.36
COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL250005034978	0	35	-1.0	-51.48	301.67	1.86	-49.62
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL250005034979	0	35	-1.0	-50.75	300.00	1.41	-49.34
COC1=CC(OC)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005034980	0	35	-1.0	-47.76	302.24	0.14	-47.62
CN(C)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005034981	0	35	-1.0	-47.38	294.39	1.93	-45.45
CN(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005034982	0	35	-1.0	-47.73	294.59	1.95	-45.78
CC1=CC(C)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005034983	0	33	-1.0	-46.30	286.11	2.87	-43.43
O=C(CC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL250005034984	0	30	-1.0	-46.81	284.66	2.74	-44.07
O=C(COC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL250005034985	0	31	-1.0	-48.91	293.58	2.63	-46.28
O=C(CCC1CCCC1)NCCC1=NC(=O)O[N-]1	REAL250005034986	0	36	-1.0	-45.50	293.62	2.62	-42.88
CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005034987	0	34	-1.0	-46.57	294.56	1.78	-44.79
CCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005034988	0	34	-1.0	-50.95	292.48	3.01	-47.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL250005034989	0	27	-1.0	-47.64	249.72	1.60	-46.04
O=C(CC1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL250005034990	0	30	-1.0	-47.44	274.34	2.29	-45.15
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL250005034991	0	32	-1.0	-45.13	287.45	2.72	-42.41
CCOC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005034992	0	33	-1.0	-51.72	290.18	0.44	-51.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL250005034993	0	27	-1.0	-48.41	254.25	1.68	-46.73
CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL250005034994	0	33	-1.0	-45.72	276.22	2.75	-42.97
COC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005034995	0	35	-1.0	-50.80	306.34	1.39	-49.41
O=C(CCC1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL250005034996	0	33	-1.0	-45.31	295.74	3.09	-42.22
O=C(CCC1=CC=CN=C1)NCCC1=NC(=O)O[N-]1	REAL250005034997	0	32	-1.0	-46.60	284.16	1.24	-45.36
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005034998	0	31	-1.0	-50.91	277.25	0.92	-49.99
COC1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005034999	0	37	-1.0	-46.90	318.83	2.33	-44.57
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL250005035000	0	35	-1.0	-48.66	301.92	0.75	-47.91
CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL250005035001	0	30	-1.0	-44.57	278.77	2.13	-42.44
COC1=CC=C(C)C=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005035002	0	37	-1.0	-48.51	317.65	2.24	-46.27
CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005035003	0	33	-1.0	-47.20	289.33	2.89	-44.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC2=CC=CC=C21	REAL250005035004	0	32	-1.0	-47.79	279.51	1.91	-45.88
COC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035005	0	31	-1.0	-47.90	287.35	2.62	-45.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)S1	REAL250005035006	0	34	-1.0	-44.97	299.06	3.17	-41.80
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005035007	0	30	-1.0	-44.97	270.42	-1.74	-46.71
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)CCC1=O	REAL250005035008	0	31	-1.0	-43.10	275.70	-1.28	-44.38
O=C(NCCC1=NC(=O)O[N-]1)C1CC2CCC1C2	REAL250005035009	0	34	-1.0	-45.44	273.94	2.06	-43.38
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL250005035010	0	33	-1.0	-44.55	292.30	2.62	-41.93
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005035011	0	33	-1.0	-47.59	298.05	2.22	-45.37
CCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005035012	0	37	-1.0	-48.45	319.29	2.44	-46.01
O=C(CC1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL250005035013	0	32	-1.0	-53.42	288.61	2.55	-50.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=O)C=C1	REAL250005035014	0	27	-1.0	-47.49	247.92	-1.53	-49.02
CC(OC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035015	0	34	-1.0	-49.79	293.49	2.73	-47.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=[N+]([O-])C=C1	REAL250005035016	0	27	-1.0	-53.57	250.74	0.17	-53.40
CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1O	REAL250005035017	0	31	-1.0	-48.61	272.22	0.79	-47.82
O=C(CCC1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL250005035018	0	39	-1.0	-45.35	310.11	3.19	-42.16
O=C(COC1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL250005035019	0	31	-1.0	-52.50	292.88	2.64	-49.86
CC1=CC=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005035020	0	34	-1.0	-50.15	298.25	2.78	-47.37
CC1=CC(C)=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005035021	0	37	-1.0	-50.03	319.66	3.44	-46.59
COC1=CC=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005035022	0	35	-1.0	-54.22	306.09	1.86	-52.36
CC1=CC=C(C)C(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005035023	0	37	-1.0	-49.60	318.33	3.49	-46.11
CC1=NOC(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035024	0	29	-1.0	-44.03	266.64	0.37	-43.66
CC1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005035025	0	33	-1.0	-45.19	280.79	2.88	-42.31
COC1=CC=C(C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035026	0	34	-1.0	-50.21	292.03	2.77	-47.44
