CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=NO1	REAL250005037893	0	34	-1.0	-50.63	284.21	3.74	-46.89
O=C(C1=CC=CC(F)=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037894	0	35	-1.0	-49.72	293.26	5.10	-44.62
CC1=CC=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005037895	0	38	-1.0	-51.60	308.25	5.70	-45.90
CCOCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037896	0	35	-1.0	-53.50	285.62	3.42	-50.08
O=C(C1=CC=CC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037897	0	34	-1.0	-51.74	281.14	4.07	-47.67
O=C(C1CC2C=CC1C2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037898	0	40	-1.0	-49.89	306.76	5.66	-44.23
CC(C)=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037899	0	35	-1.0	-50.23	279.84	4.34	-45.89
O=C(C1=COCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037900	0	35	-1.0	-53.10	289.29	2.17	-50.93
O=C(C1=CNC(=O)C=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037901	0	35	-1.0	-56.50	295.39	2.09	-54.41
O=C(C1=CC=CC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037902	0	35	-1.0	-52.15	285.10	4.98	-47.17
CC(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037903	0	37	-1.0	-50.02	289.26	4.45	-45.57
O=C(C1CCCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037904	0	41	-1.0	-50.16	311.71	5.47	-44.69
CC(=O)NCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037905	0	38	-1.0	-60.03	311.81	1.37	-58.66
CC(C)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037906	0	40	-1.0	-50.21	311.57	5.12	-45.09
O=C(C1CCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037907	0	36	-1.0	-54.30	283.92	3.46	-50.84
CSCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037908	0	32	-1.0	-52.60	274.06	3.53	-49.07
CSCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037909	0	35	-1.0	-49.71	295.73	4.30	-45.41
CC(C)(C)SCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037910	0	41	-1.0	-52.07	330.44	5.55	-46.52
O=C(C1=CC=[N+]([O-])C=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037911	0	35	-1.0	-60.93	293.97	3.65	-57.28
CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005037912	0	35	-1.0	-50.54	289.72	4.20	-46.34
N#CC1=CC=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005037913	0	36	-1.0	-52.03	307.75	5.42	-46.61
O=C(CC1CCCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037914	0	44	-1.0	-50.11	330.88	6.34	-43.77
CC(=O)NC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037915	0	38	-1.0	-52.28	307.48	1.32	-50.96
CC(NC(N)=O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037916	0	37	-1.0	-53.15	300.71	-1.47	-54.62
O=C(C1=NNC(=O)C=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037917	0	34	-1.0	-51.00	286.35	1.05	-49.95
CC(=O)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037918	0	36	-1.0	-51.11	295.70	3.74	-47.37
O=C(C1=CC=CS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037919	0	32	-1.0	-50.75	275.66	3.99	-46.76
CC1=CN=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=N1	REAL250005037920	0	36	-1.0	-51.36	297.62	2.82	-48.54
O=C(CC1=CSC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037921	0	35	-1.0	-51.52	300.99	4.98	-46.54
CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=C1	REAL250005037922	0	38	-1.0	-51.93	306.50	5.66	-46.27
O=C(C1=CC=CO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037923	0	32	-1.0	-51.08	267.85	3.39	-47.69
CC(=O)NCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037924	0	35	-1.0	-52.21	289.72	0.71	-51.50
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)SC=C1	REAL250005037925	0	35	-1.0	-50.62	295.90	4.72	-45.90
CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)S1	REAL250005037926	0	35	-1.0	-50.72	297.49	4.80	-45.92
O=C(C=CC1=CC=CO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037927	0	36	-1.0	-51.88	302.45	4.72	-47.16
O=C(C1=CC=CC=C1F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037928	0	35	-1.0	-56.19	294.15	5.15	-51.04
O=C(C1CCC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037929	0	36	-1.0	-58.44	292.17	0.86	-57.58
CC1CC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037930	0	35	-1.0	-49.90	276.92	4.51	-45.39
CC=CC=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037931	0	36	-1.0	-50.92	298.70	5.08	-45.84
O=C(C1=CC=C[N+]([O-])=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037932	0	35	-1.0	-68.48	294.01	3.67	-64.81
N#CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=C1	REAL250005037933	0	36	-1.0	-52.71	307.68	5.43	-47.28
O=C(C1CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037934	0	35	-1.0	-50.34	276.91	4.31	-46.03
O=C(C1CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037935	0	38	-1.0	-50.52	293.49	4.88	-45.64
CC1=CC=CC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037936	0	38	-1.0	-51.34	306.76	5.68	-45.66
O=C(CCC1CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037937	0	44	-1.0	-50.17	337.27	6.46	-43.71
O=C(C1=CC=NC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037938	0	34	-1.0	-51.49	281.70	3.27	-48.22
O=C(C1=CC=C(F)C=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037939	0	35	-1.0	-50.41	293.25	5.10	-45.31
O=C(C1=CC=CN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037940	0	34	-1.0	-51.48	280.70	3.16	-48.32
O=C(CC1=CC=CS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037941	0	35	-1.0	-52.09	301.24	5.15	-46.94
O=C(C1CCOCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037942	0	39	-1.0	-51.62	302.68	3.08	-48.54
O=C(CC1C=CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037943	0	39	-1.0	-50.48	306.85	5.61	-44.87
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=CO1	REAL250005037944	0	35	-1.0	-51.12	288.46	3.94	-47.18
O=C(C1=CSC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037945	0	32	-1.0	-51.08	276.60	3.98	-47.10
O=C(CN1CCCC1=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037946	0	39	-1.0	-56.41	316.06	3.69	-52.72
CC(=O)CCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037947	0	39	-1.0	-59.05	317.24	4.53	-54.52
O=C(CN1C=NN=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037948	0	33	-1.0	-65.91	279.82	2.56	-63.35
CC1=NOC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005037949	0	34	-1.0	-49.36	283.93	3.13	-46.23
CC1=NOC(C)=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037950	0	37	-1.0	-51.08	310.32	4.15	-46.93
CN1C=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=N1	REAL250005037951	0	35	-1.0	-53.19	288.79	2.75	-50.44
NC(=O)NCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037952	0	37	-1.0	-60.56	304.73	-1.42	-61.98
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)SN=N1	REAL250005037953	0	33	-1.0	-50.05	286.09	2.24	-47.81
CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1C	REAL250005037954	0	39	-1.0	-51.66	308.13	4.95	-46.71
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)OC=C1	REAL250005037955	0	35	-1.0	-50.49	285.68	3.98	-46.51
O=C(C1=COC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037956	0	32	-1.0	-51.55	267.78	3.08	-48.47
O=C(C1CC=CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037957	0	39	-1.0	-49.86	304.28	5.40	-44.46
O=C(CCC1=CC=CO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037958	0	38	-1.0	-51.03	313.19	4.98	-46.05
O=C(C1=CC=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037959	0	33	-1.0	-53.53	270.42	3.38	-50.15
O=C(C1=CC(Cl)=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037960	0	33	-1.0	-52.90	287.50	3.88	-49.02
N#CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCC1	REAL250005037961	0	39	-1.0	-53.20	306.33	4.55	-48.65
O=C(C1=CN=CC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037962	0	33	-1.0	-52.00	275.50	2.26	-49.74
O=C(CN1C=CC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037963	0	35	-1.0	-59.36	291.19	3.43	-55.93
O=C(CC1CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037964	0	41	-1.0	-50.26	314.43	5.70	-44.56
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C(C)O1	REAL250005037965	0	38	-1.0	-51.19	310.24	4.77	-46.42
CCOC(=O)NCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037966	0	39	-1.0	-51.74	322.40	1.05	-50.69
CCC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005037967	0	38	-1.0	-50.18	311.23	5.00	-45.18
O=C(C1=CC=C(Cl)O1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037968	0	32	-1.0	-48.16	284.86	4.00	-44.16
O=C(C1CC2CCC1C2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037969	0	42	-1.0	-50.09	312.35	5.75	-44.34
CC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037970	0	37	-1.0	-49.73	279.14	3.65	-46.08
O=C(CC1=CC=NC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037971	0	37	-1.0	-53.73	305.92	4.29	-49.44
CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=N1	REAL250005037972	0	37	-1.0	-51.38	302.20	3.77	-47.61
CN1C=CC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037973	0	36	-1.0	-51.68	288.28	4.46	-47.22
CCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037974	0	37	-1.0	-50.44	294.04	4.62	-45.82
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=NN1C	REAL250005037975	0	38	-1.0	-52.49	307.78	3.28	-49.21
CCCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037976	0	40	-1.0	-50.39	315.54	5.40	-44.99
CC(C)(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037977	0	40	-1.0	-49.16	304.23	4.96	-44.20
O=C(CCN1C=NC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037978	0	37	-1.0	-52.22	308.19	5.47	-46.75
O=C(CNC(=O)C1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037979	0	39	-1.0	-51.83	320.52	2.29	-49.54
CCCCSCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037980	0	41	-1.0	-52.16	338.53	6.00	-46.16
CCCCCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037981	0	46	-1.0	-50.36	358.53	6.96	-43.40
CCCCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037982	0	43	-1.0	-50.32	337.00	6.17	-44.15
O=C(CCN1C=CC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037983	0	38	-1.0	-50.84	313.39	4.03	-46.81
O=C(C1=CC=CNC1=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037984	0	35	-1.0	-68.02	294.91	2.10	-65.92
CC(C)SCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037985	0	38	-1.0	-52.22	313.84	5.07	-47.15
CC1=CC=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005037986	0	37	-1.0	-51.37	302.75	4.65	-46.72
O=C(C1=CC=CC=C1O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037987	0	36	-1.0	-54.01	298.48	2.52	-51.49
CCC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037988	0	37	-1.0	-50.42	287.51	4.15	-46.27
N#CCSCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037989	0	33	-1.0	-59.20	294.88	4.16	-55.04
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)N1C=CC=N1	REAL250005037990	0	38	-1.0	-56.00	308.36	3.64	-52.36
CCC1=NNC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037991	0	38	-1.0	-54.40	308.97	2.82	-51.58
O=C(CN1C=NC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037992	0	34	-1.0	-61.29	285.99	4.86	-56.43
O=C(CC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037993	0	35	-1.0	-50.64	282.00	4.61	-46.03
CC(C)OCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037994	0	41	-1.0	-49.99	326.80	3.84	-46.15
CCC1=NNC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005037995	0	38	-1.0	-50.88	308.46	3.21	-47.67
CCC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=NN1	REAL250005037995	1	38	-1.0	-51.81	309.54	3.36	-48.45
O=C(C1COCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037996	0	37	-1.0	-53.16	291.34	2.21	-50.95
COC(=O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037997	0	34	-1.0	-57.95	282.99	4.03	-53.92
O=C(CCC1CCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037998	0	42	-1.0	-50.28	328.94	4.17	-46.11
O=C(C1=NNC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037999	0	32	-1.0	-53.50	266.36	2.10	-51.40
O=C(C1=CC=NN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005037999	1	32	-1.0	-51.17	265.09	1.90	-49.27
CC(=O)N(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038000	0	38	-1.0	-57.75	307.11	3.00	-54.75
CCC(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038001	0	40	-1.0	-49.77	302.16	4.63	-45.14
CN1CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1=O	REAL250005038002	0	39	-1.0	-53.41	309.87	2.73	-50.68
CC1=NNC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038003	0	35	-1.0	-55.07	287.68	2.10	-52.97
O=C(C1=CSN=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038004	0	30	-1.0	-50.48	265.49	1.97	-48.51
CCCCC(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038005	0	46	-1.0	-50.21	351.44	6.42	-43.79
COC(=O)N(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038006	0	39	-1.0	-59.58	321.29	3.01	-56.57
CCC(=O)NC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038007	0	41	-1.0	-52.05	328.08	2.12	-49.93
O=C(C1=CC=CC=[N+]1[O-])N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038008	0	35	-1.0	-79.76	292.04	4.73	-75.03
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)SC=N1	REAL250005038009	0	34	-1.0	-51.28	291.56	2.81	-48.47
CCOCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038010	0	41	-1.0	-52.81	328.03	3.86	-48.95
O=C(COCC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038011	0	39	-1.0	-53.70	317.25	4.99	-48.71
O=C(CC1CCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038012	0	39	-1.0	-54.55	307.16	4.09	-50.46
CC1=CNC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038013	0	36	-1.0	-56.01	292.14	3.62	-52.39
CSC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038014	0	35	-1.0	-52.70	289.67	3.95	-48.75
CCOC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038015	0	38	-1.0	-53.51	301.72	3.88	-49.63
O=C(C1=CNN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038016	0	32	-1.0	-52.07	266.63	1.47	-50.60
CCOC(=O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038017	0	37	-1.0	-57.67	304.85	4.96	-52.71
CC(C)(C#N)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038018	0	35	-1.0	-55.66	280.12	3.28	-52.38
O=C(C1=CC(=O)N[N-]1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038019	0	32	-2.0	-90.21	273.79	0.03	-90.18
O=C(C1CCC(=O)NC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038020	0	39	-1.0	-53.83	308.07	1.43	-52.40
COCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038021	0	38	-1.0	-52.92	306.21	2.91	-50.01
CC(F)(F)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038022	0	37	-1.0	-49.73	305.12	4.73	-45.00
O=C(COC1CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038023	0	42	-1.0	-53.34	330.51	5.46	-47.88
CC1=NC=NC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038024	0	36	-1.0	-50.34	294.42	3.58	-46.76
C=CCSCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038025	0	36	-1.0	-52.59	308.34	4.98	-47.61
CCOC1CC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038026	0	39	-1.0	-50.02	316.36	3.70	-46.32
CC1=NC=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038027	0	36	-1.0	-49.94	297.98	3.81	-46.13
CCSCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038028	0	38	-1.0	-49.67	317.24	5.20	-44.47
COC(=O)NCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038029	0	36	-1.0	-51.88	300.54	0.12	-51.76
O=C(C1=NSN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038030	0	30	-1.0	-48.36	264.19	1.58	-46.78
O=C(C1=CN=NS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038031	0	30	-1.0	-50.68	265.08	1.60	-49.08
CCCSCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038032	0	38	-1.0	-52.23	317.03	5.22	-47.01
CC(=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038033	0	39	-1.0	-49.79	307.69	5.79	-44.00
O=C(C1=NOC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038034	0	31	-1.0	-51.57	261.98	2.86	-48.71
O=C(C1=CN=CS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038035	0	31	-1.0	-51.87	270.48	2.14	-49.73
CC1=NNC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038036	0	35	-1.0	-51.09	289.68	2.41	-48.68
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=NN1	REAL250005038036	1	35	-1.0	-52.63	288.29	2.67	-49.96
CC1=CN(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1	REAL250005038037	0	38	-1.0	-59.17	313.07	4.10	-55.07
O=C(C=C1CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038038	0	39	-1.0	-50.65	305.40	5.65	-45.00
COC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038039	0	35	-1.0	-53.52	279.87	2.92	-50.60
CC1=NN(C)C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038040	0	38	-1.0	-51.72	304.90	3.39	-48.33
CCC=C(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038041	0	38	-1.0	-52.23	294.57	4.63	-47.60
CC(C)COC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038042	0	44	-1.0	-53.23	343.32	5.36	-47.87
CCCC(C)=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038043	0	41	-1.0	-49.06	322.61	5.88	-43.18
CC1=NC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)S1	REAL250005038044	0	34	-1.0	-51.72	292.42	2.86	-48.86
CCOC(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038045	0	41	-1.0	-52.94	319.00	4.54	-48.40
O=C(C1CCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038046	0	36	-1.0	-51.13	281.70	2.23	-48.90
O=C(C=C1CCCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038047	0	42	-1.0	-50.21	321.19	6.24	-43.97
CS(=O)(=O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038048	0	34	-1.0	-66.53	292.57	0.11	-66.42
CC(OCC1CC1)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038049	0	42	-1.0	-53.23	332.61	5.42	-47.81
COC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038050	0	35	-1.0	-53.52	279.87	2.92	-50.60
