CC(C)(C)OC(=O)NC1=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=N1	REAL300012108001	0	36	-2.0	-133.88	320.54	7.04	-126.84
CC(C)(C)OC(=O)NC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300012108002	0	41	-2.0	-146.12	352.21	7.63	-138.49
CC(C)(C)OC(=O)NC1=CC=NC=C1C(=CC(=O)[O-])C(=O)[O-]	REAL300012108004	0	36	-2.0	-129.34	315.12	6.19	-123.15
CC(C)(C)OC(=O)NC1=CC=NC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108005	0	41	-2.0	-129.77	348.48	6.53	-123.24
O=C([O-])C1=CC(C2=CC(Cl)=C(Cl)C(Cl)=C2)=CN=C1C(=O)[O-]	REAL300012108007	0	25	-2.0	-129.65	281.11	9.13	-120.52
COC(=O)C1=CC=C(C)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108009	0	34	-2.0	-142.45	307.35	8.80	-133.65
COC1=NC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300012108012	0	31	-2.0	-131.32	298.86	5.48	-125.84
O=C([O-])C1=CC(C2=CC(C3=CC=CC=C3)=CO2)=CN=C1C(=O)[O-]	REAL300012108014	0	32	-2.0	-135.73	294.30	9.44	-126.29
O=C([O-])C1=CC(C2=CC=C(C3CC3)C=C2Cl)=CN=C1C(=O)[O-]	REAL300012108016	0	32	-2.0	-133.64	298.75	10.17	-123.47
O=C([O-])C1=CC(C2=CC=C(Cl)C(Cl)=C2F)=CN=C1C(=O)[O-]	REAL300012108018	0	25	-2.0	-135.28	273.49	8.75	-126.53
O=C([O-])C1=CC(C2=CC(Cl)=C(Cl)C=C2Cl)=CN=C1C(=O)[O-]	REAL300012108020	0	25	-2.0	-127.98	281.49	9.04	-118.94
COC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(Cl)=C1F	REAL300012108022	0	29	-2.0	-138.93	284.72	7.49	-131.44
O=C([O-])C1=CC(C2=CC=C(Cl)C(Cl)=C2Cl)=CN=C1C(=O)[O-]	REAL300012108024	0	25	-2.0	-133.65	279.95	9.05	-124.60
O=C([O-])C1=CC(C2=CCC3(CC2)OCCO3)=CN=C1C(=O)[O-]	REAL300012108026	0	35	-2.0	-136.24	303.78	7.04	-129.20
CN(C)C1=NC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300012108028	0	32	-2.0	-130.45	299.11	6.78	-123.67
O=C([O-])C1=CC(C2=C(F)N(C3=CC=CC=C3)N=C2)=CN=C1C(=O)[O-]	REAL300012108030	0	32	-2.0	-135.25	307.33	9.14	-126.11
CC(C)(C)OC(=O)NC1CC=C(C(=CC(=O)[O-])C(=O)[O-])CC1	REAL300012108032	0	41	-2.0	-137.18	341.21	7.57	-129.61
CC(C)(C)OC(=O)NC1CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300012108033	0	46	-2.0	-137.93	379.98	7.87	-130.06
COC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C(C2CC2)C=C1Cl	REAL300012108035	0	36	-2.0	-133.34	329.55	9.49	-123.85
CC1=CC=CC2=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=CN=C12	REAL300012108037	0	33	-2.0	-137.57	292.19	8.77	-128.80
CCC1=CC=C(C(=CC(=O)[O-])C(=O)[O-])N1C(=O)OC(C)(C)C	REAL300012108039	0	39	-2.0	-149.35	326.22	9.94	-139.41
CCC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)N1C(=O)OC(C)(C)C	REAL300012108040	0	44	-2.0	-138.56	363.06	9.84	-128.72
N#CC1=C(Cl)C=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1F	REAL300012108042	0	26	-2.0	-131.11	277.82	8.53	-122.58
C=CCCCOC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108044	0	39	-2.0	-135.47	337.91	9.93	-125.54
C=CCCOC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108046	0	36	-2.0	-135.14	316.41	9.15	-125.99
CC1=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300012108048	0	33	-2.0	-148.84	294.53	8.70	-140.14
COC1=NSC(OC)=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108050	0	29	-2.0	-138.43	290.26	3.28	-135.15