O=C(CNC(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL250005035027	0	34	-1.0	-45.99	302.28	0.03	-45.96
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N1C	REAL250005035028	0	31	-1.0	-45.85	267.87	1.43	-44.42
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CCCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL250005035835	0	36	-1.0	-45.87	291.62	2.35	-43.52
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CC1CCN(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005035839	1	38	-1.0	-46.25	304.17	0.26	-45.99
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COCCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL250005035850	0	40	-1.0	-45.77	320.63	1.34	-44.43
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CSC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL250005036301	0	31	-1.0	-42.33	276.28	1.61	-40.72
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COC1CCCC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005036316	0	40	-1.0	-45.10	320.22	1.49	-43.61
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CCOC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCC1	REAL250005036991	0	40	-1.0	-47.43	325.60	2.98	-44.45
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CCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL250005036994	0	33	-1.0	-46.82	285.70	0.64	-46.18
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1O	REAL250005036995	0	35	-1.0	-51.58	308.19	-0.64	-52.22
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CSC1=NC=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037000	0	29	-1.0	-47.07	273.78	-0.78	-47.85
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CN1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL250005037004	0	34	-1.0	-60.06	287.98	1.21	-58.85
CCC1CCCC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037005	0	39	-1.0	-46.04	302.96	2.84	-43.20
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CC1=CN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2N=C1	REAL250005037056	0	32	-1.0	-56.50	288.88	1.09	-55.41
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CCN1C=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037069	0	31	-1.0	-43.84	287.06	2.38	-41.46
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COC1(C(=O)NCCC2=NC(=O)O[N-]2)CCSC1	REAL250005037072	0	32	-1.0	-41.76	275.22	0.08	-41.68
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CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037074	0	36	-1.0	-52.91	308.59	1.98	-50.93
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COC(=O)[C@@H]1C[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037077	0	30	-1.0	-52.40	273.68	0.66	-51.74
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CC1CCC2=C(C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=NN2	REAL250005037079	0	37	-1.0	-47.58	308.24	0.98	-46.60
CC1CCC2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL250005037079	1	37	-1.0	-44.80	307.12	1.04	-43.76
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NC(=O)[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005037081	0	34	-1.0	-57.00	288.33	-2.22	-59.22
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CC(=O)C1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037085	0	31	-1.0	-52.28	279.73	0.16	-52.12
COC1=CC(OC)=NC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005037086	0	33	-1.0	-44.33	300.78	-3.96	-48.29
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCS1(=O)=O	REAL250005037087	0	33	-1.0	-57.68	285.68	-0.87	-58.55
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CC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL250005037090	0	35	-1.0	-50.00	301.90	2.71	-47.29
CCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL250005037091	0	37	-1.0	-47.75	321.00	2.18	-45.57
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037092	0	39	-1.0	-51.89	312.92	2.88	-49.01
COC1=NN(C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037093	0	31	-1.0	-56.01	280.27	-2.42	-58.43
CC1=NNC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C12	REAL250005037094	0	33	-1.0	-51.86	289.70	0.92	-50.94
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CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1C#N	REAL250005037096	0	34	-1.0	-45.46	302.35	2.93	-42.53
CCCCCC(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037097	0	39	-1.0	-44.59	331.38	0.06	-44.53
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005037098	0	36	-1.0	-46.87	316.37	-0.28	-47.15
CC(C)(NC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037099	0	38	-1.0	-43.12	308.50	1.61	-41.51
CC1=CC(C)=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005037100	0	36	-1.0	-56.17	310.23	0.25	-55.92
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CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL250005037103	0	33	-1.0	-47.34	303.40	3.32	-44.02
CC1=NN(CCCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005037104	0	39	-1.0	-53.29	334.37	2.08	-51.21
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CC(C)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)CCO1	REAL250005037106	0	40	-1.0	-46.13	313.02	1.40	-44.73
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COC1(C(=O)NCCC2=NC(=O)O[N-]2)CS(=O)(=O)C1	REAL250005037109	0	31	-1.0	-51.85	277.15	-3.38	-55.23