CC(C)OCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038051	0	38	-1.0	-53.37	305.89	4.16	-49.21
CC(CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038052	0	41	-1.0	-49.61	318.89	5.88	-43.73
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=CO1	REAL250005038053	0	34	-1.0	-51.33	280.57	1.72	-49.61
C=CCCOCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038054	0	39	-1.0	-53.34	319.88	4.77	-48.57
CC[NH+](CC)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038055	0	43	0.0	-70.63	318.21	4.81	-65.82
O=C(C1=CC=NC(F)=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038056	0	34	-1.0	-53.42	288.14	3.21	-50.21
CN1N=CC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038057	0	35	-1.0	-51.72	283.75	2.79	-48.93
COCCOCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038058	0	42	-1.0	-52.09	340.15	2.36	-49.73
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)N1C=CN=C1	REAL250005038059	0	38	-1.0	-55.09	307.19	4.86	-50.23
CC(C)[N@H+](C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038060	0	43	0.0	-69.83	321.00	4.93	-64.90
CC(C)[N@@H+](C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038060	1	43	0.0	-69.38	321.03	4.95	-64.43
O=C(CC(F)(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038061	0	31	-1.0	-53.33	268.45	3.50	-49.83
O=C(C1CNC(=O)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038062	0	36	-1.0	-54.89	288.04	0.45	-54.44
CCCOCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038063	0	38	-1.0	-53.32	307.07	4.21	-49.11
CCCCOC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038064	0	44	-1.0	-53.28	344.72	5.45	-47.83
CC(C)CCOCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038065	0	44	-1.0	-53.18	346.13	5.50	-47.68
COCCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038066	0	41	-1.0	-51.28	327.71	3.69	-47.59
NC(=O)CCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038067	0	38	-1.0	-61.17	310.18	0.67	-60.50
C=CCCOC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038068	0	42	-1.0	-53.40	336.03	5.23	-48.17
CC(C)(C)[NH2+]CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038069	0	43	0.0	-71.05	325.53	3.46	-67.59
CCC(OC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038070	0	38	-1.0	-52.95	297.14	3.59	-49.36
O=C(CCN1C=CN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038071	0	38	-1.0	-52.54	312.92	5.63	-46.91
CN1C=C(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=N1	REAL250005038072	0	38	-1.0	-55.23	313.87	3.83	-51.40
CCC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038073	0	40	-1.0	-50.35	295.34	4.23	-46.12
O=C(C1CCCCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038074	0	44	-1.0	-49.20	318.26	5.72	-43.48
COC(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038075	0	38	-1.0	-51.16	303.81	3.64	-47.52
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCOCC1	REAL250005038076	0	42	-1.0	-50.49	307.22	3.03	-47.46
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCC1	REAL250005038077	0	41	-1.0	-49.98	304.50	5.01	-44.97
CC(=O)NC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038078	0	41	-1.0	-52.73	314.76	2.49	-50.24
CCCC(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038079	0	43	-1.0	-49.82	328.99	5.87	-43.95
C=CCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038080	0	35	-1.0	-50.43	285.31	4.39	-46.04
CCOCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038081	0	38	-1.0	-50.05	306.57	3.11	-46.94
CC(C)CC(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038082	0	46	-1.0	-49.75	346.39	6.38	-43.37
CNC(=O)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038083	0	39	-1.0	-49.66	318.89	1.67	-47.99
COCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038084	0	35	-1.0	-50.07	284.67	2.13	-47.94
O=C(C1CCCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038085	0	39	-1.0	-49.61	302.70	3.09	-46.52
NC(=O)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038086	0	36	-1.0	-50.49	296.85	0.19	-50.30
O=C(C1=CSC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038087	0	31	-1.0	-51.85	270.53	2.86	-48.99
CCNC(=O)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038088	0	41	-1.0	-52.25	332.10	2.22	-50.03
NC(=O)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038089	0	39	-1.0	-49.40	308.14	0.55	-48.85
O=C(C1=COCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038090	0	34	-1.0	-51.07	271.90	2.61	-48.46
CCC(=O)NCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038091	0	38	-1.0	-51.88	310.01	1.52	-50.36
O=C(C1=CNC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038092	0	33	-1.0	-53.50	270.55	2.95	-50.55
C[NH+](C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038093	0	37	0.0	-72.95	286.63	3.75	-69.20
CN(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038093	1	36	-1.0	-50.93	284.54	1.34	-49.59
CN1C=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038094	0	35	-1.0	-54.06	289.16	3.44	-50.62
COCCOCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038095	0	39	-1.0	-55.84	319.20	2.65	-53.19
CCCC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038096	0	40	-1.0	-49.97	309.49	4.95	-45.02
NC(=O)CSCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038097	0	36	-1.0	-62.00	311.58	0.52	-61.48
CC1=NON=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038098	0	33	-1.0	-46.99	276.64	2.87	-44.12
C[NH+](C)CCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038099	0	46	0.0	-75.37	351.99	5.93	-69.44
O=C(C1=CNC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038100	0	32	-1.0	-54.33	266.36	3.47	-50.86
O=C(C1=CN=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038100	1	32	-1.0	-54.44	265.07	3.14	-51.30
CC(C)C(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038101	0	46	0.0	-67.95	329.85	5.22	-62.73
O=C(C1=COC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038102	0	31	-1.0	-51.88	262.45	0.89	-50.99
C#CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1	REAL250005038103	0	36	-1.0	-51.14	308.00	5.30	-45.84
O=C(CC1CCC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038104	0	39	-1.0	-56.26	312.48	1.80	-54.46
O=C([C@H]1CCC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038105	0	36	-1.0	-58.43	292.16	0.86	-57.57
CCC[N@H+](C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038106	0	43	0.0	-72.29	325.81	5.15	-67.14
CCC[N@@H+](C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038106	1	43	0.0	-72.20	325.84	5.17	-67.03
COC(=O)NCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038107	0	39	-1.0	-57.55	322.63	0.77	-56.78
O=C(C1=CC=C(F)N=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038108	0	34	-1.0	-52.82	288.11	3.21	-49.61
O=C(C1=CC(=O)N[N-]1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038109	0	32	-2.0	-90.21	273.79	0.03	-90.18
C#CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=N1	REAL250005038110	0	36	-1.0	-52.94	307.96	4.23	-48.71
O=C(CC1=CCCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038111	0	42	-1.0	-50.72	326.94	6.29	-44.43
CC1=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CN1	REAL250005038112	0	35	-1.0	-53.57	288.06	3.24	-50.33
CC1=NC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1	REAL250005038112	1	35	-1.0	-54.01	289.44	2.88	-51.13
CCC(CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)C	REAL250005038113	0	46	-1.0	-49.20	334.71	6.00	-43.20
COCC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038114	0	38	-1.0	-49.44	302.57	2.65	-46.79
CC(C)(C)CCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038115	0	46	-1.0	-50.22	349.27	6.31	-43.91
C=CCOCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038116	0	36	-1.0	-53.89	298.48	3.98	-49.91
CC1=NN(C)C=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038117	0	38	-1.0	-55.36	312.05	3.43	-51.93
CCN1C=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=N1	REAL250005038118	0	38	-1.0	-52.99	310.32	3.62	-49.37
CCCCOCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038119	0	41	-1.0	-53.31	328.57	4.99	-48.32
CC(C)(C)C(=O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038120	0	39	-1.0	-46.82	305.96	4.03	-42.79
C[N@@H+]1CCCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038121	0	44	0.0	-68.84	327.00	5.32	-63.52
C[N@H+]1CCCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038121	1	44	0.0	-73.37	319.29	4.98	-68.39
O=C(CC1CCOCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038122	0	42	-1.0	-50.43	321.92	3.95	-46.48
CC1=NC=CC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038123	0	37	-1.0	-52.48	299.42	3.86	-48.62
CSCC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038124	0	38	-1.0	-49.05	312.49	4.70	-44.35
CC1=CC=NC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038125	0	37	-1.0	-50.56	299.46	3.80	-46.76
CC1CCCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038126	0	44	-1.0	-49.29	322.82	5.80	-43.49
O=C(CCC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038127	0	38	-1.0	-50.49	304.11	5.39	-45.10
CC(C)C(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038128	0	40	-1.0	-50.34	305.93	4.76	-45.58
O=C(C1CCSCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038129	0	39	-1.0	-50.24	311.36	5.10	-45.14
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)(C)C	REAL250005038130	0	43	-1.0	-48.73	313.60	5.05	-43.68
N#CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1	REAL250005038131	0	35	-1.0	-51.68	301.60	4.52	-47.16
COC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038132	0	38	-1.0	-50.83	291.25	2.63	-48.20
O=C(CC1=CC=CN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038133	0	37	-1.0	-54.67	305.87	4.27	-50.40
C[N@@H+]1CCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038134	0	41	0.0	-67.95	304.98	4.30	-63.65
C[N@H+]1CCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038134	1	41	0.0	-68.66	309.32	4.59	-64.07
CC1=CC(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=NO1	REAL250005038135	0	37	-1.0	-58.62	307.19	4.23	-54.39
O=C(C1CC2CCC1O2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038136	0	40	-1.0	-53.38	306.58	3.38	-50.00
NC1=NC=CN=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038137	0	35	-1.0	-51.43	294.21	0.27	-51.16
O=C(NC1CC1)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038138	0	36	-1.0	-48.04	297.37	1.47	-46.57
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=NN1C	REAL250005038139	0	37	-1.0	-52.84	300.09	2.43	-50.41
CC(C)(C)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038140	0	43	-1.0	-50.10	327.72	5.53	-44.57
N#CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038141	0	36	-1.0	-48.04	292.68	4.08	-43.96
O=C(CC1(O)CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038142	0	42	-1.0	-49.29	320.33	3.41	-45.88
O=C(C1CC=CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038143	0	36	-1.0	-50.07	283.46	4.69	-45.38
O=C(C1CC2=CC=CC=C21)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038144	0	39	-1.0	-50.38	315.33	6.53	-43.85
CCC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=CO1	REAL250005038145	0	37	-1.0	-51.19	302.05	2.49	-48.70
CSCCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038146	0	41	-1.0	-50.98	338.77	5.86	-45.12
O=C(CC1CCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038147	0	39	-1.0	-52.33	305.51	3.14	-49.19
O=C(CC1=NNC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038148	0	35	-1.0	-58.00	290.10	2.50	-55.50
O=C(CC1=CC=NN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038148	1	35	-1.0	-54.99	290.94	2.39	-52.60
O=C(C1=CCCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038149	0	37	-1.0	-49.64	294.71	3.91	-45.73
CC1CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038150	0	44	-1.0	-49.43	331.72	6.01	-43.42
C[NH+]1CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038151	0	44	0.0	-75.17	330.59	5.30	-69.87
O=C(C1=CC=NC=C1F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038152	0	34	-1.0	-54.56	287.99	3.35	-51.21
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1=CC=CO1	REAL250005038153	0	38	-1.0	-54.10	310.99	5.29	-48.81
O=C(CC1CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038154	0	38	-1.0	-50.51	298.82	5.14	-45.37
CCC(C)(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038155	0	43	-1.0	-49.08	318.46	5.45	-43.63
O=C(C1CCCS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038156	0	36	-1.0	-52.01	294.33	4.66	-47.35
CN1CCOC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038157	0	41	-1.0	-51.80	316.63	1.57	-50.23
C[N@@H+]1CCOC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038157	1	42	0.0	-77.36	312.67	3.82	-73.54
C[N@H+]1CCOC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038157	1	42	0.0	-77.41	312.71	3.84	-73.57
CC1=NC(C)=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038158	0	37	-1.0	-50.70	302.79	1.48	-49.22
CN(C)C(=O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038159	0	38	-1.0	-61.79	304.90	4.03	-57.76
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(F)(F)F	REAL250005038160	0	34	-1.0	-52.32	285.54	3.88	-48.44
O=C(C1=CC=CC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038161	0	35	-1.0	-56.48	296.02	1.96	-54.52
O=C(CCC1CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038162	0	41	-1.0	-50.20	320.76	5.92	-44.28
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCCC1	REAL250005038163	0	44	-1.0	-49.95	332.09	6.03	-43.92
CCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038164	0	38	-1.0	-50.23	301.43	4.82	-45.41
CC1=CSC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038165	0	35	-1.0	-51.05	295.81	4.73	-46.32
CC1=CC(C)=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038166	0	38	-1.0	-50.50	307.86	4.89	-45.61
O=C(CCN1C=CC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038167	0	39	-1.0	-50.23	318.23	5.92	-44.31
C=CCOCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038168	0	42	-1.0	-53.25	340.93	4.44	-48.81
CC1=CN=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038169	0	37	-1.0	-52.49	303.19	3.92	-48.57
O=C(CCC(F)(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038170	0	34	-1.0	-49.77	290.67	4.22	-45.55
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)OC=N1	REAL250005038171	0	34	-1.0	-51.36	280.78	0.74	-50.62
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038172	0	44	0.0	-69.68	326.38	5.30	-64.38
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038172	1	44	0.0	-68.43	315.94	4.78	-63.65
O=C(C1C2CCCC21)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038173	0	39	-1.0	-50.36	306.28	5.72	-44.64
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038174	0	38	-1.0	-49.87	300.53	5.03	-44.84
N#CC1=CNC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038175	0	34	-1.0	-56.92	291.60	3.81	-53.11
O=C(C#CC1=CC=CC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038176	0	37	-1.0	-51.57	318.84	6.73	-44.84
O=C(CCC1=COC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038177	0	38	-1.0	-51.77	313.18	4.82	-46.95
CC(C)CC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038178	0	46	-1.0	-49.06	329.36	5.75	-43.31
CC1=CC=CN=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038179	0	37	-1.0	-54.27	305.00	4.01	-50.26
CC=C(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038180	0	35	-1.0	-51.71	275.76	3.97	-47.74
CC(C)=C(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038181	0	38	-1.0	-51.57	289.55	4.59	-46.98
CCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038182	0	41	-1.0	-50.00	308.34	5.01	-44.99
CC1(C)C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1(C)C	REAL250005038183	0	44	-1.0	-49.03	327.30	5.69	-43.34
O=C(CCC1=NN=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038184	0	37	-1.0	-57.38	306.44	4.28	-53.10
O=C(CCC1=NNC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038184	1	37	-1.0	-55.64	307.05	3.88	-51.76
CSC=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038185	0	33	-1.0	-50.40	285.56	3.95	-46.45
O=C(CCC1CCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038186	0	42	-1.0	-51.36	327.67	3.87	-47.49
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C(F)(F)C(F)F	REAL250005038187	0	31	-1.0	-46.92	272.90	3.37	-43.55
O=C(CN1C=CN=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038188	0	34	-1.0	-63.97	285.08	2.14	-61.83
O=CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1	REAL250005038189	0	35	-1.0	-55.16	294.85	2.95	-52.21
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=CN1	REAL250005038190	0	36	-1.0	-53.11	292.39	3.57	-49.54
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038191	0	38	-1.0	-49.86	290.31	4.45	-45.41
C=CCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038192	0	38	-1.0	-50.85	306.85	5.18	-45.67
O=C(COC1CCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038193	0	40	-1.0	-56.37	321.05	2.89	-53.48
O=C(C1CC12CCCC2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038194	0	42	-1.0	-50.51	327.13	6.23	-44.28
O=C(C1CC(F)(F)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038195	0	35	-1.0	-50.23	290.07	4.46	-45.77
O=C(C1=CC(=O)NC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038196	0	35	-1.0	-55.94	295.82	2.12	-53.82
CCCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038197	0	41	-1.0	-50.39	321.53	5.58	-44.81
CCC(CC)(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038198	0	46	-1.0	-50.50	327.22	5.21	-45.29
O=C(C1=CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038199	0	36	-1.0	-50.70	282.85	4.63	-46.07
CC1=NNC(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038200	0	38	-1.0	-55.43	312.87	2.96	-52.47