O=C([O-])C1=CC(C2=CC=C(C(F)(F)F)C(Cl)=C2)=CN=C1C(=O)[O-]	REAL300012108055	0	28	-2.0	-133.39	285.90	9.10	-124.29
O=C([O-])C1=CC(C2=CC(C(F)(F)F)=CC=C2Cl)=CN=C1C(=O)[O-]	REAL300012108057	0	28	-2.0	-133.48	288.35	9.13	-124.35
COC1=CC(CO)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108059	0	33	-2.0	-139.92	297.57	4.49	-135.43
O=C([O-])C=C(C(=O)[O-])C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012108061	0	26	-2.0	-123.85	267.19	9.24	-114.61
O=C([O-])C1=CC(C2=CC=C(C(F)(F)C(F)(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012108062	0	31	-2.0	-131.64	301.97	9.43	-122.21
O=C([O-])C1=CC(C2=CC=CC(C3=CC=CC=C3)=C2)=CN=C1C(=O)[O-]	REAL300012108067	0	35	-2.0	-138.56	308.26	11.11	-127.45
O=C([O-])C1=CC(C2=C(F)C=C3C=COC3=C2)=CN=C1C(=O)[O-]	REAL300012108069	0	28	-2.0	-139.95	272.59	8.24	-131.71
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C(=CC(=O)[O-])C(=O)[O-]	REAL300012108071	0	40	-2.0	-132.72	349.79	5.61	-127.11
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108072	0	45	-2.0	-134.48	382.19	6.67	-127.81
O=C([O-])C=C(C(=O)[O-])C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012108074	0	30	-2.0	-135.17	288.07	10.37	-124.80
O=C([O-])C1=CC(C2=CC=CC(C3CC(F)(F)C3(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012108075	0	35	-2.0	-137.64	319.32	10.38	-127.26
O=C([O-])C1=CC(C2=CC=C(CBr)C=C2)=CN=C1C(=O)[O-]	REAL300012108077	0	28	-2.0	-136.36	274.04	8.95	-127.41
O=C([O-])C1=CC(C2=CC(F)=C(F)C=C2Cl)=CN=C1C(=O)[O-]	REAL300012108079	0	25	-2.0	-127.83	262.30	8.19	-119.64
C=CCOC1=CN=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108081	0	32	-2.0	-133.22	290.10	6.57	-126.65
O=C([O-])C1=CC(C2=CC=C3NC(=O)C(=O)C3=C2)=CN=C1C(=O)[O-]	REAL300012108083	0	29	-2.0	-137.97	278.92	5.17	-132.80
O=C([O-])C1=CC(C2=CC=C3C(=O)C(=O)NC3=C2)=CN=C1C(=O)[O-]	REAL300012108085	0	29	-2.0	-134.83	278.80	5.17	-129.66
O=C([O-])C1=CC(C2=CC=NN2C2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300012108087	0	32	-2.0	-135.88	292.07	8.52	-127.36
O=C([O-])C1=CC(C2=C3OC=CC3=CC(F)=C2)=CN=C1C(=O)[O-]	REAL300012108092	0	28	-2.0	-135.49	271.25	8.21	-127.28
O=C([O-])C1=CC(C2=CC=CC(C(F)C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012108094	0	31	-2.0	-134.00	294.94	9.33	-124.67
O=C([O-])C=C(C(=O)[O-])C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012108096	0	26	-2.0	-132.02	270.83	9.47	-122.55
O=C([O-])C1=CC(C2=CC=CC(C(F)(F)C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012108097	0	31	-2.0	-132.18	301.94	9.44	-122.74
O=C([O-])C1=CC(C2=CC=C(C(F)C(F)(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012108099	0	31	-2.0	-134.32	294.98	9.34	-124.98
CS(=O)(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012108101	0	31	-2.0	-141.27	291.47	5.09	-136.18
O=C([O-])C1=CC(C2=CC=CC(CN3CCOCC3)=C2)=CN=C1C(=O)[O-]	REAL300012108103	0	41	-2.0	-136.95	339.61	6.64	-130.31
COC1=CC(Cl)=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300012108105	0	29	-2.0	-132.28	295.05	7.94	-124.34
COC(=O)C1=CC([N+](=O)[O-])=CC(C(=CC(=O)[O-])C(=O)[O-])=C1C	REAL300012108107	0	31	-2.0	-127.01	293.80	9.25	-117.76