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CCCCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005037113	0	36	-1.0	-45.84	303.07	2.77	-43.07
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COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CN=C1F	REAL250005037115	0	30	-1.0	-49.24	274.19	0.30	-48.94
CC1=CC(Cl)=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037116	0	29	-1.0	-43.48	278.89	0.92	-42.56
CC1(C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005037117	0	37	-1.0	-45.29	307.44	4.15	-41.14
CC(C)(C)CC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037118	0	41	-1.0	-45.30	303.77	2.37	-42.93
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CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037125	0	34	-1.0	-47.79	299.37	1.23	-46.56
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C=CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL250005037129	0	40	-1.0	-44.41	304.33	3.00	-41.41
CCOC(=O)[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037130	0	33	-1.0	-45.53	295.95	1.62	-43.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1F	REAL250005037131	0	26	-1.0	-45.13	260.00	0.30	-44.83
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O=C(NCCC1=NC(=O)O[N-]1)C1=C2OC=CC2=CC(F)=C1	REAL250005037133	0	30	-1.0	-49.07	276.62	2.54	-46.53
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)OC2=CC=C1	REAL250005037134	0	33	-1.0	-44.49	295.51	2.58	-41.91
CC(C)N1C=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005037135	0	36	-1.0	-54.00	310.17	1.36	-52.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C=CN1	REAL250005037136	0	27	-1.0	-57.44	248.22	-0.71	-58.15
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O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC=CC=C2O1	REAL250005037138	0	29	-1.0	-46.69	269.38	0.13	-46.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NN1C1CCC1	REAL250005037139	0	34	-1.0	-44.96	289.20	1.56	-43.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCC2	REAL250005037140	0	32	-1.0	-52.76	278.23	2.30	-50.46
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(C(C)(C)C)O1	REAL250005037141	0	39	-1.0	-44.30	329.29	3.10	-41.20
CC1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL250005037142	0	32	-1.0	-46.66	286.24	1.14	-45.52
CC[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037144	0	34	-1.0	-45.29	285.23	0.13	-45.16
CC1=CC=CC=C1C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037145	0	36	-1.0	-46.79	301.11	3.29	-43.50
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC=N1	REAL250005037146	0	29	-1.0	-43.40	267.88	-1.93	-45.33
COC1=NC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005037147	0	29	-1.0	-44.17	267.73	-3.63	-47.80
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CSCC(=O)N1	REAL250005037148	0	29	-1.0	-48.37	267.72	-2.13	-50.50
CC1=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)C=CO1	REAL250005037149	0	33	-1.0	-56.72	299.11	1.43	-55.29
CC(C)(CC(=O)NCCC1=NC(=O)O[N-]1)C(F)F	REAL250005037150	0	32	-1.0	-45.36	271.09	1.29	-44.07
CN1C(=O)CC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037151	0	31	-1.0	-53.25	272.25	-0.43	-53.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)F)=NC=N1	REAL250005037152	0	28	-1.0	-43.98	270.27	0.49	-43.49
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCC1F	REAL250005037153	0	33	-1.0	-47.53	274.30	1.88	-45.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)O1	REAL250005037154	0	27	-1.0	-41.20	268.69	0.78	-40.42
CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL250005037155	0	32	-1.0	-43.02	297.64	1.62	-41.40
CC1(C)C(C)(C)C1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037156	0	39	-1.0	-44.71	296.58	2.52	-42.19
CCC1=NOC(COCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005037157	0	35	-1.0	-55.95	315.47	-1.19	-57.14
CC1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005037158	0	32	-1.0	-44.88	278.02	1.14	-43.74
CC(C)C1(C(=O)NCCC2=NC(=O)O[N-]2)COC1	REAL250005037159	0	34	-1.0	-43.57	275.99	-0.14	-43.71
O=C(C=CCl)NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037160	0	31	-1.0	-53.12	297.75	-1.30	-54.42
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=COC2=CC=N1	REAL250005037161	0	29	-1.0	-47.97	265.75	0.17	-47.80
CCCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(=O)N1	REAL250005037162	0	36	-1.0	-52.54	312.65	0.53	-52.01
O=C(NCCC1=NC(=O)O[N-]1)C12CCOC1CCCC2	REAL250005037163	0	38	-1.0	-45.06	291.60	1.23	-43.83
CCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005037164	0	36	-1.0	-52.81	315.44	0.13	-52.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(F)C(Cl)=C1	REAL250005037165	0	26	-1.0	-43.26	260.91	0.19	-43.07
CC1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL250005037166	0	32	-1.0	-45.78	279.26	1.03	-44.75
CC(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005037168	0	36	-1.0	-50.96	306.11	0.75	-50.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2CCCCC2=N1	REAL250005037169	0	34	-1.0	-48.19	290.63	1.69	-46.50
CC1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CNC2=N1	REAL250005037170	0	32	-1.0	-71.24	285.52	0.41	-70.83
CC1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CN=C2N1	REAL250005037170	1	32	-1.0	-56.64	285.69	0.42	-56.22