CN1C=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038201	0	36	-1.0	-53.15	294.28	4.74	-48.41
O=C(C=C1CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038202	0	36	-1.0	-51.14	289.06	5.04	-46.10
COCC(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038203	0	41	-1.0	-52.06	322.20	3.56	-48.50
O=C(CC1CCCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038204	0	42	-1.0	-52.07	325.18	4.96	-47.11
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCO1	REAL250005038205	0	39	-1.0	-48.42	299.45	3.37	-45.05
CCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)COC1	REAL250005038206	0	39	-1.0	-51.74	300.48	2.33	-49.41
C[NH+](C)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038207	0	44	0.0	-69.31	311.45	4.60	-64.71
O=C(CC1=CC=CN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038208	0	37	-1.0	-54.67	305.87	4.27	-50.40
O=C(C1CCNC(=O)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038209	0	39	-1.0	-53.03	308.12	1.46	-51.57
COC(=O)C(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038210	0	40	-1.0	-50.12	322.93	4.45	-45.67
O=C(C(F)=C1CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038211	0	39	-1.0	-47.93	309.17	5.65	-42.28
CCC1(C)CC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038212	0	41	-1.0	-49.79	314.46	5.61	-44.18
CCCC(C)(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038213	0	41	-1.0	-48.92	314.35	1.95	-46.97
O=C(C1CC12CCC2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038214	0	39	-1.0	-50.21	308.12	5.75	-44.46
O=C(C1=CN=CC(F)=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038215	0	34	-1.0	-50.79	286.73	3.20	-47.59
CCCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038216	0	44	-1.0	-50.04	329.25	5.77	-44.27
CCC(=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)CC	REAL250005038217	0	41	-1.0	-49.29	318.68	5.85	-43.44
CC(C)[C@@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038218	0	46	0.0	-68.88	328.82	5.39	-63.49
CC1CC(C#N)(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038219	0	39	-1.0	-47.46	314.14	4.72	-42.74
CC1CCC(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038220	0	44	-1.0	-50.10	334.89	6.34	-43.76
CCC(CC)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038221	0	43	-1.0	-49.93	321.63	5.62	-44.31
CC=C(C=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)CC	REAL250005038222	0	42	-1.0	-50.15	333.87	6.24	-43.91
CC1CCC(=CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038223	0	42	-1.0	-50.41	326.20	6.27	-44.14
CC(C)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038224	0	41	-1.0	-50.21	308.09	5.13	-45.08
O=C(C1CCSC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038225	0	36	-1.0	-52.64	289.59	4.43	-48.21
CC1CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038226	0	38	-1.0	-50.16	298.23	4.95	-45.21
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)=C1CCCC1	REAL250005038227	0	42	-1.0	-51.30	317.83	5.98	-45.32
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(O)CCCCC1	REAL250005038228	0	42	-1.0	-47.85	315.58	2.52	-45.33
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(O)CCCC1	REAL250005038229	0	39	-1.0	-49.62	295.94	1.83	-47.79
COCC(C)(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038230	0	39	-1.0	-49.27	308.35	-0.12	-49.39
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038231	0	35	-1.0	-50.14	279.21	4.12	-46.02
CN1C=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038232	0	35	-1.0	-54.49	288.83	5.12	-49.37
COC(=O)CC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038233	0	40	-1.0	-49.92	320.98	4.19	-45.73
CC1=C(C)OC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038234	0	38	-1.0	-50.70	309.34	4.81	-45.89
C=CCC(CC=C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038235	0	42	-1.0	-49.66	331.82	5.85	-43.81
CC1=CC(C)=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1	REAL250005038236	0	39	-1.0	-50.11	317.57	4.03	-46.08
CCC1CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038237	0	42	-1.0	-53.15	325.50	5.06	-48.09
CCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCC1	REAL250005038238	0	44	-1.0	-49.92	320.69	5.47	-44.45
O=C(C(C1CC1)C1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038239	0	42	-1.0	-49.45	331.71	6.49	-42.96
CC(C)(C)C(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038240	0	41	-1.0	-50.38	305.77	2.77	-47.61
CC1(C)C[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038241	0	38	-1.0	-49.72	297.44	5.02	-44.70
CNC(=O)NCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038242	0	37	-1.0	-53.25	304.57	-0.64	-53.89
O=C(C1CCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038243	0	33	-1.0	-54.56	266.83	2.58	-51.98
CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1	REAL250005038244	0	37	-1.0	-51.50	302.20	4.77	-46.73
CC1=CC=C(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038245	0	38	-1.0	-55.15	313.68	5.00	-50.15
CCCC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)C	REAL250005038246	0	46	-1.0	-49.93	337.51	6.18	-43.75
CCC(C)C(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038247	0	41	-1.0	-49.17	311.76	2.83	-46.34
NC(=O)NC(CO)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038248	0	38	-1.0	-55.17	311.61	-4.72	-59.89
O=C(C1CC(=O)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038249	0	34	-1.0	-52.29	280.05	3.40	-48.89
CN1CCOCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038250	0	41	-1.0	-50.26	314.94	0.61	-49.65
CC(C)(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038251	0	34	-1.0	-47.40	270.94	3.46	-43.94
O=C(C1=CN=CO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038252	0	31	-1.0	-51.60	262.58	0.11	-51.49
CCCC(CCC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038253	0	46	-1.0	-49.71	345.18	6.17	-43.54
CC1=NN=CC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038254	0	36	-1.0	-53.67	294.53	2.80	-50.87
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCO1	REAL250005038255	0	40	-1.0	-51.17	314.87	4.03	-47.14
COCC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038256	0	41	-1.0	-49.13	311.51	2.82	-46.31
O=C(C[NH+]1CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038257	0	41	0.0	-71.27	310.77	4.86	-66.41
O=C(CN1CCOCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038258	0	41	-1.0	-51.60	317.51	1.00	-50.60
CSC(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038259	0	38	-1.0	-51.18	311.55	4.87	-46.31
NC(=O)NC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038260	0	38	-1.0	-57.72	310.99	-0.04	-57.76
COCCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038261	0	42	-1.0	-50.35	333.84	3.87	-46.48
CCC(SC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038262	0	38	-1.0	-51.52	306.58	4.56	-46.96
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)N1C=CC=C1	REAL250005038263	0	39	-1.0	-53.23	311.28	5.50	-47.73
CC[N@H+](CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038264	0	44	0.0	-68.43	335.21	5.78	-62.65
CC[N@@H+](CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038264	1	44	0.0	-70.11	328.05	5.30	-64.81
CCN(CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038264	1	43	-1.0	-50.60	332.72	3.79	-46.81
O=C(C1=NNC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038265	0	31	-1.0	-56.27	260.84	3.03	-53.24
C=CC(=O)NCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038266	0	39	-1.0	-59.87	323.95	1.91	-57.96
CC1(OCC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038267	0	42	-1.0	-53.21	328.19	5.21	-48.00
O=C(C1CCCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038268	0	39	-1.0	-52.63	300.40	4.21	-48.42
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038269	0	39	-1.0	-50.19	299.97	5.31	-44.88
CC1=NNC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1=O	REAL250005038270	0	36	-1.0	-54.24	299.91	0.75	-53.49
CCC(C)OCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038271	0	41	-1.0	-53.28	326.65	4.96	-48.32
CC(C)C(O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038272	0	41	-1.0	-52.96	317.26	2.94	-50.02
CCC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038273	0	43	0.0	-71.59	316.04	4.77	-66.82
O=C(CC1COC(=O)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038274	0	38	-1.0	-56.14	307.96	4.27	-51.87
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=N1	REAL250005038275	0	36	-1.0	-49.75	297.83	4.49	-45.26
CCCC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038276	0	46	0.0	-72.36	337.61	5.55	-66.81
O=C(CC1=CC=CO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038277	0	35	-1.0	-54.57	291.76	4.17	-50.40
CCCC(O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038278	0	41	-1.0	-53.55	324.67	2.96	-50.59
CC1(C)CC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038279	0	38	-1.0	-49.66	297.58	5.01	-44.65
N#CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1	REAL250005038280	0	34	-1.0	-51.21	291.78	3.63	-47.58
CCOC=C(C#N)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038281	0	37	-1.0	-51.25	315.49	3.38	-47.87
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C12CCC(CC1)C2	REAL250005038282	0	42	-1.0	-49.77	311.88	5.55	-44.22
CCC1=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CO1	REAL250005038283	0	37	-1.0	-50.46	305.92	2.39	-48.07
COC(=O)CCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038284	0	40	-1.0	-57.98	327.96	4.64	-53.34
O=C(C1=CC=C(F)C=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038285	0	34	-1.0	-49.51	287.16	4.20	-45.31
CCC(C)=C(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038286	0	41	-1.0	-50.76	323.95	5.42	-45.34
O=C(CCCCO)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038287	0	38	-1.0	-51.78	305.46	1.28	-50.50
CC1=NSC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038288	0	34	-1.0	-51.16	291.48	3.41	-47.75
O=C(C1CCCCS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038289	0	39	-1.0	-52.32	313.01	5.32	-47.00
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)COC1	REAL250005038290	0	36	-1.0	-50.11	282.60	1.80	-48.31
O=C(CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)NC1CC1	REAL250005038291	0	39	-1.0	-61.26	318.72	3.79	-57.47
C#CCNC(=O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038292	0	37	-1.0	-60.76	314.39	3.44	-57.32
CC1CCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038293	0	41	-1.0	-49.95	311.65	5.35	-44.60
CC1OCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038294	0	39	-1.0	-52.37	297.13	3.12	-49.25
COCCCOCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038295	0	42	-1.0	-55.62	340.74	3.28	-52.34
O=C(C1CCC=CO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038296	0	37	-1.0	-51.91	292.02	4.48	-47.43
CC(C)(C)OCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038297	0	41	-1.0	-53.12	319.92	4.56	-48.56
N#CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CN1	REAL250005038298	0	34	-1.0	-52.86	292.71	3.26	-49.60
COCCCC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038299	0	44	-1.0	-50.49	343.16	4.02	-46.47
CSC(C)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038300	0	41	-1.0	-49.87	333.51	5.62	-44.25
C#CCCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038301	0	39	-1.0	-51.40	321.32	5.92	-45.48
COCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038302	0	39	-1.0	-53.00	314.42	3.23	-49.77
CC(Cl)(Cl)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038303	0	31	-1.0	-46.89	276.81	3.79	-43.10
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(O)CCSC1	REAL250005038304	0	37	-1.0	-49.05	299.28	1.49	-47.56
O=C(C1=CC=CC(F)=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038305	0	34	-1.0	-50.85	287.60	4.03	-46.82
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)N1C=NC=N1	REAL250005038306	0	37	-1.0	-57.90	303.26	4.94	-52.96
O=C([C@@H]1CCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038307	0	36	-1.0	-53.66	283.43	3.42	-50.24
O=C([C@H]1CCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038308	0	36	-1.0	-54.36	283.98	3.47	-50.89
COC(=O)N[C@@H](C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038309	0	39	-1.0	-50.28	319.07	0.79	-49.49
C#CCOCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038310	0	37	-1.0	-51.43	312.31	3.64	-47.79
CC(O)(CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038311	0	42	-1.0	-49.31	321.35	4.00	-45.31
CCC(CC)C(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038312	0	46	-1.0	-49.84	334.79	5.80	-44.04
CC1CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCO1	REAL250005038313	0	42	-1.0	-50.20	314.11	3.58	-46.62
CC1CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038314	0	41	-1.0	-50.03	314.22	5.48	-44.55
O=C(C1=CN=CN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038315	0	33	-1.0	-50.95	276.52	3.01	-47.94
O=C(C1=NC=CC=C1O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038316	0	35	-1.0	-53.53	292.17	2.11	-51.42
O=C(C1=NC=CC=C1[O-])N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038316	1	34	-2.0	-106.15	288.53	3.09	-103.06
O=C(C1CC12CCOC2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038317	0	40	-1.0	-51.57	314.04	3.73	-47.84
CN1N=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1N	REAL250005038318	0	37	-1.0	-52.87	301.75	1.71	-51.16
O=C(C1=CCOCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038319	0	37	-1.0	-51.26	293.37	2.84	-48.42
CCC(C)(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038320	0	43	-1.0	-50.37	311.26	4.70	-45.67
O=C(C1=CSC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038321	0	32	-1.0	-52.33	286.43	0.89	-51.44
COC(=O)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038322	0	38	-1.0	-50.98	311.87	4.25	-46.73
CC#CCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038323	0	39	-1.0	-53.92	321.65	6.10	-47.82
C#CCC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038324	0	39	-1.0	-49.41	303.38	4.76	-44.65
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCOC1	REAL250005038325	0	39	-1.0	-50.42	295.92	2.43	-47.99
COCCC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038326	0	44	-1.0	-52.08	328.15	3.25	-48.83
O=C(C1C=CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038327	0	39	-1.0	-49.94	303.65	5.40	-44.54
COC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038328	0	39	-1.0	-47.87	305.28	3.34	-44.53
COC1=NOC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038329	0	35	-1.0	-48.90	294.94	0.54	-48.36
CCNC(=O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038330	0	38	-1.0	-61.39	308.61	2.94	-58.45
CNC(=O)CCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038331	0	41	-1.0	-61.44	332.11	2.16	-59.28
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCOC1	REAL250005038332	0	42	-1.0	-50.70	307.23	3.14	-47.56
C#CCCCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038333	0	42	-1.0	-52.66	342.78	6.69	-45.97
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(O)CCC1	REAL250005038334	0	36	-1.0	-49.74	282.29	1.30	-48.44
CC1(C)CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038335	0	44	-1.0	-49.70	333.31	5.98	-43.72
COC(C)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038336	0	41	-1.0	-50.36	325.75	3.68	-46.68
CCC(C)C(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038337	0	43	-1.0	-50.26	323.75	5.38	-44.88
CC(C)OCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038338	0	44	-1.0	-52.88	348.34	4.62	-48.26
CN1C(=O)CC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038339	0	39	-1.0	-57.29	313.45	3.33	-53.96
C=CCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038340	0	42	-1.0	-50.05	322.80	5.66	-44.39
COC1(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038341	0	42	-1.0	-52.43	323.92	4.31	-48.12
CC1OCCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038342	0	42	-1.0	-49.63	322.15	3.74	-45.89
C#CCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038343	0	36	-1.0	-53.10	299.82	5.14	-47.96
CC(=O)OC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038344	0	38	-1.0	-55.21	316.98	4.52	-50.69
CC1(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038345	0	38	-1.0	-50.22	302.05	5.10	-45.12
C=C(C[NH+](C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038346	0	41	0.0	-76.91	308.02	4.52	-72.39
CCC(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038347	0	40	-1.0	-49.96	307.49	5.11	-44.85
CC(F)(F)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038348	0	34	-1.0	-56.12	282.94	4.04	-52.08
CCC(C(=O)OC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038349	0	40	-1.0	-56.59	319.81	5.26	-51.33
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCCC1	REAL250005038350	0	44	-1.0	-50.21	315.69	5.39	-44.82
O=C(CCN1C=CN=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038351	0	37	-1.0	-53.15	307.24	2.80	-50.35
O=C(CC1OCCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038352	0	40	-1.0	-52.95	316.39	3.44	-49.51
O=C(CC1OCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038353	0	37	-1.0	-52.58	298.24	2.52	-50.06
C=CC(C)(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038354	0	41	-1.0	-50.74	304.35	4.64	-46.10
C[C@@H]1C[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038355	0	35	-1.0	-50.34	282.12	4.46	-45.88
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CO1	REAL250005038356	0	35	-1.0	-53.33	289.72	3.96	-49.37
O=C(C=CC1=CC=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038357	0	37	-1.0	-52.44	304.95	4.44	-48.00
O=C(CCC1=CNC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038358	0	38	-1.0	-53.59	311.75	4.40	-49.19