COC(=O)C1=CC([N+](=O)[O-])=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300012108108	0	36	-2.0	-132.23	330.47	9.37	-122.86
COC1=CC=C(Cl)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108110	0	29	-2.0	-137.31	279.06	7.42	-129.89
O=C([O-])C1=CC(C2=CC=C3OCOC3=C2F)=CN=C1C(=O)[O-]	REAL300012108112	0	28	-2.0	-135.28	271.41	6.55	-128.73
CC(C)(C)OC(=O)N1CCOC2=CC=CC(C(=CC(=O)[O-])C(=O)[O-])=C2C1	REAL300012108114	0	45	-2.0	-151.19	366.37	9.93	-141.26
CC(C)(C)OC(=O)NCC1=C(C(=CC(=O)[O-])C(=O)[O-])SC=C1	REAL300012108116	0	37	-2.0	-142.95	322.43	7.60	-135.35
CC(C)(C)OC(=O)NCC1=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)SC=C1	REAL300012108117	0	42	-2.0	-146.57	373.83	7.25	-139.32
CC1=CC(Cl)=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300012108119	0	31	-2.0	-137.83	288.67	9.35	-128.48
O=C([O-])C1=CC(C2=C(F)C=C3OC=CC3=C2)=CN=C1C(=O)[O-]	REAL300012108121	0	28	-2.0	-139.59	272.73	8.26	-131.33
CCN1N=CC(NC(=O)C(F)(F)F)=C1C(=CC(=O)[O-])C(=O)[O-]	REAL300012108123	0	30	-2.0	-116.98	297.77	5.32	-111.66
CCN1N=CC(NC(=O)C(F)(F)F)=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108124	0	35	-2.0	-124.66	335.21	5.56	-119.10
O=C([O-])C1=CC(C2=CC=C(N3CC[C@@H](O)C3)N=C2)=CN=C1C(=O)[O-]	REAL300012108126	0	37	-2.0	-138.37	315.12	4.21	-134.16
O=C([O-])C1=CC(C2=CC3=NC=CN=C3C=C2Cl)=CN=C1C(=O)[O-]	REAL300012108128	0	29	-2.0	-138.36	285.50	6.56	-131.80
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C(=CC(=O)[O-])C(=O)[O-]	REAL300012108130	0	40	-2.0	-124.70	341.17	5.20	-119.50
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108131	0	45	-2.0	-131.25	380.26	5.48	-125.77
CCN1N=CC(NC(=O)OC(C)(C)C)=C1C(=CC(=O)[O-])C(=O)[O-]	REAL300012108133	0	40	-2.0	-124.05	342.25	6.18	-117.87
CCN1N=CC(NC(=O)OC(C)(C)C)=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108134	0	45	-2.0	-129.12	381.71	6.44	-122.68
CC1=NC2=CC=CC=C2C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108136	0	33	-2.0	-133.86	298.15	8.62	-125.24
O=C([O-])C1=CC(C2=CC(F)=CC(OC(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012108138	0	29	-2.0	-135.47	279.72	7.33	-128.14
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OC(F)(F)C(F)(F)F)C=C1	REAL300012108141	0	27	-2.0	-124.49	276.09	8.24	-116.25
O=C([O-])C1=CC(C2=CC=C(OC(F)(F)C(F)(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012108142	0	32	-2.0	-133.86	310.88	8.43	-125.43
O=C([O-])C1=CC(C2=CC=C(C3=CNN=C3)C=C2)=CN=C1C(=O)[O-]	REAL300012108144	0	32	-2.0	-139.96	287.88	7.54	-132.42
COC1=CC=C(CO)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108146	0	33	-2.0	-141.13	297.60	4.50	-136.63
O=C([O-])C1=CC(C2=CC=CC3=C2OC2=C3C=CC=C2)=CN=C1C(=O)[O-]	REAL300012108148	0	34	-2.0	-143.72	314.84	10.66	-133.06
O=C([O-])C1=CC(C2=CC=C(OC3=CC=CC=C3)C=C2)=CN=C1C(=O)[O-]	REAL300012108150	0	36	-2.0	-135.05	319.51	10.42	-124.63
O=C([O-])C1=CC(C2=CC=C(F)C(OC(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012108152	0	29	-2.0	-130.34	286.27	7.56	-122.78
COC(=O)C1=CC(F)=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108154	0	31	-2.0	-134.69	295.25	8.40	-126.29
CC(C)(C)OC(=O)NCC1=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C1	REAL300012108156	0	40	-2.0	-132.26	343.94	7.82	-124.44