CN1N=C(C2CC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037171	0	34	-1.0	-44.27	295.64	1.34	-42.93
CCC1=C(C)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005037172	0	36	-1.0	-51.43	304.89	0.58	-50.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2CC2)S1	REAL250005037173	0	34	-1.0	-44.39	310.37	3.69	-40.70
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=CNN=C21	REAL250005037174	0	31	-1.0	-47.97	269.73	-0.29	-48.26
O=C(CC1CCCOCC1)NCCC1=NC(=O)O[N-]1	REAL250005037175	0	37	-1.0	-46.05	291.85	1.02	-45.03
C=CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005037176	0	31	-1.0	-46.92	282.67	0.71	-46.21
CC12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)CO2	REAL250005037177	0	38	-1.0	-44.42	300.70	0.96	-43.46
CC1CCC(C)(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005037178	0	39	-1.0	-45.83	302.28	2.78	-43.05
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)SN=N1	REAL250005037179	0	31	-1.0	-42.10	284.95	0.06	-42.04
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2=CNN=C21	REAL250005037180	0	34	-1.0	-47.50	286.12	0.49	-47.01
CC1(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)CC1	REAL250005037181	0	37	-1.0	-46.98	309.78	4.01	-42.97
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1	REAL250005037182	0	33	-1.0	-46.59	296.67	2.91	-43.68
CN1C=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL250005037183	0	29	-1.0	-59.31	263.96	-1.24	-60.55
CC1=NOC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037184	0	32	-1.0	-46.68	286.25	1.19	-45.49
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2CCC2)=C1	REAL250005037185	0	33	-1.0	-42.90	292.16	1.72	-41.18
CC1(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)CC1	REAL250005037186	0	33	-1.0	-42.92	294.57	1.62	-41.30
CC1(C)C(CC(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL250005037187	0	39	-1.0	-46.03	310.85	2.87	-43.16
CC1(C)CC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL250005037188	0	40	-1.0	-45.00	320.87	3.38	-41.62
C[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL250005037189	0	42	-1.0	-44.92	323.90	3.27	-41.65
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC)=N1	REAL250005037190	0	34	-1.0	-49.66	300.43	-1.72	-51.38
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL250005037191	0	41	-1.0	-45.26	319.64	2.85	-42.41
CC1(C)C2CCC(C2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037192	0	40	-1.0	-43.89	296.16	2.86	-41.03
NC(=O)C1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037193	0	34	-1.0	-54.40	302.48	-1.01	-55.41
C[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)N1C=NN=N1	REAL250005037194	0	28	-1.0	-54.21	255.36	-0.81	-55.02
C=C(F)C1(CC(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL250005037195	0	34	-1.0	-47.52	284.07	2.08	-45.44
N#CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL250005037196	0	28	-1.0	-50.30	268.64	2.00	-48.30
NC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL250005037197	0	30	-1.0	-53.48	275.44	-3.38	-56.86
O=C(CC(O)C1CCCC1)NCCC1=NC(=O)O[N-]1	REAL250005037198	0	37	-1.0	-48.79	298.87	0.47	-48.32
NC(=O)C1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037199	0	30	-1.0	-55.45	275.44	-3.39	-58.84
CC1(OCC(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL250005037200	0	37	-1.0	-48.70	301.52	2.00	-46.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=N1	REAL250005037201	0	32	-1.0	-47.69	286.72	2.11	-45.58
O=C(CCC1CC(F)(F)C1)NCCC1=NC(=O)O[N-]1	REAL250005037202	0	33	-1.0	-46.57	290.85	2.25	-44.32
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1F	REAL250005037203	0	29	-1.0	-44.28	267.30	0.40	-43.88
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2CCCO[C@H]21	REAL250005037204	0	32	-1.0	-44.47	269.90	0.08	-44.39
CC1(C)CC1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037205	0	36	-1.0	-45.42	301.05	2.71	-42.71
O=C(COC1=CC=C(F)C=N1)NCCC1=NC(=O)O[N-]1	REAL250005037206	0	30	-1.0	-47.08	280.76	-0.40	-47.48
CC1(C)COCC(CC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005037207	0	38	-1.0	-49.98	310.36	0.50	-49.48
CC1(C)CC(C(=O)NCCC2=NC(=O)O[N-]2)CCO1	REAL250005037208	0	37	-1.0	-46.25	294.92	0.53	-45.72
O=C(CCCCC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL250005037209	0	32	-1.0	-45.88	290.54	1.95	-43.93
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1C[C@@H](OC(F)F)C1	REAL250005037210	0	31	-1.0	-47.48	280.19	-0.16	-47.64
CN1N=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037211	0	30	-1.0	-43.27	278.10	-0.25	-43.52
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CSC=N1	REAL250005037212	0	26	-1.0	-45.55	261.44	-0.02	-45.57
CC(C)(C)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005037213	0	38	-1.0	-45.18	319.78	2.42	-42.76
CC(C)(C)N1N=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037214	0	36	-1.0	-42.93	294.19	1.21	-41.72
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1C1CC1	REAL250005037215	0	37	-1.0	-45.63	299.02	3.13	-42.50
COC1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037216	0	34	-1.0	-49.08	283.17	0.28	-48.80
O=C(NCCC1=NC(=O)O[N-]1)C1CC2CCCC21	REAL250005037217	0	34	-1.0	-45.36	272.47	2.25	-43.11
COC(=O)[C@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005037218	0	33	-1.0	-53.18	289.43	1.16	-52.02
CCCCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL250005037219	0	35	-1.0	-45.18	316.14	1.72	-43.46
CCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL250005037220	0	29	-1.0	-45.00	273.98	0.00	-45.00
O=C(NCCC1=NC(=O)O[N-]1)C1=NNC=C1C1CC1	REAL250005037221	0	31	-1.0	-48.32	274.41	0.12	-48.20
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2CC2CC1	REAL250005037222	0	37	-1.0	-44.79	283.05	2.73	-42.06
O=C(CC1CCC=CCC1)NCCC1=NC(=O)O[N-]1	REAL250005037223	0	37	-1.0	-45.16	293.88	2.90	-42.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CCCOCC1	REAL250005037224	0	32	-1.0	-45.63	266.17	0.03	-45.60
CC1(C)CCC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005037225	0	37	-1.0	-44.84	295.20	2.72	-42.12
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCO1	REAL250005037226	0	38	-1.0	-43.92	307.34	-0.17	-44.09
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CCO[C@@H]1CCCCC2	REAL250005037227	0	41	-1.0	-43.70	292.91	1.80	-41.90
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL250005037228	0	30	-1.0	-47.88	283.08	-1.29	-49.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2)O1	REAL250005037229	0	31	-1.0	-44.00	280.94	1.97	-42.03
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL250005037230	0	37	-1.0	-48.71	314.19	2.00	-46.71
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)F	REAL250005037231	0	30	-1.0	-47.11	278.12	-0.02	-47.13
CC(C)CC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL250005037232	0	35	-1.0	-45.30	311.38	1.41	-43.89
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL250005037233	0	35	-1.0	-45.56	283.01	2.82	-42.74
CC1CC2CC2CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037234	0	37	-1.0	-45.34	295.91	2.89	-42.45
CCCC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037235	0	36	-1.0	-45.25	299.08	3.70	-41.55
COC12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)CC2	REAL250005037236	0	41	-1.0	-44.99	314.17	1.34	-43.65
CC(=O)N1CSC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037237	0	32	-1.0	-53.86	284.66	0.72	-53.14
CN1C=CC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037238	0	30	-1.0	-55.96	267.57	1.02	-54.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SC=NC2=C1	REAL250005037239	0	29	-1.0	-50.14	274.31	0.92	-49.22
CCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)N1	REAL250005037240	0	30	-1.0	-47.09	268.66	-0.44	-47.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1O	REAL250005037241	1	28	-1.0	-49.91	258.36	0.15	-49.76
CC1=NC=C([N+](=O)[O-])N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037242	0	32	-1.0	-52.18	295.40	2.50	-49.68
COC1=CC(C#N)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037243	0	32	-1.0	-49.94	291.39	2.49	-47.45
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CCOCCOCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037273	0	37	-1.0	-46.08	318.92	-0.50	-46.58
CC1(OCC(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL250005037274	0	38	-1.0	-49.52	307.69	0.24	-49.28
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CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCNC(=O)C1	REAL250005037276	0	34	-1.0	-55.25	281.96	-1.85	-57.10
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COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL250005037279	0	34	-1.0	-47.01	292.76	1.58	-45.43
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COCC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL250005037282	0	40	-1.0	-44.35	317.46	1.50	-42.85
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CCCC(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC	REAL250005037284	0	35	-1.0	-51.91	297.31	2.42	-49.49
CN(C)C(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037285	0	33	-1.0	-46.16	285.71	-0.51	-46.67
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CC1=CC=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C12	REAL250005037289	0	35	-1.0	-46.56	304.70	2.75	-43.81
CCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=N1	REAL250005037290	0	36	-1.0	-49.43	309.47	1.51	-47.92
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CC(C)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL250005037292	0	40	-1.0	-46.31	319.88	0.18	-46.13
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CC(=O)N[C@H]1CC[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005037294	0	40	-1.0	-48.01	324.30	0.55	-47.46
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CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(C)O1	REAL250005037310	0	33	-1.0	-45.06	288.37	1.92	-43.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2CC2(F)F)N=C1	REAL250005037311	0	31	-1.0	-48.76	288.32	0.90	-47.86
CN1N=NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C21	REAL250005037312	0	32	-1.0	-48.44	282.31	-0.23	-48.67
CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005037313	0	33	-1.0	-44.73	288.37	1.93	-42.80
CCC(F)(F)C(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037314	0	35	-1.0	-52.08	289.29	1.80	-50.28
CC1OCCC1(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037315	0	31	-1.0	-42.43	268.70	-0.71	-43.14
CN1C=CC([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005037316	0	34	-1.0	-52.13	300.69	1.33	-50.80
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C1C(=O)NCC2	REAL250005037317	0	32	-1.0	-64.64	283.28	-0.43	-65.07