O=C(CCC1=CN=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038358	1	38	-1.0	-53.14	311.82	4.38	-48.76
O=C(C=CC1=CNC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038359	0	36	-1.0	-55.64	301.63	4.26	-51.38
CC(=O)N1CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038360	0	39	-1.0	-58.12	317.26	2.83	-55.29
O=C(NCC1CC1)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038361	0	39	-1.0	-47.64	318.39	2.05	-45.59
O=C(C1=CCCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038362	0	39	-1.0	-50.46	306.91	5.38	-45.08
CC(C)C1(C)CC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038363	0	44	-1.0	-49.44	329.15	6.11	-43.33
O=C(CC1=COC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038364	0	35	-1.0	-52.96	291.80	4.02	-48.94
O=C(CC1=CN=CS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038365	0	34	-1.0	-53.36	295.79	3.32	-50.04
CC(C)C(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038366	0	43	-1.0	-49.78	307.42	4.71	-45.07
CC1=NNN=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038367	0	34	-1.0	-49.21	279.25	1.24	-47.97
CC1CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CO1	REAL250005038368	0	39	-1.0	-50.50	302.25	3.00	-47.50
CC(C)C(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038369	0	37	-1.0	-52.67	294.60	4.26	-48.41
CC1OC(=O)NC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038370	0	37	-1.0	-57.70	298.83	0.14	-57.56
CC(C)(CO)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038371	0	38	-1.0	-49.63	289.26	0.41	-49.22
CCN1N=CC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038372	0	38	-1.0	-51.12	303.39	3.62	-47.50
O=C(C1=CCCCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038373	0	42	-1.0	-50.92	311.20	5.61	-45.31
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N(C)C=C1	REAL250005038374	0	39	-1.0	-49.86	318.97	5.23	-44.63
CC(C)C(C)(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038375	0	41	-1.0	-48.77	307.28	1.99	-46.78
COC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)C	REAL250005038376	0	41	-1.0	-52.68	315.14	4.15	-48.53
CN1CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1=O	REAL250005038377	0	39	-1.0	-51.52	306.62	2.79	-48.73
CC1(C)CCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038378	0	44	-1.0	-49.32	325.18	5.94	-43.38
CC(C)(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038379	0	35	-1.0	-49.04	276.24	0.55	-48.49
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(O)CCOCC1	REAL250005038380	0	40	-1.0	-50.47	302.54	0.11	-50.36
CN1C=NC=C1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038381	0	38	-1.0	-55.94	311.57	5.14	-50.80
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CNC(=O)C1	REAL250005038382	0	39	-1.0	-53.95	302.89	0.68	-53.27
CC(C)(O)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038383	0	41	-1.0	-50.46	320.87	1.83	-48.63
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(F)CCCC1	REAL250005038384	0	38	-1.0	-47.42	294.75	4.76	-42.66
C[C@H]1C[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038385	0	35	-1.0	-50.32	282.17	4.48	-45.84
O=C(C1=CC=NC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038386	0	33	-1.0	-50.27	275.75	3.96	-46.31
O=C(CC1C=CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038387	0	42	-1.0	-51.21	323.24	6.23	-44.98
CC1CCCC1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038388	0	44	-1.0	-50.04	334.60	6.31	-43.73
CN1C(=O)CCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038389	0	39	-1.0	-58.39	314.20	3.32	-55.07
CC1=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CO1	REAL250005038390	0	34	-1.0	-50.77	284.15	1.60	-49.17
C[C@H](NC(N)=O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038391	0	37	-1.0	-51.86	301.15	-1.43	-53.29
CC(=O)OC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038392	0	40	-1.0	-52.45	308.82	4.58	-47.87
O=C(C1CCC(F)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038393	0	38	-1.0	-48.88	300.36	4.97	-43.91
O=C([C@H]1CCCC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038394	0	39	-1.0	-57.64	307.76	1.73	-55.91
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(F)CCC1	REAL250005038395	0	35	-1.0	-47.28	281.53	4.29	-42.99
CCOCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038396	0	42	-1.0	-52.95	336.28	4.21	-48.74
CC1CC(C)C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038397	0	42	-1.0	-53.49	322.35	4.69	-48.80
CCCC(C)(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038398	0	46	-1.0	-49.86	331.76	5.44	-44.42
O=C(C1=CC=C(F)C=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038399	0	34	-1.0	-49.51	287.16	4.20	-45.31
CSCC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038400	0	41	-1.0	-48.81	319.80	4.73	-44.08
O=C([C@H]1C[C@@H]1C(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038401	0	35	-1.0	-51.34	293.41	4.70	-46.64
CCCCC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038402	0	43	-1.0	-49.85	330.98	5.73	-44.12
CC(CC(N)=O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038403	0	38	-1.0	-51.35	303.20	0.32	-51.03
CN1N=NC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038404	0	34	-1.0	-51.86	278.02	1.35	-50.51
O=C(C1CCCOCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038405	0	42	-1.0	-51.07	316.55	3.66	-47.41
COC(C)(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038406	0	41	-1.0	-51.66	313.46	4.30	-47.36
C=C(CO)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038407	0	33	-1.0	-54.57	275.68	0.03	-54.54
CC1=C(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)NC=N1	REAL250005038408	0	38	-1.0	-56.09	311.42	4.11	-51.98
O=C(C1=NC=CS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038409	0	31	-1.0	-50.12	271.54	3.01	-47.11
CC(C)(C#N)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038410	0	38	-1.0	-50.03	303.52	4.58	-45.45
CCC(C)(OC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038411	0	41	-1.0	-48.23	308.20	3.44	-44.79
CC1(C)CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038412	0	42	-1.0	-53.40	324.82	4.83	-48.57
CCN1C=CN=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038413	0	38	-1.0	-51.53	305.77	5.21	-46.32
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)NC=C1	REAL250005038414	0	36	-1.0	-52.78	290.73	3.95	-48.83
CCC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=CO1	REAL250005038415	0	38	-1.0	-51.18	309.90	4.72	-46.46
C#CC1=CN=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038416	0	36	-1.0	-51.60	309.06	4.47	-47.13
O=C(C1=CC=CN=C1F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038417	0	34	-1.0	-59.00	289.06	3.28	-55.72
O=C(C1=CN=CC(O)=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038418	0	35	-1.0	-52.38	292.79	0.42	-51.96
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CC=N1	REAL250005038419	0	37	-1.0	-51.57	303.32	3.87	-47.70
O=C(CCC1=NC=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038420	0	38	-1.0	-52.29	311.83	3.54	-48.75
O=C(C1CCC(O)CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038421	0	42	-1.0	-53.72	321.32	2.28	-51.44
O=C(C1=CN=CS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038422	0	31	-1.0	-51.87	270.48	2.14	-49.73
O=C(CC1CCCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038423	0	42	-1.0	-52.64	321.92	3.96	-48.68
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=CN1C	REAL250005038424	0	39	-1.0	-53.45	312.03	5.20	-48.25
C=CC(C)(O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038425	0	39	-1.0	-52.23	307.86	2.87	-49.36
CC(=O)CSCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038426	0	37	-1.0	-60.15	318.48	4.36	-55.79
CC1COCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038427	0	42	-1.0	-50.14	311.53	3.49	-46.65
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=NS1	REAL250005038428	0	34	-1.0	-50.22	291.95	3.91	-46.31
CC(C)(C(N)=O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038429	0	38	-1.0	-58.68	291.86	-0.13	-58.81
CSC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038430	0	39	-1.0	-47.46	313.43	4.91	-42.55
CC1=CC=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038431	0	36	-1.0	-56.04	299.66	3.57	-52.47
CC(C)(O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038432	0	38	-1.0	-49.44	295.40	2.49	-46.95
O=C(CCC(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038433	0	34	-1.0	-51.83	285.16	4.10	-47.73
CC=C(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038434	0	38	-1.0	-50.02	304.93	4.90	-45.12
CN1C=NC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038435	0	35	-1.0	-53.08	284.10	4.10	-48.98
COC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038436	0	39	-1.0	-52.50	310.48	4.45	-48.05
CC(C)(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(F)F	REAL250005038437	0	37	-1.0	-51.06	289.79	3.84	-47.22
COC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCC1	REAL250005038438	0	42	-1.0	-47.96	314.94	3.90	-44.06
CCC(C)C(OC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038439	0	44	-1.0	-52.70	333.49	4.80	-47.90
O=C(C[C@H]1CCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038441	0	39	-1.0	-51.98	305.53	3.21	-48.77
O=C(C1=C(Cl)OC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038442	0	32	-1.0	-53.05	285.52	3.75	-49.30
CSC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038443	0	36	-1.0	-49.44	304.71	4.74	-44.70
O=C(C1=CC([O-])=CS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038444	0	32	-2.0	-101.10	283.23	1.84	-99.26
CC(C)[C@H](O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038445	0	38	-1.0	-48.96	287.45	2.02	-46.94
CCC(C)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038446	0	43	-1.0	-50.27	329.83	5.78	-44.49
CC1=NOC(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038447	0	37	-1.0	-57.28	307.94	4.23	-53.05
O=C(C(O)C1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038448	0	36	-1.0	-49.55	284.44	2.42	-47.13
CCC1OCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038449	0	42	-1.0	-50.21	324.78	3.80	-46.41
COC(=O)COCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038450	0	38	-1.0	-62.03	320.12	3.91	-58.12
CC(C)[C@@H](O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038451	0	38	-1.0	-50.70	294.11	2.20	-48.50
CC(O)(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038452	0	39	-1.0	-49.05	301.38	1.84	-47.21
CC1(C)CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038453	0	41	-1.0	-49.92	308.33	5.11	-44.81
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CS1	REAL250005038454	0	35	-1.0	-51.27	297.60	4.75	-46.52
CC1=COC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1C	REAL250005038455	0	38	-1.0	-50.71	306.16	4.71	-46.00
CCC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=CN1	REAL250005038456	0	39	-1.0	-53.14	312.74	4.32	-48.82
CCC(C)(C#N)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038457	0	38	-1.0	-53.16	298.99	3.74	-49.42
O=C(COC(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038458	0	32	-1.0	-52.77	275.32	2.80	-49.97
COCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038459	0	42	-1.0	-52.78	323.43	3.54	-49.24
CN1N=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038460	0	34	-1.0	-50.79	283.93	1.76	-49.03
O=C(C1COC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038461	0	34	-1.0	-59.23	282.32	-0.43	-59.66
CC1=COC(C)=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038462	0	38	-1.0	-51.71	315.81	4.73	-46.98
CON=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038463	0	32	-1.0	-52.78	272.41	1.60	-51.18
CC1=NC=CN1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038464	0	38	-1.0	-57.34	312.60	4.88	-52.46
CC1=[NH+]C=CN1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038464	1	39	0.0	-69.30	316.01	5.35	-63.95
C=CC(C)(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038465	0	36	-1.0	-49.35	286.38	1.28	-48.07
C[NH+](C)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038466	0	41	0.0	-69.80	305.59	4.19	-65.61
CN(C)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038466	1	40	-1.0	-49.02	303.81	3.71	-45.31
O=C(C1=NC=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038467	0	32	-1.0	-51.91	266.39	2.60	-49.31
CN1[N-]C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL250005038468	0	35	-2.0	-92.80	296.61	1.74	-91.06
CC(C)C#CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038469	0	36	-1.0	-50.86	301.07	5.11	-45.75
O=CN1CCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038470	0	39	-1.0	-56.74	311.32	3.11	-53.63
O=C(CCC1=NNN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038471	0	37	-1.0	-52.16	306.23	1.92	-50.24
O=C(CCC1=CNN=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038471	1	37	-1.0	-56.32	306.33	2.00	-54.32
CC1=CNN=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038472	0	35	-1.0	-53.03	284.78	2.73	-50.30
O=C(CCC1(O)CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038473	0	42	-1.0	-52.42	328.53	2.72	-49.70
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC=CCC1	REAL250005038474	0	42	-1.0	-49.98	309.80	5.32	-44.66
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=CS1	REAL250005038475	0	35	-1.0	-50.88	296.34	4.75	-46.13
O=C(CC1(O)CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038476	0	39	-1.0	-51.04	305.87	3.16	-47.88
O=C(CC1CCC2CC21)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038477	0	42	-1.0	-49.78	322.48	6.39	-43.39
CC[C@@H]1C[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038478	0	38	-1.0	-50.36	303.56	5.24	-45.12
O=C(C1CC1(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038479	0	32	-1.0	-50.14	273.78	3.96	-46.18
CC(C)(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL250005038480	0	44	-1.0	-50.60	320.15	5.47	-45.13
CCCCCC(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038481	0	44	-1.0	-50.74	342.61	3.82	-46.92
O=C(CSC(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038482	0	32	-1.0	-51.56	287.21	3.94	-47.62
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)=C1CCC1	REAL250005038483	0	39	-1.0	-50.95	314.31	5.61	-45.34
CCC(=O)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038484	0	40	-1.0	-48.28	324.00	4.90	-43.38
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038485	0	44	-1.0	-50.17	342.45	6.52	-43.65
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038486	0	40	-1.0	-50.21	316.42	3.52	-46.69
CC(C)CCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038487	0	43	-1.0	-50.32	333.10	5.91	-44.41
CC1=CN=CC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038488	0	37	-1.0	-51.28	302.05	3.92	-47.36
COCC#CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038489	0	34	-1.0	-51.75	292.45	2.76	-48.99
O=C(C1=NSC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038490	0	31	-1.0	-50.45	270.00	3.10	-47.35
CCC1CCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038491	0	44	-1.0	-49.95	331.68	6.03	-43.92
C#CCOC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038492	0	37	-1.0	-56.08	307.50	4.42	-51.66
CCC(C)=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038493	0	38	-1.0	-49.27	301.11	5.10	-44.17
O=C(C=CC1CCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038494	0	40	-1.0	-51.16	319.60	3.71	-47.45
CC1CCCC1(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038495	0	44	-1.0	-48.91	317.17	5.55	-43.36
O=C(C=CC1=CNN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038496	0	36	-1.0	-54.76	300.61	3.08	-51.68
O=C(C1=CC(=O)NN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038497	0	34	-1.0	-51.36	290.62	0.73	-50.63
CC1=NOC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038498	0	36	-1.0	-59.40	293.02	3.57	-55.83
O=C([C@@H]1CNC(=O)O1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038499	0	34	-1.0	-62.92	280.46	-0.07	-62.99
CC1=NN=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)S1	REAL250005038500	0	33	-1.0	-51.16	288.46	2.36	-48.80
C=CC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038501	0	38	-1.0	-49.89	290.00	4.13	-45.76
O=C(CSC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038502	0	36	-1.0	-52.12	306.11	5.25	-46.87
O=C([C@H]1C[C@@H]1C1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038503	0	39	-1.0	-50.33	314.66	6.05	-44.28
CC1=NN(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=C1	REAL250005038504	0	38	-1.0	-59.95	313.15	4.00	-55.95
CNC(=O)NCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038505	0	40	-1.0	-60.89	326.66	0.02	-60.87
CCN1N=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038506	0	37	-1.0	-50.51	305.74	2.59	-47.92
CCC1CC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038507	0	38	-1.0	-49.86	298.11	5.24	-44.62
O=C(CC1=NC=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038508	0	35	-1.0	-60.17	289.61	2.78	-57.39
C=CC(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038509	0	33	-1.0	-50.81	269.45	1.23	-49.58
O=C(CCC1=NOC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038510	0	37	-1.0	-53.51	307.40	4.15	-49.36
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)(F)F	REAL250005038511	0	37	-1.0	-55.63	297.71	4.31	-51.32
CC(O)(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL250005038512	0	42	-1.0	-48.45	317.05	2.80	-45.65
CCN1N=NC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038513	0	37	-1.0	-51.53	300.07	2.19	-49.34
N#CCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038514	0	35	-1.0	-58.69	293.39	4.36	-54.33
CC1=NC(C)=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1	REAL250005038515	0	38	-1.0	-51.69	313.47	3.07	-48.62