CC(C)(C)OC(=O)NCC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012108157	0	45	-2.0	-138.06	378.72	8.01	-130.05
O=C([O-])C1=CC(C2=CC=C3C=COC3=C2Cl)=CN=C1C(=O)[O-]	REAL300012108160	0	28	-2.0	-137.35	280.07	8.54	-128.81
O=C([O-])C1=CC(C=CC2=CC=C(F)C(F)=C2)=CN=C1C(=O)[O-]	REAL300012108162	0	29	-2.0	-138.77	281.65	9.24	-129.53
O=C([O-])C1=CC(C2=CC=C3NC(=O)COCC3=C2)=CN=C1C(=O)[O-]	REAL300012108164	0	34	-2.0	-139.68	300.88	5.62	-134.06
O=C([O-])C1=CC(C2=CC=C(C(F)(F)F)N=C2Cl)=CN=C1C(=O)[O-]	REAL300012108166	0	27	-2.0	-134.52	288.40	7.53	-126.99
CC1=CC2=NC=CN=C2C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108170	0	32	-2.0	-138.94	288.39	6.58	-132.36
CC1=CC=C(C(=O)[O-])C=C1C1=NC=C(C([O-])(C(F)(F)F)C(F)(F)F)S1	REAL300012109058	0	32	-2.0	-89.75	316.46	7.09	-82.66
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C([O-])=CS(=O)(=O)C2=C1	REAL300012109071	0	32	-2.0	-100.93	296.65	4.68	-96.25
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=C1)C([O-])=CS2(=O)=O	REAL300012109076	0	32	-2.0	-115.64	296.28	4.65	-110.99
CC1=CC=C(C(=O)[O-])C=C1C1=CN=CC(C([O-])(O)C(F)(F)F)=C1	REAL300012109090	1	33	-2.0	-113.88	301.99	4.69	-109.19
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C([O-])(C(F)(F)F)C(F)(F)F)C=C1	REAL300012109196	1	36	-2.0	-94.83	326.37	8.96	-85.87
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C(=O)C(F)(F)F)C([O-])=C1	REAL300012109201	0	32	-2.0	-96.53	296.99	9.52	-87.01
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012109212	0	30	-3.0	-194.01	282.63	8.83	-185.18
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2[N-]C=C([N+](=O)[O-])C(=O)C2=C1	REAL300012109226	1	34	-2.0	-103.52	306.94	10.11	-93.41
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(=O)C([N+](=O)[O-])=C[N-]C2=C1	REAL300012109227	1	34	-2.0	-92.96	306.85	10.09	-82.87
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C([O-])C(C(=O)C(F)(F)F)=C1	REAL300012109238	0	32	-2.0	-99.48	297.08	9.53	-89.95
CC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300012109241	0	30	-2.0	-140.66	283.69	9.02	-131.64
CC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C(Cl)C=C1C1CC1	REAL300012109243	0	35	-2.0	-137.37	316.60	10.74	-126.63
CC1=CC(OCC2CC2)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012109245	0	39	-2.0	-134.37	335.58	9.95	-124.42
O=C([O-])C1=CC(C2=CC=CC(C(F)C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012109248	0	31	-2.0	-134.00	294.94	9.33	-124.67
CC(C)(C)OC(=O)N1CCN2N=CC(C(=CC(=O)[O-])C(=O)[O-])=C2C1	REAL300012109250	0	41	-2.0	-138.71	347.02	7.73	-130.98
CC(C)(C)OC(=O)N1CCN2N=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=C2C1	REAL300012109251	0	46	-2.0	-139.47	382.04	7.83	-131.64
O=C([O-])C1=CC(C2=CC=NC(C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012109253	0	27	-2.0	-130.29	269.78	7.04	-123.25
CN1CCOCC2=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC=C21	REAL300012109255	0	38	-2.0	-137.23	312.69	6.46	-130.77
CC(C)(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C(=O)[O-]	REAL300013716115	0	43	-2.0	-105.40	336.72	7.50	-97.90