O=C(COCCC1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL250005037318	0	34	-1.0	-48.77	314.13	2.48	-46.29
COC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCOC1	REAL250005037319	0	38	-1.0	-48.21	308.29	0.16	-48.05
CN1C=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL250005037320	0	34	-1.0	-50.63	296.93	3.30	-47.33
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C2OC=CC2=C1	REAL250005037321	0	30	-1.0	-50.15	275.17	1.96	-48.19
CC(=O)N[C@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005037322	0	40	-1.0	-54.62	328.73	0.14	-54.48
CCC(C)(C)CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037323	0	41	-1.0	-45.43	320.37	2.97	-42.46
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005037324	0	37	-1.0	-46.29	317.24	4.24	-42.05
O=C(NCCC1=NC(=O)O[N-]1)C1CCCNS1(=O)=O	REAL250005037325	0	32	-1.0	-53.25	284.58	-4.39	-57.64
CCC(C)(C)C(O)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037326	0	36	-1.0	-44.65	284.21	0.02	-44.63
CCCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)O1	REAL250005037327	0	36	-1.0	-44.40	309.87	2.71	-41.69
CN1C=CC2=CC=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C21	REAL250005037328	0	33	-1.0	-48.31	291.91	1.06	-47.25
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC=N1	REAL250005037329	0	29	-1.0	-44.57	261.76	-2.40	-46.97
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CCC2)OC=N1	REAL250005037330	0	33	-1.0	-45.11	288.02	-0.93	-46.04
O=C(CCC1=CC=C(Cl)N=C1)NCCC1=NC(=O)O[N-]1	REAL250005037331	0	32	-1.0	-46.59	301.04	1.66	-44.93
CC(C)(C)C1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037332	0	38	-1.0	-44.88	314.80	2.05	-42.83
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC12CCOCC2	REAL250005037333	0	41	-1.0	-46.30	314.12	1.47	-44.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC=CC=C2N=C1	REAL250005037334	0	31	-1.0	-49.56	279.62	0.03	-49.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=CS1	REAL250005037335	0	26	-1.0	-45.10	247.60	-0.65	-45.75
CC1(C)CC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005037336	0	36	-1.0	-45.63	289.48	1.98	-43.65
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)N(C)N=C1	REAL250005037337	0	36	-1.0	-44.52	311.50	1.14	-43.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC2=NC=CN12	REAL250005037338	0	27	-1.0	-44.13	257.01	1.20	-42.93
O=C(CC1=CC2=CC=CN=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL250005037339	0	35	-1.0	-51.57	309.05	2.58	-48.99
CSC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL250005037340	0	33	-1.0	-44.68	286.98	1.75	-42.93
NC(=O)C1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005037341	0	29	-1.0	-43.00	272.35	-5.21	-48.21
CN1N=C(C2CCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037342	0	37	-1.0	-43.97	310.65	1.80	-42.17
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=N1	REAL250005037343	0	32	-1.0	-45.54	281.71	1.00	-44.54
O=C(NCCC1=NC(=O)O[N-]1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL250005037344	0	34	-1.0	-43.04	300.73	3.57	-39.47
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL250005037345	0	33	-1.0	-46.70	290.26	2.84	-43.86
O=C(CSCCC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL250005037346	0	30	-1.0	-47.11	292.08	1.74	-45.37
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2=NC=NN21	REAL250005037347	0	33	-1.0	-47.06	281.74	1.94	-45.12
O=C(CC1(O)CCCOC1)NCCC1=NC(=O)O[N-]1	REAL250005037348	0	35	-1.0	-50.71	287.01	-1.71	-52.42
CC(C)(OCC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037349	0	33	-1.0	-51.60	293.79	1.19	-50.41
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1C(F)(F)F	REAL250005037350	0	33	-1.0	-45.63	288.63	2.05	-43.58
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N=C1	REAL250005037351	0	35	-1.0	-46.29	306.47	2.20	-44.09
CCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL250005037352	0	36	-1.0	-52.18	312.80	0.79	-51.39
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCO1	REAL250005037353	0	35	-1.0	-44.43	295.54	-1.19	-45.62
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL250005037354	0	35	-1.0	-53.97	307.37	2.39	-51.58
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O=C(NCCC1=NC(=O)O[N-]1)C1=C2C(=O)NCCN2N=C1	REAL250005037697	0	32	-1.0	-58.91	282.32	-1.73	-60.64
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CC1=CN2C(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C2S1	REAL250005037701	0	30	-1.0	-47.27	280.13	1.95	-45.32
CC(C)(C)C1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037702	0	38	-1.0	-45.54	317.32	2.18	-43.36
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCOC1	REAL250005037703	0	34	-1.0	-44.89	279.51	-0.09	-44.98
CC1=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C2C=C1	REAL250005037704	0	35	-1.0	-46.38	305.98	2.57	-43.81
O=C(NCCC1=NC(=O)O[N-]1)C1COC2COCC21	REAL250005037705	0	33	-1.0	-49.18	270.00	-1.96	-51.14
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC(=O)C2)CC1	REAL250005037706	0	39	-1.0	-48.96	316.42	2.56	-46.40
CC1CCOC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037707	0	34	-1.0	-49.49	278.37	0.62	-48.87
COC(=O)C1=CSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037708	0	30	-1.0	-50.60	291.36	1.19	-49.41