CC(F)(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038516	0	31	-1.0	-47.45	260.49	3.11	-44.34
O=CC1=CNC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038517	0	35	-1.0	-62.67	294.71	3.12	-59.55
C=CCC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038518	0	41	-1.0	-49.43	309.23	4.79	-44.64
N#CC1(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038519	0	36	-1.0	-61.68	299.05	4.71	-56.97
CC1=CSC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038520	0	35	-1.0	-50.64	297.29	4.66	-45.98
CCCC(OC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038521	0	41	-1.0	-52.88	318.66	4.35	-48.53
O=C(C1=C(F)C=CS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038522	0	32	-1.0	-55.08	282.97	4.15	-50.93
COCC(C)C(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038523	0	44	-1.0	-52.38	338.46	3.84	-48.54
CCC[C@@H]1C[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038524	0	41	-1.0	-50.23	325.03	6.00	-44.23
COC(C)(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038525	0	42	-1.0	-48.43	310.38	4.31	-44.12
CC1=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C(C)O1	REAL250005038526	0	37	-1.0	-50.62	302.59	2.44	-48.18
CCC(O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038527	0	38	-1.0	-53.52	303.21	2.21	-51.31
O=C(CCCC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038528	0	41	-1.0	-50.60	325.64	6.19	-44.41
CC(C)(CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038529	0	44	-1.0	-48.81	327.88	6.20	-42.61
N#CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038530	0	33	-1.0	-48.36	279.40	3.72	-44.64
CN1N=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038531	0	33	-1.0	-53.04	278.73	1.28	-51.76
O=C(C1=NOC(CO)=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038532	0	35	-1.0	-52.99	295.33	0.36	-52.63
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(F)CCCCC1	REAL250005038533	0	41	-1.0	-49.37	311.56	5.29	-44.08
N#CC1=CC=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038534	0	35	-1.0	-53.03	302.16	4.37	-48.66
O=C(C1CCCSC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038535	0	39	-1.0	-49.25	312.12	5.19	-44.06
CC1CC1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038536	0	38	-1.0	-50.53	303.35	5.29	-45.24
CN1C=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005038537	0	34	-1.0	-52.98	284.55	1.93	-51.05
NC(=O)C1CCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038538	0	39	-1.0	-54.65	307.26	0.84	-53.81
CC(C)(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038539	0	41	-1.0	-50.65	304.01	4.97	-45.68
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(F)CCOC1	REAL250005038540	0	36	-1.0	-48.12	286.97	2.26	-45.86
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(CCF)CC1	REAL250005038541	0	38	-1.0	-50.20	306.83	4.95	-45.25
O=C(CN1C=CN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038542	0	35	-1.0	-57.06	291.86	5.06	-52.00
N#CC1=CC=NC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038543	0	35	-1.0	-57.37	301.31	3.47	-53.90
CC1=NN=C(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038544	0	36	-1.0	-58.60	303.14	-1.01	-59.61
CC1(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCC1	REAL250005038545	0	44	-1.0	-49.31	328.81	6.15	-43.16
N#CCCCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038546	0	41	-1.0	-57.42	336.35	5.90	-51.52
CCOC1CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038547	0	42	-1.0	-52.42	332.64	4.26	-48.16
O=C(C1CC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038548	0	33	-1.0	-57.11	275.54	-0.32	-57.43
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)NC(=O)N1	REAL250005038549	0	36	-1.0	-52.56	296.10	1.03	-51.53
CC1=NN=C(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1	REAL250005038550	0	37	-1.0	-64.64	306.22	3.31	-61.33
O=C(C1CCNC1=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038551	0	36	-1.0	-55.30	291.86	0.54	-54.76
C[N@H+](CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL250005038552	0	44	0.0	-70.36	332.73	5.71	-64.65
C[N@@H+](CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL250005038552	1	44	0.0	-69.89	332.85	5.73	-64.16
O=C(C=CC1=NC=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038553	0	36	-1.0	-53.53	302.21	3.45	-50.08
CC1CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038554	0	42	-1.0	-49.84	327.30	5.99	-43.85
O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038555	0	40	-1.0	-54.26	306.29	3.36	-50.90
CC(C)CCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038556	0	46	-1.0	-50.36	354.60	6.69	-43.67
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCCO1	REAL250005038557	0	42	-1.0	-48.32	312.30	4.15	-44.17
O=C(CC1CC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038558	0	36	-1.0	-57.03	296.31	0.14	-56.89
O=C(C1CCOC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038559	0	37	-1.0	-58.29	298.52	0.61	-57.68
O=C(CCC1=CNN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038560	0	38	-1.0	-52.57	312.29	3.34	-49.23
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL250005038561	0	41	-1.0	-50.04	316.18	5.50	-44.54
CCC(C)(C)OCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038562	0	44	-1.0	-53.14	336.73	5.22	-47.92
O=C(C#CC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038563	0	34	-1.0	-51.03	290.70	5.26	-45.77
CC(C)(C)C#CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038564	0	39	-1.0	-50.66	321.21	5.63	-45.03
CC1=NON=C1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038565	0	36	-1.0	-57.32	302.30	2.53	-54.79
CC1=CN(C)N=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038566	0	38	-1.0	-53.52	307.27	4.06	-49.46
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(O)CCOC1	REAL250005038567	0	37	-1.0	-49.98	291.84	-0.80	-50.78
O=C(C(O)C1CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038568	0	39	-1.0	-49.47	302.62	2.56	-46.91
CCC(CC(C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038569	0	46	-1.0	-49.95	342.89	6.08	-43.87
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N(C)N=C1	REAL250005038570	0	38	-1.0	-50.98	313.84	3.56	-47.42
COCC(C)(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038571	0	44	-1.0	-50.91	335.83	4.17	-46.74
O=C(C1CCC(F)CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038572	0	41	-1.0	-53.98	317.08	5.51	-48.47
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038573	0	34	-1.0	-50.85	289.97	4.16	-46.69
CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005038574	0	36	-1.0	-51.78	297.79	3.26	-48.52
COC(CC(C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038575	0	44	-1.0	-52.08	333.06	4.78	-47.30
O=C(C1CCC2CC2C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038576	0	42	-1.0	-50.17	319.57	6.10	-44.07
O=C(C1CC12CC2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038577	0	36	-1.0	-50.80	293.24	5.27	-45.53
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1(F)F	REAL250005038578	0	35	-1.0	-52.78	290.26	4.27	-48.51
C=CC(=O)N(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038579	0	39	-1.0	-60.60	319.96	3.60	-57.00
O=C(CC1=NN=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038580	0	34	-1.0	-64.74	284.22	3.45	-61.29
O=C(CC1=NC=NN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038580	1	34	-1.0	-58.75	284.80	3.11	-55.64
O=C(C(F)=C1CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038581	0	36	-1.0	-48.09	294.91	5.07	-43.02
CC1CCCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038582	0	44	-1.0	-49.42	321.75	5.88	-43.54
NC1=NN(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=N1	REAL250005038583	0	36	-1.0	-62.89	301.40	4.44	-58.45
O=C(C1CCCC(F)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038584	0	41	-1.0	-48.62	316.73	5.51	-43.11
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1F	REAL250005038585	0	35	-1.0	-54.35	285.39	4.18	-50.17
C=C(C)C(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038586	0	41	-1.0	-50.44	302.82	4.82	-45.62
CN1CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)NC1=O	REAL250005038587	0	38	-1.0	-58.58	307.67	0.70	-57.88
CCC(CC)(CO)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038588	0	44	-1.0	-53.21	320.18	1.44	-51.77
O=C(C1CC2(CCC2)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038589	0	42	-1.0	-50.02	325.71	6.15	-43.87
CCN1C=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038590	0	38	-1.0	-53.45	310.28	4.27	-49.18
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(F)CC1	REAL250005038591	0	32	-1.0	-47.49	267.23	3.78	-43.71
O=C(C=CC1CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038592	0	42	-1.0	-50.45	328.86	6.31	-44.14
COC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038593	0	36	-1.0	-49.29	293.74	2.72	-46.57
O=C(C1CCC(=O)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038594	0	37	-1.0	-51.60	294.27	3.84	-47.76
C[C@@H]1[C@H](C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL250005038595	0	44	0.0	-75.06	322.71	5.00	-70.06
C[C@@H]1[C@H](C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL250005038595	1	44	0.0	-75.77	328.64	4.96	-70.81
COCC1(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038596	0	42	-1.0	-50.51	334.76	4.15	-46.36
CN1C=CC(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038597	0	38	-1.0	-58.93	313.09	3.81	-55.12
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(CF)CCC1	REAL250005038598	0	38	-1.0	-49.85	293.45	4.50	-45.35
CC1=NOC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038599	0	34	-1.0	-53.22	285.07	3.29	-49.93
O=C(C1CCCNC1=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038600	0	39	-1.0	-57.30	307.65	2.61	-54.69
CN1C(=O)NC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038601	0	36	-1.0	-56.01	302.28	1.84	-54.17
CC=C(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038602	0	32	-1.0	-47.74	268.33	3.63	-44.11
CCC=C(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038603	0	35	-1.0	-47.98	287.07	4.37	-43.61
O=C(CC1CSC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038604	0	36	-1.0	-53.43	298.69	4.74	-48.69
COC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038605	0	36	-1.0	-49.44	300.78	3.71	-45.73
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038606	0	35	-2.0	-90.86	297.49	1.45	-89.41
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038606	1	35	-2.0	-90.90	297.54	1.46	-89.44
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)NC=N1	REAL250005038607	0	35	-1.0	-51.59	290.21	3.15	-48.44
CCC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)NC=N1	REAL250005038608	0	38	-1.0	-51.43	311.79	3.89	-47.54
COC(OC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038609	0	36	-1.0	-51.52	286.23	2.15	-49.37
N#CCCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038610	0	38	-1.0	-54.71	314.89	5.14	-49.57
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(CF)CC1	REAL250005038611	0	35	-1.0	-49.53	283.66	4.20	-45.33
O=C(C1=COC(CO)=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038612	0	36	-1.0	-53.99	299.96	0.53	-53.46
O=C(C1CSC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038613	0	33	-1.0	-49.95	276.04	3.91	-46.04
C[C@H]1CC[C@H](C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038614	0	44	-1.0	-49.45	331.75	6.02	-43.43
CCC(CO)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038615	0	38	-1.0	-49.76	295.09	1.24	-48.52
O=C([C@@H]1C[C@H]1C1CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038616	0	42	-1.0	-50.13	330.75	6.55	-43.58
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1COC2	REAL250005038617	0	37	-1.0	-49.47	295.07	2.89	-46.58
CCC1=NOC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038618	0	37	-1.0	-53.27	306.16	4.00	-49.27
CCC(C#N)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038619	0	35	-1.0	-48.81	288.08	3.69	-45.12
CCCC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038620	0	43	-1.0	-49.84	315.97	4.95	-44.89
CC(=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)(C)C	REAL250005038621	0	44	-1.0	-49.55	334.18	6.00	-43.55
CSC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038622	0	38	-1.0	-51.48	299.76	4.03	-47.45
CC(C)(O)C(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038623	0	39	-1.0	-52.36	296.27	-0.40	-52.76
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC(=O)C1	REAL250005038624	0	37	-1.0	-51.20	294.01	3.57	-47.63
CCC(O)C(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038625	0	41	-1.0	-53.41	314.21	2.93	-50.48
O=C(C1CC2CC2C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038626	0	39	-1.0	-49.65	299.76	5.44	-44.21
CC=CC(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038627	0	36	-1.0	-49.71	289.03	2.28	-47.43
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCNC1=O	REAL250005038628	0	39	-1.0	-49.88	299.17	0.75	-49.13
O=C(C1CCCC2CC21)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038629	0	42	-1.0	-49.58	318.19	6.04	-43.54
CC1=C(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)OC=C1	REAL250005038630	0	38	-1.0	-54.65	312.36	4.83	-49.82
CCCCC(C)(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038631	0	43	-1.0	-49.64	331.44	5.60	-44.04
C[NH+](C)CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038632	0	44	0.0	-66.67	334.33	5.28	-61.39
CC1(C)CCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038633	0	41	-1.0	-49.55	312.15	5.22	-44.33
CC[C@@H]1CCO[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038634	0	42	-1.0	-53.20	316.49	4.81	-48.39
O=C(COCC(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038635	0	35	-1.0	-59.24	298.59	3.71	-55.53
COC1=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CO1	REAL250005038636	0	35	-1.0	-50.85	295.38	0.30	-50.55
CCCC=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038637	0	38	-1.0	-50.58	306.12	5.19	-45.39
O=C(C1=NC=CC=C1F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038638	0	34	-1.0	-55.54	285.23	4.21	-51.33
CC1=NC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038639	0	34	-1.0	-50.79	284.58	0.86	-49.93
CC1=COC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038640	0	35	-1.0	-53.88	290.04	3.88	-50.00
COCC(OC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038641	0	39	-1.0	-51.20	309.33	2.32	-48.88
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038642	0	41	0.0	-67.94	308.41	4.51	-63.43
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038642	1	41	0.0	-71.68	305.06	4.27	-67.41
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038643	0	41	0.0	-69.46	305.72	4.27	-65.19
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038643	1	41	0.0	-69.42	308.38	4.57	-64.85
C[C@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038644	0	40	0.0	-68.82	302.75	4.07	-64.75
C[C@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005038644	1	39	-1.0	-50.19	292.66	1.40	-48.79
CCC(C)(C)C(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038645	0	44	-1.0	-48.83	316.84	3.08	-45.75
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C12CC[NH+](CC1)C2	REAL250005038646	0	42	0.0	-74.35	310.81	4.01	-70.34
CCCC(OCC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038647	0	44	-1.0	-52.87	340.50	5.30	-47.57
COC1CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038648	0	39	-1.0	-49.14	310.30	3.27	-45.87
CCOC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038649	0	42	-1.0	-51.15	331.86	5.52	-45.63
CC(CF)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038650	0	34	-1.0	-48.72	275.25	3.65	-45.07
O=C([C@@H]1COC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038651	0	34	-1.0	-59.34	282.02	-0.43	-59.77
O=C(CC1=CSC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038652	0	34	-1.0	-55.79	294.50	3.22	-52.57
CC1=CN=CN1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038653	0	38	-1.0	-57.15	312.95	5.58	-51.57
CC1=C[NH+]=CN1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038653	1	39	0.0	-70.50	316.37	6.09	-64.41
CCOC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038654	0	42	-1.0	-47.97	325.65	4.26	-43.71
CCC(F)(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038655	0	34	-1.0	-47.22	280.40	3.82	-43.40
COC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL250005038656	0	42	-1.0	-51.27	325.49	5.10	-46.17
CCN1C=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038657	0	38	-1.0	-53.98	310.83	6.07	-47.91
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038658	0	37	-1.0	-49.48	296.79	3.20	-46.28
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038659	0	39	-1.0	-49.99	301.68	5.52	-44.47
CC1=NC=CN=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038660	0	36	-1.0	-51.88	300.41	1.94	-49.94
C=C1CC(C)(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038661	0	39	-1.0	-49.43	304.63	4.99	-44.44
O=C(C1CC2(CC2)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038662	0	39	-1.0	-50.86	309.07	5.66	-45.20
O=C(C1=CC(Cl)=NO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038663	0	31	-1.0	-47.73	279.07	2.95	-44.78
O=C([C@H]1COC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038664	0	34	-1.0	-59.48	282.25	-0.42	-59.90
CN1C(=O)NCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038665	0	38	-1.0	-58.80	307.22	0.74	-58.06
C[C@@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038666	0	40	0.0	-70.63	303.33	4.15	-66.48
C[C@@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005038666	1	39	-1.0	-50.78	300.43	1.73	-49.05
CCC(C)(C)C(=O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038667	0	42	-1.0	-46.71	320.19	4.49	-42.22