CC(C)(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C(=O)[O-]	REAL300013716116	0	41	-2.0	-118.87	329.00	8.82	-110.05
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CCO1	REAL300013716117	0	48	-2.0	-100.94	384.50	6.70	-94.24
CC(C)(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(=O)[O-]	REAL300013716167	0	38	-2.0	-93.19	309.48	4.82	-88.37
CC(C)(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013716182	0	44	-2.0	-102.60	357.36	8.63	-93.97
CC(C)(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C(=O)[O-]	REAL300013716197	0	41	-2.0	-98.32	340.62	6.83	-91.49
CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1[N-]C(=O)C(F)(F)F	REAL300013716229	1	44	-2.0	-101.96	361.28	3.51	-98.45
CC(C)(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C(=O)[O-]	REAL300013716245	0	44	-2.0	-130.84	347.97	5.92	-124.92
CC(C)(CNC(=O)N1CCC(C)([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013716247	1	41	-2.0	-96.85	345.67	2.33	-94.52
C[C@@H]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013716248	1	44	-2.0	-104.74	359.77	3.91	-100.83
CC(C)(CNC(=O)NCC1=CC=CC(Cl)=C1[O-])C(=O)[O-]	REAL300013716334	1	35	-2.0	-96.57	313.58	3.64	-92.93
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716385	0	44	-2.0	-102.55	341.76	5.48	-97.07
CC(C)(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C(=O)[O-]	REAL300013716439	0	46	-2.0	-95.45	343.01	6.38	-89.07
CC(C)(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C(=O)[O-]	REAL300013716505	0	43	-2.0	-99.67	341.30	6.06	-93.61
CC(C)(CNC(=O)N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1)C(=O)[O-]	REAL300013716581	0	39	-2.0	-93.36	329.61	3.85	-89.51
O=C([O-])CCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013855021	0	43	-2.0	-101.11	356.27	6.90	-94.21
O=C([O-])CCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013855248	0	38	-2.0	-109.60	316.38	7.92	-101.68
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCCC(=O)[O-])CCO1	REAL300013855249	0	45	-2.0	-95.94	371.14	6.05	-89.89
O=C([O-])CCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013855303	0	41	-2.0	-96.86	345.70	8.01	-88.85
O=C([O-])CCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013855316	0	38	-2.0	-95.40	326.68	6.17	-89.23
CC1CCN(C(=O)NCCCC(=O)[O-])CC1[N-]C(=O)C(F)(F)F	REAL300013855339	1	41	-2.0	-93.63	347.35	2.87	-90.76
O=C([O-])CCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013855355	0	41	-2.0	-119.84	334.62	5.25	-114.59
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013855357	1	38	-2.0	-90.56	331.73	1.68	-88.88
C[C@@H]1CCN(C(=O)NCCCC(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013855358	1	41	-2.0	-95.60	345.84	3.26	-92.34
COCC1(C(=O)[O-])CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855466	0	41	-2.0	-100.12	327.82	4.81	-95.31
O=C([O-])CCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013855507	0	43	-2.0	-93.64	329.65	5.70	-87.94
N#CC1=CC2=C(CCN(C(=O)NCCCC(=O)[O-])C2)[N-]C1=O	REAL300013855626	0	36	-2.0	-90.96	315.66	3.21	-87.75
CC(CNC(=O)N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1)C(=O)[O-]	REAL300013893096	0	36	-2.0	-92.78	311.84	3.16	-89.62