CC(C)(C)C1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037709	0	38	-1.0	-44.88	314.80	2.05	-42.83
COC1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL250005037710	0	40	-1.0	-48.79	324.24	1.42	-47.37
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C	REAL250005037711	0	30	-1.0	-48.39	268.26	-0.20	-48.59
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O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2C1C2(F)F	REAL250005037713	0	34	-1.0	-50.81	285.60	2.43	-48.38
C=C1CC2(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL250005037714	0	35	-1.0	-45.54	296.99	2.88	-42.66
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037715	0	45	-1.0	-44.01	320.43	3.77	-40.24
CCC1=CC=C(C(=O)C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL250005037716	0	32	-1.0	-41.27	298.80	2.00	-39.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CCCC2)=NN1	REAL250005037717	0	37	-1.0	-44.12	309.67	1.09	-43.03
CN1N=CC(C#N)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037718	0	28	-1.0	-46.84	270.41	-0.58	-47.42
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC=C1C(F)F	REAL250005037719	0	32	-1.0	-45.88	290.52	1.24	-44.64
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CC1=C(Cl)C=NN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037721	0	30	-1.0	-50.98	285.40	0.58	-50.40
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CN1N=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005037723	0	32	-1.0	-62.93	286.09	0.18	-62.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2OCCCC2=C1	REAL250005037724	0	34	-1.0	-47.23	292.06	-0.95	-48.18
O=C(CC12CCC(CC1)C2)NCCC1=NC(=O)O[N-]1	REAL250005037725	0	37	-1.0	-46.07	291.48	2.79	-43.28
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CCCOCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037727	0	36	-1.0	-48.14	306.44	0.84	-47.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=NN=C2C=N1	REAL250005037728	0	28	-1.0	-45.56	261.42	1.10	-44.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=NC=CC=C12	REAL250005037729	0	32	-1.0	-48.12	279.11	1.89	-46.23
CC1=CC2=C(OCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037730	0	35	-1.0	-52.08	299.65	2.96	-49.12
O=C(NCCC1=NC(=O)O[N-]1)C1=C2SC=CC2=CN=C1	REAL250005037731	0	29	-1.0	-48.16	273.01	1.13	-47.03
CC(C)C(C)C(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037732	0	41	-1.0	-44.69	313.56	2.73	-41.96
COC1CC2(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL250005037733	0	38	-1.0	-45.71	316.98	1.35	-44.36
CO[C@@H]1C[C@@]2(C(=O)NCCC3=NC(=O)O[N-]3)C[C@@H]12	REAL250005037734	0	32	-1.0	-49.09	280.30	0.18	-48.91
CC1(C)CCC(C(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL250005037735	0	37	-1.0	-44.17	294.91	0.57	-43.60
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CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCO1	REAL250005037738	0	34	-1.0	-45.87	275.16	0.97	-44.90
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O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN2N=NC=C12	REAL250005037741	0	29	-1.0	-55.86	263.84	0.03	-55.83
COCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N1	REAL250005037742	0	32	-1.0	-47.41	284.87	-0.96	-48.37
CN1C=NC2=C1CCCC2C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037743	0	37	-1.0	-49.69	307.31	3.37	-46.32
O=C(CC1CC2(CC2)C1)NCCC1=NC(=O)O[N-]1	REAL250005037744	0	34	-1.0	-46.29	288.19	2.68	-43.61
COC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005037745	0	30	-1.0	-44.54	285.24	-1.08	-45.62
CC1=NN(C)C(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037746	0	33	-1.0	-51.65	290.86	0.33	-51.32
CCC(C)CC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037747	0	38	-1.0	-45.25	302.01	2.56	-42.69
CC(C)N(C)C(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037748	0	39	-1.0	-45.79	323.30	1.02	-44.77
CC1C(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)C1C	REAL250005037749	0	36	-1.0	-53.37	309.21	0.29	-53.08
O=C(CC1=CSC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL250005037750	0	27	-1.0	-46.57	274.95	1.77	-44.80
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(F)(CC1)C2	REAL250005037751	0	34	-1.0	-46.47	283.11	2.07	-44.40
CC(CC(=O)NCCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL250005037752	0	32	-1.0	-48.51	280.61	1.59	-46.92
CC1(C)CC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005037753	0	37	-1.0	-45.56	306.34	3.04	-42.52
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC12CCC2	REAL250005037754	0	37	-1.0	-45.99	295.51	2.83	-43.16
CC1COC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL250005037755	0	35	-1.0	-52.72	299.07	2.93	-49.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2CCOCC2=C1	REAL250005037756	0	34	-1.0	-45.66	292.25	-0.20	-45.86
CC1=NN=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)CN12	REAL250005037757	0	33	-1.0	-50.87	286.76	1.63	-49.24
CC12CC(CC(=O)NCCC3=NC(=O)O[N-]3)(C1)CO2	REAL250005037758	0	35	-1.0	-49.62	290.52	0.43	-49.19
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL250005037759	0	40	-1.0	-45.78	304.52	3.19	-42.59
O=C(CCC12CCC(CC1)C2)NCCC1=NC(=O)O[N-]1	REAL250005037760	0	40	-1.0	-44.92	316.50	3.53	-41.39
O=C(CC12CC(C1)C(=O)NC2)NCCC1=NC(=O)O[N-]1	REAL250005037761	0	35	-1.0	-51.94	290.96	-1.28	-53.22