O=C([C@H]1C[C@@H](O)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038668	0	36	-1.0	-54.22	288.14	0.87	-53.35
CCC=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038669	0	35	-1.0	-50.19	284.59	4.40	-45.79
CC1=CC=NN1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038670	0	38	-1.0	-55.15	312.12	3.86	-51.29
CC(Cl)=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038671	0	32	-1.0	-52.04	275.53	4.16	-47.88
C=C(CC[NH+](C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038672	0	44	0.0	-79.72	328.94	4.86	-74.86
CC1=C(C)NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038673	0	38	-1.0	-51.42	308.97	3.74	-47.68
C#CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=C1	REAL250005038674	0	37	-1.0	-51.89	314.09	6.22	-45.67
N#CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCOC1	REAL250005038675	0	37	-1.0	-49.00	295.75	1.98	-47.02
O=C(CCOC1COC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038676	0	40	-1.0	-50.89	324.37	1.69	-49.20
NC(=O)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038677	0	35	-1.0	-52.54	288.68	-0.11	-52.65
O=C(C1=CC(=O)NC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038678	0	34	-1.0	-59.49	287.44	2.54	-56.95
O=C(CN1CCOC1=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038679	0	37	-1.0	-64.15	306.31	2.84	-61.31
CCCC=CC(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038680	0	42	-1.0	-49.78	331.59	3.82	-45.96
CC1=NC=C(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038681	0	37	-1.0	-56.83	308.42	1.64	-55.19
O=C(CC1=CON=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038682	0	34	-1.0	-55.49	286.02	3.45	-52.04
C[NH+]1CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038683	0	44	0.0	-75.17	330.59	5.30	-69.87
CC1=NC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1C	REAL250005038684	0	38	-1.0	-52.92	303.37	3.92	-49.00
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038685	0	36	-1.0	-61.25	296.37	1.18	-60.07
CC[C@@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038686	0	43	0.0	-68.64	310.96	4.56	-64.08
CC[C@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038687	0	43	0.0	-71.54	316.07	4.78	-66.76
CCOC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)C	REAL250005038688	0	44	-1.0	-52.69	336.99	5.10	-47.59
CC(C)[C@H](NC=O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038689	0	41	-1.0	-50.87	311.87	2.22	-48.65
CN(C)C(=O)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038690	0	41	-1.0	-52.23	327.97	3.34	-48.89
CCC(NC(C)=O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038691	0	41	-1.0	-51.60	321.64	1.93	-49.67
O=C([C@H]1CCC(=O)O1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038692	0	35	-1.0	-59.65	285.76	4.24	-55.41
CN1C(=O)OCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038693	0	37	-1.0	-59.29	297.63	2.11	-57.18
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C12CC1CCCC2	REAL250005038694	0	42	-1.0	-49.50	314.30	5.69	-43.81
CCOC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038695	0	41	-1.0	-53.62	309.07	3.97	-49.65
O=C(C1CC(C2CC2)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038696	0	42	-1.0	-50.48	329.95	6.48	-44.00
O=C(CC1=CN=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038697	0	35	-1.0	-55.99	290.41	3.54	-52.45
CC(=C(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038698	0	39	-1.0	-51.89	318.66	5.65	-46.24
O=C([C@@H]1CCC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038699	0	36	-1.0	-57.11	292.07	0.86	-56.25
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(F)CCOCC1	REAL250005038700	0	39	-1.0	-50.10	302.68	2.90	-47.20
CC1C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1C1CC1	REAL250005038701	0	42	-1.0	-48.80	320.61	6.44	-42.36
O=C(C1CCCC12CC2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038702	0	42	-1.0	-49.82	317.56	6.39	-43.43
CCC(C#N)(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038703	0	41	-1.0	-52.75	315.03	4.23	-48.52
O=C(C1=CC=CN=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038704	0	33	-1.0	-52.42	275.75	2.68	-49.74
CC1CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C(C)O1	REAL250005038705	0	42	-1.0	-51.22	323.17	3.72	-47.50
COCC=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038706	0	36	-1.0	-52.91	296.89	2.69	-50.22
N#CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CO1	REAL250005038707	0	33	-1.0	-51.48	288.69	3.59	-47.89
NC1=CC=CN=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038708	0	36	-1.0	-51.27	299.42	1.22	-50.05
CC1=CON=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038709	0	34	-1.0	-51.51	281.00	3.53	-47.98
CC1CC1C1CC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038710	0	42	-1.0	-48.40	323.97	6.62	-41.78
CC1(C#CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038711	0	37	-1.0	-50.83	311.66	5.76	-45.07
C[N@@H+]1CCCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038712	0	44	0.0	-68.84	327.00	5.32	-63.52
C[N@H+]1CCCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038712	1	44	0.0	-73.37	319.29	4.98	-68.39
CC1(CCCC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005038713	0	40	-1.0	-55.57	326.24	0.48	-55.09
C=CC=CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038714	0	36	-1.0	-51.05	299.20	5.04	-46.01
CN(C)C(=O)C=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038715	0	39	-1.0	-52.52	318.21	3.06	-49.46
O=C(CO)NCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038716	0	39	-1.0	-64.84	322.57	-0.74	-65.58
O=C(CC1CCNC1=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038717	0	39	-1.0	-60.92	310.04	2.67	-58.25
NC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CC=N1	REAL250005038718	0	36	-1.0	-51.96	296.90	2.01	-49.95
CCCC(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038719	0	43	-1.0	-50.28	329.94	5.64	-44.64
O=C(C1C2(CC2)C12CC2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038720	0	40	-1.0	-50.55	325.95	6.75	-43.80
O=C(C1CCC=CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038721	0	42	-1.0	-50.46	319.46	5.91	-44.55
CC1=COC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038722	0	35	-1.0	-50.47	289.40	3.94	-46.53
C[C@@]1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC(=O)N1	REAL250005038723	0	39	-1.0	-51.69	303.71	1.68	-50.01
NC1=CC=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038724	0	36	-1.0	-52.37	295.85	2.02	-50.35
O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038725	0	42	-1.0	-50.55	335.53	6.88	-43.67
C=CC(C)(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038726	0	41	-1.0	-48.69	312.89	5.36	-43.33
O=C(COC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038727	0	36	-1.0	-54.28	295.94	4.19	-50.09
O=C(C1=CC(=O)C=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038728	0	35	-1.0	-65.33	291.25	3.14	-62.19
O=C(C1=CSN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038729	0	31	-1.0	-51.62	271.55	2.77	-48.85
CC1=CN(C)C=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038730	0	39	-1.0	-55.81	314.68	5.36	-50.45
O=C(C1=CC=C(F)O1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038731	0	32	-1.0	-48.14	274.23	3.50	-44.64
CC1COC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038732	0	39	-1.0	-53.09	304.42	4.10	-48.99
CC[N@@H+]1CCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038733	0	41	0.0	-70.37	308.35	4.28	-66.09
CC[N@H+]1CCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038733	1	41	0.0	-68.84	309.61	4.38	-64.46
CCN1CCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038733	1	40	-1.0	-52.63	314.15	1.83	-50.80
CCC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=NO1	REAL250005038734	0	37	-1.0	-49.99	305.41	4.49	-45.50
CC(CC[NH+](C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038735	0	46	0.0	-73.02	345.94	5.48	-67.54
O=C(CCCCCO)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038736	0	41	-1.0	-53.44	326.92	2.05	-51.39
C=C1CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038737	0	42	-1.0	-50.30	324.31	5.88	-44.42
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCCO1	REAL250005038738	0	42	-1.0	-54.15	324.00	3.76	-50.39
NC1=NN(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005038739	0	35	-1.0	-58.53	297.67	1.72	-56.81
O=C(C1=CC=NS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038740	0	31	-1.0	-50.31	270.15	2.64	-47.67
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(C2CC2)CCC1	REAL250005038741	0	42	-1.0	-50.38	317.43	6.45	-43.93
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(C2CC2)CC1	REAL250005038742	0	39	-1.0	-50.56	294.88	5.44	-45.12
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038743	0	38	-1.0	-58.76	314.02	4.89	-53.87
C[C@@H]1CC=CC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038744	0	42	-1.0	-49.11	320.09	5.86	-43.25
C#CCSCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038745	0	34	-1.0	-54.62	301.31	4.95	-49.67
O=C(C1=NC=CC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038746	0	33	-1.0	-55.63	278.25	2.90	-52.73
O=C(C1C2CCC(=O)C21)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038747	0	38	-1.0	-52.24	307.33	4.74	-47.50
CC1=NOC(C)(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038748	0	39	-1.0	-50.24	310.43	3.18	-47.06
C=C(CC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038749	0	35	-1.0	-50.32	274.96	3.80	-46.52
CCOC1C(C)C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038750	0	42	-1.0	-52.59	329.66	4.60	-47.99
O=C(CCN1C=NN=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038751	0	36	-1.0	-54.71	301.96	3.21	-51.50
NC1=CC=NN1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038752	0	37	-1.0	-55.31	306.42	2.19	-53.12
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1CCC2	REAL250005038753	0	39	-1.0	-50.19	306.65	5.45	-44.74
O=C(CC1CC=CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038754	0	42	-1.0	-50.49	322.91	6.27	-44.22
O=C(C1=C[N-]N=CC1=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038755	0	33	-2.0	-94.24	287.41	1.53	-92.71
C=C(CC(C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038756	0	41	-1.0	-49.63	310.63	4.94	-44.69
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=CCC1	REAL250005038757	0	39	-1.0	-49.47	297.53	4.91	-44.56
CCCCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038758	0	44	-1.0	-50.52	341.94	6.30	-44.22
CCC[C@H](O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038759	0	38	-1.0	-51.00	300.30	2.29	-48.71
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C(F)(F)CO	REAL250005038760	0	32	-1.0	-51.00	270.19	1.10	-49.90
CCOC=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038761	0	36	-1.0	-50.21	296.55	3.26	-46.95
CC1=COC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038762	0	34	-1.0	-53.65	284.51	0.53	-53.12
CCC(C)(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038763	0	38	-1.0	-49.01	292.86	1.19	-47.82
C=CC(CC)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038764	0	41	-1.0	-49.71	322.43	5.64	-44.07
CCN1C=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005038765	0	37	-1.0	-52.62	306.11	2.81	-49.81
CC[C@@H]1OCC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038766	0	42	-1.0	-50.23	324.78	3.80	-46.43
CC(C)(C)[NH2+]CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038767	0	46	0.0	-76.22	347.09	4.08	-72.14
CN1C(=O)CC[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038768	0	39	-1.0	-56.29	308.92	2.93	-53.36
O=C(C1CCCCC1F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038769	0	41	-1.0	-53.19	316.09	5.49	-47.70
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC=CC1	REAL250005038770	0	39	-1.0	-50.24	294.92	4.85	-45.39
CC(C)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)COC1	REAL250005038771	0	42	-1.0	-51.21	307.57	2.64	-48.57
CN1C=C(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005038772	0	37	-1.0	-64.37	307.10	2.59	-61.78
O=C(CC1=CN=CN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038773	0	36	-1.0	-55.06	300.67	4.06	-51.00
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CN=N1	REAL250005038774	0	36	-1.0	-51.33	298.22	2.73	-48.60
CC[C@H](C)[C@H](O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038775	0	41	-1.0	-48.85	305.20	2.68	-46.17
C[NH+](C)CC(O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038776	0	44	0.0	-77.79	339.20	2.81	-74.98
CC(C[NH+](C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038777	0	43	0.0	-72.77	324.29	4.85	-67.92
C[NH+](C)CC=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038778	0	41	0.0	-76.97	321.51	4.97	-72.00
O=C(C=CCO)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038779	0	33	-1.0	-54.30	274.64	0.29	-54.01
C[C@@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)N1C=NN=N1	REAL250005038780	0	36	-1.0	-61.17	295.71	2.71	-58.46
CNC(=O)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038781	0	38	-1.0	-52.70	310.61	1.37	-51.33
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038782	0	40	-1.0	-49.40	312.32	3.88	-45.52
CC1(C)CC1CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038783	0	44	-1.0	-50.20	344.19	6.55	-43.65
COC1CCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038784	0	42	-1.0	-50.03	322.61	3.72	-46.31
O=C(C1CC2CCCC21)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038785	0	42	-1.0	-50.05	319.15	6.01	-44.04
O=C(C1=CCCOCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038786	0	40	-1.0	-49.78	314.01	3.66	-46.12
O=C(C=CC1=CC=CN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038787	0	38	-1.0	-52.91	314.72	4.77	-48.14
CC1(CCC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038788	0	41	-1.0	-50.20	320.49	5.78	-44.42
O=CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CO1	REAL250005038789	0	34	-1.0	-51.93	291.17	2.88	-49.05
NC1=NC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038790	0	33	-1.0	-51.39	277.75	-1.78	-53.17
O=C(C1CCC1F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038791	0	35	-1.0	-49.36	281.83	4.35	-45.01
CCC1=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CN1	REAL250005038792	0	38	-1.0	-53.06	309.75	3.92	-49.14
CCC1=NC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1	REAL250005038792	1	38	-1.0	-53.18	308.50	3.61	-49.57
O=C(C=CC1=CC=CC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038793	0	39	-1.0	-51.67	319.85	6.53	-45.14
CC1=NOC=C1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038794	0	37	-1.0	-54.98	307.85	4.05	-50.93
COC1(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038795	0	39	-1.0	-53.30	312.20	3.35	-49.95
CC1=NSC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038796	0	34	-1.0	-50.27	291.87	3.24	-47.03
C#CC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038797	0	36	-1.0	-52.58	286.54	4.15	-48.43
C=C(CCC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038798	0	38	-1.0	-50.02	296.46	4.55	-45.47
C#CC1(O)CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038799	0	38	-1.0	-52.44	315.08	1.99	-50.45
C=CCC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038800	0	44	0.0	-71.52	330.10	5.30	-66.22
O=C([C@@H]1C[C@H]1CF)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038801	0	35	-1.0	-52.53	288.73	4.59	-47.94
CC(C)(CF)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038802	0	37	-1.0	-48.39	284.88	3.77	-44.62
C[N@@H+]1CCCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038803	0	44	0.0	-74.13	330.76	5.28	-68.85
C[N@H+]1CCCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038803	1	44	0.0	-74.54	330.81	5.28	-69.26
O=C(C1CC=CCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038804	0	37	-1.0	-53.22	292.44	4.09	-49.13
O=C(CC1CC(F)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038805	0	38	-1.0	-50.48	305.65	5.22	-45.26
O=C(CC(O)C1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038806	0	39	-1.0	-53.10	310.39	3.17	-49.93
C=C(C)CCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038807	0	41	-1.0	-50.97	328.20	5.84	-45.13
N#C[C@@H]1C[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038808	0	33	-1.0	-51.35	282.02	4.23	-47.12
N#CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC=CC1	REAL250005038809	0	37	-1.0	-47.58	299.50	4.50	-43.08
O=C(CCC[N+](=O)[O-])N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038810	0	36	-1.0	-56.96	301.60	4.23	-52.73
CC1(C)C=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038811	0	39	-1.0	-50.83	309.31	5.35	-45.48
O=C(C1=NNC=C1Cl)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038812	0	32	-1.0	-53.84	281.47	2.61	-51.23
O=C(C(O)C1(O)CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038813	0	40	-1.0	-48.62	304.53	0.73	-47.89
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(CO)CCCO1	REAL250005038814	0	40	-1.0	-49.58	303.44	0.70	-48.88
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(CO)CCC1	REAL250005038815	0	39	-1.0	-53.75	301.19	1.14	-52.61
CC(O)C(F)(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038816	0	35	-1.0	-49.45	290.51	1.38	-48.07
N#C[C@H]1C[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038817	0	33	-1.0	-60.76	277.72	4.09	-56.67
C=C(C)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038818	0	38	-1.0	-50.02	306.66	5.04	-44.98
CCC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)C	REAL250005038819	0	43	-1.0	-49.90	316.01	5.40	-44.50
O=C(CCC1=CON=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038820	0	37	-1.0	-53.03	307.39	4.24	-48.79
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=NN1C	REAL250005038821	0	38	-1.0	-53.95	308.47	3.91	-50.04