CC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C#N	REAL250005037762	0	30	-1.0	-45.83	278.49	0.62	-45.21
O=C(NCCC1=NC(=O)O[N-]1)C(F)C1CCOC1	REAL250005037763	0	31	-1.0	-47.84	266.18	-0.64	-48.48
CCC1(C)CCC(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005037764	0	37	-1.0	-49.81	302.53	1.89	-47.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SN=CC2=C1	REAL250005037765	0	29	-1.0	-46.12	274.89	1.72	-44.40
O=C(NCCC1=NC(=O)O[N-]1)C1CC2(CCC2)CO1	REAL250005037766	0	35	-1.0	-49.12	290.68	1.55	-47.57
O=C(CC1CCCCC1(F)F)NCCC1=NC(=O)O[N-]1	REAL250005037767	0	36	-1.0	-43.04	297.30	2.56	-40.48
O=C(NCCC1=NC(=O)O[N-]1)C1CC2(CC(F)C2)C1	REAL250005037768	0	34	-1.0	-46.44	290.14	2.46	-43.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CN=NN2C=C1	REAL250005037769	0	29	-1.0	-48.98	264.71	0.11	-48.87
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2=NC=CC=C21	REAL250005037770	0	36	-1.0	-47.01	300.24	2.21	-44.80
CN1C=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005037771	0	31	-1.0	-49.59	291.64	0.51	-49.08
O=C(CC1CC2(CCC2)CO1)NCCC1=NC(=O)O[N-]1	REAL250005037772	0	38	-1.0	-49.18	311.35	1.85	-47.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CCF)C=C1	REAL250005037773	0	33	-1.0	-46.75	292.78	3.12	-43.63
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CSC=C2C1	REAL250005037774	0	31	-1.0	-45.16	280.40	2.23	-42.93
CC1=CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC2=N1	REAL250005037775	0	33	-1.0	-47.16	291.54	2.71	-44.45
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=CNC2=N1	REAL250005037776	0	32	-1.0	-47.51	286.72	0.63	-46.88
CC1(C)CCCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005037777	0	42	-1.0	-44.30	309.61	3.07	-41.23
CC(C)[C@H]1CC[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005037778	0	42	-1.0	-45.92	318.46	3.37	-42.55
COC1=CN=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037779	0	29	-1.0	-44.88	265.35	-2.04	-46.92
CC(F)(F)[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037780	0	30	-1.0	-44.20	271.91	1.55	-42.65
CC1CC(=O)NCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037781	0	34	-1.0	-47.57	285.25	-1.68	-49.25
NC(=O)C1=CC(F)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037782	0	31	-1.0	-52.17	284.21	-1.61	-53.78
CC1(C)C(C)(C)C1(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037783	0	36	-1.0	-43.75	294.18	2.49	-41.26
COC1(C#N)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005037784	0	32	-1.0	-48.07	285.57	-0.41	-48.48
CC1(C)CC(CC(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL250005037785	0	37	-1.0	-48.27	303.69	0.79	-47.48
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(F)=C1F	REAL250005037786	0	31	-1.0	-43.61	285.27	0.97	-42.64
O=C(CC1CCC(=O)NC1=O)NCCC1=NC(=O)O[N-]1	REAL250005037787	0	33	-1.0	-57.65	284.63	-0.81	-58.46
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCC(=O)C1	REAL250005037788	0	35	-1.0	-45.11	283.31	1.35	-43.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NNC=C2)=C1	REAL250005037789	0	34	-1.0	-55.90	302.19	1.58	-54.32
CC1=CC=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C21	REAL250005037790	0	33	-1.0	-47.12	291.80	0.87	-46.25
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CCOCC2)O1	REAL250005037791	0	39	-1.0	-50.33	316.41	0.68	-49.65
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CCC2)O1	REAL250005037792	0	35	-1.0	-49.95	292.15	1.75	-48.20
CC1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005037793	0	39	-1.0	-44.15	300.51	2.90	-41.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CCC2=C1	REAL250005037794	0	31	-1.0	-47.62	270.98	2.91	-44.71
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL250005037795	0	33	-1.0	-44.92	297.53	3.20	-41.72
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C=CC(C2CC2)=N1	REAL250005037796	0	37	-1.0	-51.46	318.37	2.20	-49.26
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=NC=CN2C=C1	REAL250005037797	0	29	-1.0	-49.62	267.09	2.73	-46.89
CCCN1C=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005037798	0	33	-1.0	-47.99	306.87	1.44	-46.55
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)N=C1C	REAL250005037799	0	32	-1.0	-49.36	289.59	1.36	-48.00
COC(=O)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005037800	0	36	-1.0	-48.76	304.73	1.71	-47.05
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=NC=CC=C2F)CC1	REAL250005037801	0	33	-1.0	-48.34	300.43	1.73	-46.61
CC1=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=NN1	REAL250005037802	0	27	-1.0	-44.73	261.95	-0.89	-45.62
CC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL250005037802	1	27	-1.0	-44.73	261.95	-0.89	-45.62
NC(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005037803	0	31	-1.0	-53.86	282.33	-1.59	-55.45
N#CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(=O)C1	REAL250005037804	0	27	-1.0	-44.29	256.26	-0.23	-44.52
CC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)CCO2	REAL250005037805	0	35	-1.0	-45.16	285.15	0.35	-44.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CCC2)=NO1	REAL250005037806	0	33	-1.0	-41.44	289.58	1.51	-39.93
CC(C)(C#N)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005037807	0	33	-1.0	-52.04	283.93	1.31	-50.73
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