O=C(C1C2CCOCC21)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038822	0	40	-1.0	-50.45	314.09	3.92	-46.53
O=C(C#CC1CCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038823	0	38	-1.0	-52.41	315.72	3.96	-48.45
O=C(C1=CC=C(Cl)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038824	0	33	-1.0	-49.83	287.48	3.77	-46.06
CC1=C(C)NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038825	0	39	-1.0	-52.72	312.76	4.57	-48.15
CC1OCCC1(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038826	0	39	-1.0	-50.63	305.17	2.93	-47.70
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)=C1CC1	REAL250005038827	0	36	-1.0	-50.54	297.41	5.08	-45.46
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(O)COC1	REAL250005038828	0	34	-1.0	-53.87	276.34	-1.41	-55.28
CCC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)OC=N1	REAL250005038829	0	37	-1.0	-51.21	302.23	1.45	-49.76
O=C(C1=CCCS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038830	0	34	-1.0	-50.44	285.73	4.27	-46.17
CC(=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)C	REAL250005038831	0	41	-1.0	-49.67	318.15	5.59	-44.08
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=CS1	REAL250005038832	0	34	-1.0	-51.23	287.65	3.66	-47.57
CC1(C)CC(C)(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038833	0	44	-1.0	-50.18	325.98	5.48	-44.70
CSC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)C	REAL250005038834	0	41	-1.0	-49.78	324.82	5.27	-44.51
O=C(C1CC(F)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038835	0	35	-1.0	-53.31	283.56	4.37	-48.94
CCC(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038836	0	34	-1.0	-51.83	277.66	3.84	-47.99
N#CC1=CNN=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038837	0	33	-1.0	-59.86	286.69	2.57	-57.29
O=C(C=CC1=COC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038838	0	35	-1.0	-54.10	297.74	1.34	-52.76
O=C(CCC1=NNC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038839	0	38	-1.0	-52.62	312.29	3.23	-49.39
CC1CC(C)(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038840	0	41	-1.0	-50.04	305.71	4.96	-45.08
CCC1=CNC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038841	0	39	-1.0	-56.15	313.85	4.39	-51.76
C#CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCC1	REAL250005038842	0	40	-1.0	-50.09	312.73	5.50	-44.59
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC(C#N)C1	REAL250005038843	0	39	-1.0	-52.89	310.81	4.80	-48.09
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(CO)CC1	REAL250005038844	0	36	-1.0	-54.43	292.21	0.83	-53.60
O=C(CC1(O)CCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038845	0	40	-1.0	-52.60	311.53	1.07	-51.53
CN(C)C(=O)C=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038846	0	39	-1.0	-52.52	318.21	3.06	-49.46
O=C(CC1=CNN=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038847	0	35	-1.0	-55.64	290.90	2.52	-53.12
O=C(COC1=NOC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038848	0	35	-1.0	-55.45	297.85	2.09	-53.36
O=C(CC1(CO)CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038849	0	42	-1.0	-50.37	322.64	2.27	-48.10
CCC(CCOC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038850	0	44	-1.0	-52.54	342.12	3.94	-48.60
O=C(C1=NC=CN1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038851	0	32	-1.0	-51.91	266.39	2.60	-49.31
C=C(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)C	REAL250005038852	0	38	-1.0	-50.20	303.12	4.61	-45.59
CN1N=CC=C1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038853	0	38	-1.0	-55.79	311.27	3.56	-52.23
O=C(C1CSC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038854	0	34	-1.0	-57.54	290.52	0.71	-56.83
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCO1	REAL250005038855	0	37	-1.0	-50.30	288.78	3.42	-46.88
CCN1C=CC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038856	0	39	-1.0	-50.75	308.92	5.35	-45.40
O=C(C(F)=CC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038857	0	36	-1.0	-47.87	298.30	5.19	-42.68
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N(C)C=N1	REAL250005038858	0	38	-1.0	-54.00	313.87	4.86	-49.14
COC1=NNC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038859	0	36	-1.0	-51.55	298.65	-0.31	-51.86
CC1CC(=O)NC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038860	0	39	-1.0	-57.49	304.64	1.16	-56.33
O=C(C1CC1F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038861	0	32	-1.0	-54.75	265.67	3.91	-50.84
O=C(CN1N=CN=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038862	0	33	-1.0	-57.83	281.32	2.17	-55.66
CC(C)=CCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038863	0	41	-1.0	-50.14	324.70	5.83	-44.31
CC(=O)OCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038864	0	40	-1.0	-54.55	329.57	4.81	-49.74
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC(=O)C1	REAL250005038865	0	40	-1.0	-55.76	307.28	4.09	-51.67
CC(=O)CC(C)(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038866	0	42	-1.0	-49.51	315.05	4.26	-45.25
CCCC(CC)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038867	0	46	-1.0	-49.74	343.08	6.37	-43.37
O=C(C1C(F)(F)C12CC2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038868	0	36	-1.0	-52.81	306.45	5.41	-47.40
O=C(C=CC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038869	0	36	-1.0	-50.66	295.51	5.23	-45.43
O=C(C[C@H]1COC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038870	0	37	-1.0	-57.15	302.77	0.43	-56.72
CN1C=CN=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038871	0	35	-1.0	-52.02	284.84	4.32	-47.70
CC(C)NC(=O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038872	0	38	-1.0	-48.50	307.63	1.33	-47.17
CN1N=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=C1F	REAL250005038873	0	35	-1.0	-50.54	295.64	3.38	-47.16
O=C(C(F)CC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038874	0	38	-1.0	-51.77	309.53	5.38	-46.39
O=C(C1C=CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038875	0	36	-1.0	-49.72	282.08	4.63	-45.09
CCC(CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038876	0	44	-1.0	-49.83	338.54	6.51	-43.32
CC(=CC1CC1)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038877	0	39	-1.0	-51.48	306.69	5.50	-45.98
O=C(CCOC1CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038878	0	39	-1.0	-50.19	316.93	3.89	-46.30
CC1(C)OC[C@@H](C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038879	0	40	-1.0	-53.09	316.59	3.27	-49.82
N#C[C@@]1(O)C[C@H](C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038880	0	37	-1.0	-51.93	308.04	1.15	-50.78
C=CCC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038881	0	39	-1.0	-50.55	314.72	5.43	-45.12
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(F)CCCOC1	REAL250005038882	0	39	-1.0	-50.33	303.50	2.96	-47.37
CCCC(O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038883	0	38	-1.0	-50.55	300.26	2.29	-48.26
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC(F)C1	REAL250005038884	0	38	-1.0	-48.52	294.80	4.50	-44.02
CC1CCC(C)(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038885	0	44	-1.0	-50.53	325.26	5.62	-44.91
CCSC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038886	0	38	-1.0	-52.62	311.14	4.85	-47.77
O=C(CC1COCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038887	0	40	-1.0	-54.01	316.05	2.99	-51.02
CCC1(C)CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038888	0	44	-1.0	-49.58	327.55	5.76	-43.82
CC(CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(F)F	REAL250005038889	0	37	-1.0	-52.31	300.47	4.66	-47.65
C[C@@H]1C[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038890	0	35	-1.0	-50.34	282.12	4.46	-45.88
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=NS1	REAL250005038891	0	34	-1.0	-49.83	292.35	3.44	-46.39
COC(=O)C(OC)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038892	0	38	-1.0	-54.33	313.34	3.52	-50.81
CCN1C=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038893	0	37	-1.0	-57.17	305.13	5.16	-52.01
CC(C)CC(F)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038894	0	40	-1.0	-51.42	316.36	5.11	-46.31
C=C(Cl)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038895	0	35	-1.0	-49.33	302.33	4.92	-44.41
CC(CC1CCC1)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038896	0	44	-1.0	-49.90	335.91	6.25	-43.65
O=C(CCCC1CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038897	0	44	-1.0	-50.41	342.28	6.70	-43.71
C=CN1N=CC=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038898	0	36	-1.0	-53.19	296.02	3.81	-49.38
CC1=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=NN1C	REAL250005038899	0	37	-1.0	-57.69	303.27	3.78	-53.91
CCC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1	REAL250005038900	0	39	-1.0	-51.94	313.82	4.66	-47.28
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(O)CC1	REAL250005038901	0	33	-1.0	-49.67	267.97	0.81	-48.86
CN1NC(=O)C=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038902	0	36	-1.0	-57.03	303.73	0.99	-56.04
CCC1(C)C=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038903	0	42	-1.0	-50.87	326.06	5.88	-44.99
O=C(C[C@@H]1CCC[C@H]1O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038904	0	42	-1.0	-51.54	325.90	2.34	-49.20
O=C(C[C@@H]1COC[C@H]1O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038905	0	40	-1.0	-55.92	316.15	-0.20	-56.12
O=C(CC1CCC(=O)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038906	0	40	-1.0	-56.26	317.11	4.81	-51.45
CC1(C)CC(O)(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038907	0	42	-1.0	-47.74	323.86	2.60	-45.14
CCC(F)(F)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038908	0	37	-1.0	-56.00	302.80	4.73	-51.27
O=C(C1CCC2(C1)N=N2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038909	0	38	-1.0	-53.14	303.12	-0.54	-53.68
C=CCC(C)(C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038910	0	44	-1.0	-49.37	333.39	6.06	-43.31
CCC(CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)OC	REAL250005038911	0	41	-1.0	-52.30	319.10	4.59	-47.71
CC1(C)C(=O)CC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038912	0	40	-1.0	-50.25	313.28	4.23	-46.02
CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038913	0	41	-1.0	-50.33	322.65	5.79	-44.54
O=C(C1=CNC(Cl)=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038914	0	32	-1.0	-51.26	283.46	3.17	-48.09
O=C(C1=CN=C(Cl)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038914	1	32	-1.0	-50.52	282.17	2.88	-47.64
CC12CC(C(=O)N3CCC(C4=CC(=O)[N-]O4)CC3)(C1)CO2	REAL250005038915	0	40	-1.0	-49.19	311.47	3.20	-45.99
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C12CC(C1)CO2	REAL250005038916	0	37	-1.0	-48.72	292.64	3.28	-45.44
O=C([C@@H]1CC=CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038917	0	39	-1.0	-49.49	303.10	5.36	-44.13
O=C(CC1CC(=O)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038918	0	37	-1.0	-55.44	301.57	4.22	-51.22
CN(C)C(=O)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038919	0	35	-1.0	-55.13	289.43	1.61	-53.52
COC(=O)C(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038920	0	37	-1.0	-57.92	302.91	4.55	-53.37
CC(C)C1CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038921	0	44	-1.0	-50.64	338.48	6.22	-44.42
CC1=CC=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005038922	0	36	-1.0	-56.04	299.66	3.57	-52.47
CC(C)(CC#N)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038923	0	38	-1.0	-50.00	296.95	3.90	-46.10
O=C(C=CC1=CC=CC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038924	0	39	-1.0	-51.67	319.85	6.53	-45.14
CC1(CCC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005038925	0	37	-1.0	-48.90	304.73	-0.29	-49.19
O=C(C1=CN=CC(F)=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038926	0	33	-1.0	-48.59	282.41	2.18	-46.41
CC12CC(C(=O)N3CCC(C4=CC(=O)[N-]O4)CC3)(C1)OC2	REAL250005038927	0	40	-1.0	-48.59	314.28	3.82	-44.77
CC1=CC=NC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038928	0	37	-1.0	-51.84	302.24	4.79	-47.05
CC1(F)CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038929	0	38	-1.0	-51.91	303.53	4.93	-46.98
CCSCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038930	0	35	-1.0	-52.46	295.53	4.42	-48.04
CC1CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005038931	0	39	-1.0	-53.66	304.72	4.19	-49.47
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C12CCC(CO1)C2	REAL250005038932	0	40	-1.0	-48.66	306.96	3.83	-44.83
O=C(C1CC2(CC2F)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038933	0	39	-1.0	-52.24	316.44	5.77	-46.47
CC1(C)CC1(C#N)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038934	0	39	-1.0	-49.23	317.40	4.97	-44.26
O=C(C[C@@H]1CC=CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038935	0	42	-1.0	-50.77	322.95	6.24	-44.53
CCC1=CNC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038936	0	39	-1.0	-53.03	313.81	4.80	-48.23
O=C(C=CC1CCCO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038937	0	40	-1.0	-50.49	318.35	4.14	-46.35
CC1=CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038938	0	42	-1.0	-49.31	323.68	5.94	-43.37
CC[C@H](CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C(C)C	REAL250005038939	0	46	-1.0	-49.71	339.36	6.08	-43.63
O=C(CC12CC(C1)C2)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038940	0	39	-1.0	-50.95	304.81	5.78	-45.17
CCC=CC=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038941	0	39	-1.0	-50.81	319.79	5.85	-44.96
O=C(CC1CC=CC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038942	0	39	-1.0	-50.56	307.10	5.60	-44.96
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CN1	REAL250005038943	0	36	-1.0	-56.25	293.12	3.45	-52.80
O=C(CCCCCF)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038944	0	40	-1.0	-52.37	322.09	5.53	-46.84
O=C(C1CC(=O)CO1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038945	0	35	-1.0	-54.34	286.55	2.52	-51.82
CC1=NN=NN1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038946	0	36	-1.0	-60.11	300.99	2.40	-57.71
CN1N=NC=C1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038947	0	37	-1.0	-58.53	305.42	2.38	-56.15
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1[C@H](F)C2	REAL250005038948	0	36	-1.0	-53.92	293.79	4.97	-48.95
O=C(C1=NC=C(F)C=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038949	0	33	-1.0	-52.01	284.68	2.96	-49.05
CC1=NN(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005038950	0	36	-1.0	-58.89	303.34	2.05	-56.84
C#CC1=CC=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038951	0	37	-1.0	-51.20	314.17	6.23	-44.97
O=C(CC1CC2CC2C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038952	0	42	-1.0	-50.69	324.94	6.47	-44.22
O=C(C1=CCCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038953	0	37	-1.0	-50.88	297.98	2.99	-47.89
CCC1=NON=C1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038954	0	36	-1.0	-46.82	298.12	3.61	-43.21
O=C(C1=NOC(CF)=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038955	0	34	-1.0	-51.61	290.51	3.85	-47.76
C=CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038956	0	39	-1.0	-49.97	298.35	5.38	-44.59
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C12CCC(C1)OC2	REAL250005038957	0	40	-1.0	-50.53	303.45	3.16	-47.37
CCC1=NOC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005038958	0	37	-1.0	-49.24	305.40	3.87	-45.37
C[C@@H]1C[C@]2(C(=O)N3CCC(C4=CC(=O)[N-]O4)CC3)C[C@H]12	REAL250005038959	0	39	-1.0	-50.24	307.27	5.47	-44.77
O=C(C=CC1=CC=NC=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038960	0	38	-1.0	-52.75	314.89	4.78	-47.97
O=C(C1COC(=O)O1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038961	0	33	-1.0	-61.24	276.64	3.37	-57.87
CC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCOC1	REAL250005038962	0	42	-1.0	-50.73	322.76	3.42	-47.31
CO[C@H](C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038963	0	35	-1.0	-53.17	279.11	2.89	-50.28
O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038964	0	39	-1.0	-50.43	299.17	5.43	-45.00
CC1CCOC1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038965	0	42	-1.0	-54.13	323.06	4.33	-49.80
CC1=CC=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)N1	REAL250005038966	0	36	-1.0	-52.44	292.37	3.93	-48.51
CCCOCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038967	0	44	-1.0	-52.85	349.56	4.68	-48.17
CO[C@@H]1C[C@@]2(C(=O)N3CCC(C4=CC(=O)[N-]O4)CC3)C[C@@H]12	REAL250005038968	0	40	-1.0	-54.05	320.64	3.86	-50.19
CC1(CC(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCCO1	REAL250005038969	0	42	-1.0	-51.53	318.30	4.81	-46.72
O=C(CC1CC2(CC2)C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038970	0	42	-1.0	-50.91	331.17	6.51	-44.40
CCC(C)CC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038971	0	46	-1.0	-49.61	342.85	6.02	-43.59
O=C([C@H]1CC1(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038972	0	32	-1.0	-53.90	272.28	4.01	-49.89
C[C@@H]1C[C@@]2(C(=O)N3CCC(C4=CC(=O)[N-]O4)CC3)C[C@@H]12	REAL250005038973	0	39	-1.0	-50.57	308.67	5.53	-45.04
O=C([C@@H]1CCC(=O)O1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038974	0	35	-1.0	-60.78	285.82	4.17	-56.61
O=C(C(F)C1CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038975	0	38	-1.0	-51.29	300.08	5.07	-46.22
O=C(C(F)C1CCOC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038976	0	39	-1.0	-53.06	307.99	3.11	-49.95
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C12CC(C1)OC2	REAL250005038977	0	37	-1.0	-49.55	289.59	2.60	-46.95
[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038978	0	37	-1.0	-50.10	307.01	0.90	-49.20
C[C@H]1C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)[C@H]1C	REAL250005038979	0	38	-1.0	-50.33	300.29	5.07	-45.26
C[C@@H]1OCC[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038980	0	39	-1.0	-53.01	297.01	2.73	-50.28
O=C([C@@H]1CC1(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038981	0	32	-1.0	-52.58	272.51	4.01	-48.57
O=C([C@@H]1C[C@@H]1C(F)F)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038982	0	35	-1.0	-51.42	288.02	4.80	-46.62
N#CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC(=O)C1	REAL250005038983	0	35	-1.0	-49.92	295.82	3.18	-46.74
CC(C)(C#N)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038984	0	41	-1.0	-56.75	327.01	5.15	-51.60
[N-]=[N+]=NCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038986	0	33	-1.0	-49.36	281.18	-0.31	-49.67
[N-]=[N+]=NCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038987	0	36	-1.0	-53.33	302.68	0.49	-52.84
CNC(=O)NC(C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038988	0	40	-1.0	-53.43	322.64	-0.02	-53.45
CNC(=O)N[C@@H](C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038989	0	40	-1.0	-51.83	323.10	0.01	-51.82
CNC(=O)N[C@H](C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038990	0	40	-1.0	-53.62	322.83	0.01	-53.61
CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C=CCCC1	REAL250005038991	0	42	-1.0	-49.24	312.79	5.39	-43.85
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C1(C2CCC2)CC1	REAL250005038992	0	42	-1.0	-49.67	316.94	5.66	-44.01
CC(C)(F)CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038993	0	40	-1.0	-51.26	316.50	5.15	-46.11
O=C(CN1C=NC=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038994	0	34	-1.0	-61.29	285.99	4.86	-56.43
COCC(C)(O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038995	0	42	-1.0	-55.44	330.33	1.53	-53.91
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038996	0	44	0.0	-75.19	335.71	5.47	-69.72
CCC1=NOC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038997	0	39	-1.0	-56.28	314.10	4.47	-51.81
CC1=C(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)SN=C1	REAL250005038998	0	34	-1.0	-50.00	291.14	3.37	-46.63
CC(C)(CCC#N)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038999	0	41	-1.0	-56.71	315.33	4.69	-52.02
C#CCOCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039000	0	34	-1.0	-56.28	291.36	3.94	-52.34
C#C[C@H]1C[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039001	0	34	-1.0	-53.26	283.87	4.96	-48.30
O=C([C@H]1CC(=O)N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039002	0	33	-1.0	-57.21	275.62	-0.34	-57.55
O=C(C1=COC(Cl)=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039003	0	32	-1.0	-49.37	284.85	3.70	-45.67
O=C(C1C2C3CC1CC32)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039004	0	40	-1.0	-50.92	304.65	5.76	-45.16
O=C(C=CC1CCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039005	0	39	-1.0	-50.52	311.94	5.75	-44.77
CC1=CC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)=CN1C	REAL250005039006	0	39	-1.0	-56.55	312.95	5.07	-51.48
O=C(CC1=CN=NS1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039007	0	33	-1.0	-55.57	289.80	2.72	-52.85
O=C1C=C(C2CCN(C3=CC=C([N+](=O)[O-])C=C3)CC2)O[N-]1	REAL250005039008	0	35	-1.0	-48.93	291.92	5.04	-43.89
O=C1C=C(C2CCN(C3=CC=CC=C3[N+](=O)[O-])CC2)O[N-]1	REAL250005039009	0	35	-1.0	-55.30	293.79	6.34	-48.96
O=C1C=C(C2CCN(C3=NC=CC=C3[N+](=O)[O-])CC2)O[N-]1	REAL250005039010	0	34	-1.0	-54.61	289.09	5.41	-49.20
N#CC1=C(F)C=CC=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039011	0	34	-1.0	-55.69	293.96	5.27	-50.42
O=C1C=C(C2CCN(C3=NC4=CC=CC=C4N=C3)CC2)O[N-]1	REAL250005039012	0	37	-1.0	-49.78	302.73	3.95	-45.83
O=C1C=C(C2CCN(C3=CC=C([N+](=O)[O-])C=N3)CC2)O[N-]1	REAL250005039013	0	34	-1.0	-48.02	289.79	4.43	-43.59
O=C1C=C(C2CCN(C3=NC4=CC=CC=C4O3)CC2)O[N-]1	REAL250005039014	0	35	-1.0	-50.07	291.29	2.09	-47.98
CN1C=NC([N+](=O)[O-])=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039015	0	35	-1.0	-59.64	292.01	6.18	-53.46
O=C1C=C(C2CCN(C3=NC=NC4=CC=CC=C43)CC2)O[N-]1	REAL250005039016	0	37	-1.0	-47.70	305.57	5.79	-41.91
COC1=CC=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039017	0	35	-1.0	-48.49	290.08	2.56	-45.93
N#CC1=CC=CN=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039018	0	33	-1.0	-52.88	284.93	4.36	-48.52
N#CC1=CC=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1	REAL250005039019	0	33	-1.0	-48.66	282.11	4.17	-44.49
O=C1C=C(C2CCN(C3=NN4N=NN=C4C=C3)CC2)O[N-]1	REAL250005039020	0	33	-1.0	-58.37	277.90	3.08	-55.29
O=C1C=C(C2CCN(C3=CN=CC(Cl)=N3)CC2)O[N-]1	REAL250005039021	0	31	-1.0	-46.55	273.17	2.31	-44.24
O=C1C=C(C2CCN(C3=NC=NC4=NNC=C43)CC2)O[N-]1	REAL250005039022	0	34	-1.0	-53.62	280.64	3.27	-50.35
NC1=NC(Cl)=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039023	0	33	-1.0	-46.80	288.60	3.37	-43.43
CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC(C)=[NH+]1	REAL250005039024	0	38	0.0	-64.63	302.90	4.54	-60.09
CC1=NN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)C(C#N)=C1C	REAL250005039025	0	38	-1.0	-51.57	316.92	4.17	-47.40
O=C1C=C(C2CCN(C3=NC=CC=C3[N+](=O)[O-])CC2)O[N-]1	REAL250005039026	0	34	-1.0	-54.61	289.09	5.41	-49.20
O=C1C=C(C2CCN(C3=NC=C([N+](=O)[O-])C=N3)CC2)O[N-]1	REAL250005039027	0	33	-1.0	-46.92	286.29	4.65	-42.27
O=C1C=C(C2CCN(C3=CC=C([N+](=O)[O-])C=N3)CC2)O[N-]1	REAL250005039028	0	34	-1.0	-48.02	289.79	4.43	-43.59
O=C1C=C(C2CCN(C3=NC4=NC=CN=C4C=C3)CC2)O[N-]1	REAL250005039029	0	36	-1.0	-54.23	297.42	3.07	-51.16
O=C1C=C(C2CCN(C3=NC=NC4=C3CCC4)CC2)O[N-]1	REAL250005039030	0	38	-1.0	-48.02	298.31	5.31	-42.71
N#CC1=NC=CN=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039031	0	32	-1.0	-53.41	279.79	2.42	-50.99
CC1=NC(C)=C(F)C(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039032	0	37	-1.0	-46.93	303.18	4.16	-42.77
CC1=NC(Cl)=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039033	0	34	-1.0	-46.35	295.18	3.95	-42.40
O=C1C=C(C2CCN(C3=C4C=CNC4=NC=N3)CC2)O[N-]1	REAL250005039034	0	35	-1.0	-50.43	284.87	4.53	-45.90
N#CC1=CC=CN=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039035	0	33	-1.0	-52.88	284.93	4.36	-48.52
N#CC1=CN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)C=N1	REAL250005039036	0	32	-1.0	-48.40	277.19	2.21	-46.19
CC(C)C1=NC=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039037	0	40	-1.0	-48.97	318.45	4.45	-44.52
CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=N1	REAL250005039038	0	34	-1.0	-47.51	278.07	4.20	-43.31
CC(C)C1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=N1	REAL250005039039	0	40	-1.0	-46.99	316.76	5.42	-41.57
COC1=CC(C)=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039040	0	38	-1.0	-48.38	311.77	3.26	-45.12
CC1=NSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039041	0	31	-1.0	-47.11	269.73	2.70	-44.41
CC1=CC=C2OC(N3CCC(C4=CC(=O)[N-]O4)CC3)=NC2=C1	REAL250005039042	0	38	-1.0	-49.87	312.68	2.76	-47.11
O=C1C=C(C2CCN(C3=NC4=CC=CC=C4N=C3)CC2)O[N-]1	REAL250005039043	0	37	-1.0	-49.78	302.73	3.95	-45.83
CCC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC(C)=[NH+]1	REAL250005039044	0	41	0.0	-63.52	324.34	5.27	-58.25
CCC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC(C)=N1	REAL250005039044	1	40	-1.0	-47.46	320.76	4.94	-42.52
O=C1C=C(C2CCN(C3=NC=CN4C=NN=C34)CC2)O[N-]1	REAL250005039045	0	34	-1.0	-54.23	280.35	6.47	-47.76
CC1=CC=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039046	0	34	-1.0	-49.78	279.45	4.62	-45.16
CC1=NC=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039047	0	34	-1.0	-47.76	278.23	3.53	-44.23
CC1=[NH+]C=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039047	1	35	0.0	-68.87	281.36	3.98	-64.89
CC1=CC=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005039048	0	34	-1.0	-50.70	278.13	3.18	-47.52
CC1=[NH+]C(N2CCC(C3=CC(=O)[N-]O3)CC2)=C2C=CNC2=N1	REAL250005039049	0	39	0.0	-61.01	304.76	4.42	-56.59
CN1C=CN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)C1=O	REAL250005039050	0	35	-1.0	-52.93	284.04	3.79	-49.14
CCC1=NSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039051	0	34	-1.0	-46.90	291.22	3.31	-43.59
CC1=[NH+]C(C)=C(C)C(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039052	0	41	0.0	-63.76	322.10	5.42	-58.34
CC1=NC(C)=C(C)C(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039052	1	40	-1.0	-47.35	319.82	5.05	-42.30
CC(C)C1=NSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039053	0	37	-1.0	-46.84	311.62	3.85	-42.99
O=C1C=C(C2CCN(C3=NC(C4CC4)=NS3)CC2)O[N-]1	REAL250005039054	0	35	-1.0	-47.35	300.50	4.30	-43.05
O=C1C=C(C2CCN(C3=NC=C(Cl)C=N3)CC2)O[N-]1	REAL250005039055	0	31	-1.0	-46.83	274.56	4.50	-42.33
O=C1C=C(C2CCN(C3=NC=CN4N=NN=C34)CC2)O[N-]1	REAL250005039056	0	33	-1.0	-52.68	275.01	3.35	-49.33
N#CC1=CC=CN=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039057	0	33	-1.0	-52.88	284.93	4.36	-48.52
COC1=NC(C)=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039058	0	38	-1.0	-49.82	310.23	1.03	-48.79
O=C1C=C(C2CCN(C3=NC=CC=C3[N+](=O)[O-])CC2)O[N-]1	REAL250005039059	0	34	-1.0	-54.61	289.09	5.41	-49.20
N#CC1=NC=CN=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039060	0	32	-1.0	-53.41	279.79	2.42	-50.99
CC1=CC(C)=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039061	0	37	-1.0	-49.82	301.12	5.22	-44.60
O=C1C=C(C2CCN(C3=C([N+](=O)[O-])C=CS3)CC2)O[N-]1	REAL250005039062	0	32	-1.0	-52.04	287.80	5.14	-46.90
O=C1C=C(C2CCN(C3=NC=C(F)C=N3)CC2)O[N-]1	REAL250005039063	0	31	-1.0	-47.09	264.21	4.09	-43.00
COCC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=N1	REAL250005039064	0	38	-1.0	-47.55	309.63	3.40	-44.15
CC1=CC=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=C1C#N	REAL250005039065	0	36	-1.0	-52.83	304.84	4.72	-48.11
CCC1=CC(C)=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039066	0	40	-1.0	-49.62	321.95	6.00	-43.62
CCN1C=CN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)C1=O	REAL250005039067	0	38	-1.0	-53.02	305.85	4.73	-48.29
CCC1=NC=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=C1F	REAL250005039068	0	37	-1.0	-46.60	302.83	4.95	-41.65
N#CC1=CC=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039069	0	33	-1.0	-51.24	282.39	4.09	-47.15
N#CC1=CN=CC=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039070	0	33	-1.0	-52.55	283.29	3.44	-49.11
CCOC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=N1	REAL250005039071	0	38	-1.0	-47.14	310.57	2.97	-44.17
O=C1C=C(C2CCN(C3=NC=C(Cl)S3)CC2)O[N-]1	REAL250005039072	0	29	-1.0	-45.88	269.23	3.12	-42.76
N#CC1=NC=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039073	0	32	-1.0	-50.36	277.50	3.14	-47.22
N#CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=N1	REAL250005039074	0	32	-1.0	-47.94	277.43	3.89	-44.05
O=C1C=C(C2CCN(C3=NC=C([N+](=O)[O-])S3)CC2)O[N-]1	REAL250005039075	0	31	-1.0	-46.68	283.02	3.55	-43.13
CC1=NN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1C	REAL250005039076	0	36	-1.0	-51.29	292.53	3.85	-47.44
O=C1C=C(C2CCN(C3=NC=NC=C3Cl)CC2)O[N-]1	REAL250005039077	0	31	-1.0	-46.29	275.73	4.20	-42.09
CC1=NSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039078	0	31	-1.0	-47.11	269.73	2.70	-44.41
N#CC1=CC=CC(C#N)=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039079	0	35	-1.0	-56.22	300.80	5.12	-51.10
CC1=NN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)C(C#N)=C1C	REAL250005039080	0	38	-1.0	-51.57	316.92	4.17	-47.40
CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC(CO)=N1	REAL250005039081	0	38	-1.0	-50.46	311.31	0.71	-49.75
O=C1C=C(C2CCN(C3=C4C=CC=CC4=CN=N3)CC2)O[N-]1	REAL250005039082	0	37	-1.0	-51.10	305.08	5.18	-45.92
N#CC1=CN=CN=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039083	0	32	-1.0	-50.13	279.86	4.13	-46.00
CC1=CC=C(C#N)C(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039084	0	36	-1.0	-52.65	307.03	4.80	-47.85
CC1=NSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=C1C#N	REAL250005039085	0	33	-1.0	-48.52	289.54	3.01	-45.51
CCC1=[NH+]C(C)=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039086	0	41	0.0	-64.24	323.43	5.27	-58.97
CCC1=NC(C)=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039086	1	40	-1.0	-47.69	321.39	4.75	-42.94
O=C1C=C(C2CCN(C3=NC=C(F)C=N3)CC2)O[N-]1	REAL250005039087	0	31	-1.0	-47.09	264.21	4.09	-43.00
O=C1C=C(C2CCN(C3=NC=NC4=CN=CC=C43)CC2)O[N-]1	REAL250005039088	0	36	-1.0	-46.60	300.64	4.00	-42.60
N#CC1=CC=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1	REAL250005039089	0	33	-1.0	-48.66	282.11	4.17	-44.49
CC1=NC(C#N)=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039090	0	35	-1.0	-47.58	299.29	3.83	-43.75
CCC1=NC(C#N)=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039091	0	38	-1.0	-47.27	320.74	4.45	-42.82
CC1=CC(C#N)=CN=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039092	0	36	-1.0	-47.35	306.15	5.06	-42.29
CC1=C2OC(N3CCC(C4=CC(=O)[N-]O4)CC3)=NC2=CC=C1	REAL250005039093	0	38	-1.0	-49.74	312.69	2.99	-46.75
N#CC1=CC=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005039094	0	32	-1.0	-50.96	277.41	2.88	-48.08
N#CC1=CC=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039095	0	32	-1.0	-51.21	278.78	4.32	-46.89
CC1=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=CC=C1C#N	REAL250005039096	0	36	-1.0	-48.13	301.51	4.63	-43.50
CCCC1=NSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039097	0	37	-1.0	-46.69	312.72	4.09	-42.60
CCCC1=NSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039098	0	37	-1.0	-46.69	312.72	4.09	-42.60
CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=N1	REAL250005039099	0	34	-1.0	-47.51	278.07	4.20	-43.31
CC1=CN=C(C)N=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039100	0	37	-1.0	-47.00	301.64	4.53	-42.47
CC1=C[NH+]=C(C)N=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039100	1	38	0.0	-67.96	305.33	4.81	-63.15
N#CC1=NC=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039101	0	32	-1.0	-50.36	277.50	3.14	-47.22
CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=C1C#N	REAL250005039102	0	36	-1.0	-48.06	301.53	4.69	-43.37
CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC(C)=C1C#N	REAL250005039103	0	39	-1.0	-47.70	320.86	5.16	-42.54
N#CC1=CN=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=C1	REAL250005039104	0	32	-1.0	-48.94	277.41	2.97	-45.97
O=C1C=C(C2CCN(C3=NC=C(F)C=N3)CC2)O[N-]1	REAL250005039105	0	31	-1.0	-47.09	264.21	4.09	-43.00
N#CC1=CN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)C(F)=C1	REAL250005039106	0	33	-1.0	-48.07	286.36	4.22	-43.85
O=C1C=C(C2CCN(C3=CN=C(F)C=N3)CC2)O[N-]1	REAL250005039107	0	31	-1.0	-46.97	262.72	1.83	-45.14
N#CC1=CN=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039108	0	32	-1.0	-48.77	277.27	2.19	-46.58
N#CC1=CC=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1	REAL250005039109	0	33	-1.0	-48.66	282.11	4.17	-44.49
CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=C(C#N)C=N1	REAL250005039110	0	36	-1.0	-51.95	304.88	4.06	-47.89
O=C1C=C(C2CCN(C3=NC=CN=C3F)CC2)O[N-]1	REAL250005039111	0	31	-1.0	-49.74	260.42	1.85	-47.89
NC(=O)C1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=N1	REAL250005039112	0	35	-1.0	-49.91	293.64	0.41	-49.50
NC(=O)C1=NC=CN=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039113	0	35	-1.0	-54.59	293.62	-0.31	-54.90
N#CC1=CN=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039114	0	32	-1.0	-48.77	277.27	2.19	-46.58
CCC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=N1	REAL250005039115	0	37	-1.0	-47.10	298.90	4.99	-42.11
O=C1C=C(C2CCN(C3=CC(F)=NC=N3)CC2)O[N-]1	REAL250005039116	0	31	-1.0	-46.65	262.83	3.53	-43.12
O=C1C=C(C2CCN(C3=NC(=O)NC(Cl)=C3)CC2)O[N-]1	REAL250005039117	0	32	-1.0	-56.00	282.26	2.12	-53.88
O=C1C=C(C2CCN(C3=NC(=O)[N-]C(Cl)=C3)CC2)O[N-]1	REAL250005039117	1	31	-2.0	-97.33	278.92	0.97	-96.36
O=C1C=C(C2CCN(C3=NC(Cl)=CS3)CC2)O[N-]1	REAL250005039118	0	29	-1.0	-46.36	269.75	3.12	-43.24
CCC1=NSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039119	0	34	-1.0	-46.90	291.22	3.31	-43.59
CC1=CN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1	REAL250005039120	0	34	-1.0	-49.20	279.27	4.65	-44.55
CC1=CC=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=N1	REAL250005039121	0	34	-1.0	-50.70	278.13	3.18	-47.52
CN1C=CN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)C1=O	REAL250005039122	0	35	-1.0	-52.93	284.04	3.79	-49.14
CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC=N1	REAL250005039123	0	34	-1.0	-47.51	278.07	4.20	-43.31
O=C1C=C(C2CCN(C3=CC(C4CC4)=NC=N3)CC2)O[N-]1	REAL250005039124	0	38	-1.0	-47.09	306.40	5.63	-41.46
CC1=CN=CN=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039125	0	34	-1.0	-46.70	279.80	4.58	-42.12
O=C1C=C(C2CCN(C3=CC=C([N+](=O)[O-])C=N3)CC2)O[N-]1	REAL250005039126	0	34	-1.0	-48.02	289.79	4.43	-43.59
O=C1C=C(C2CCN(C3=CC=CN=C3[N+](=O)[O-])CC2)O[N-]1	REAL250005039127	0	34	-1.0	-60.35	287.75	5.71	-54.64
O=C1C=C(C2CCN(C3=C([N+](=O)[O-])SC=C3)CC2)O[N-]1	REAL250005039128	0	32	-1.0	-54.84	287.50	5.05	-49.79
CC1=CC(C#N)=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039129	0	36	-1.0	-48.33	303.96	4.77	-43.56
CCC1=CSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039130	0	35	-1.0	-47.41	295.46	3.84	-43.57
O=C1C=C(C2CCN(C3=CC(Cl)=NNC3=O)CC2)O[N-]1	REAL250005039131	0	32	-1.0	-47.39	288.01	1.62	-45.77
O=C1C=C(C2CCN(C3=CC(Cl)=NNC3=O)CC2)O[N-]1	REAL250005039132	0	32	-1.0	-47.39	288.01	1.62	-45.77
CC1=CN=C(C)C(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039133	0	37	-1.0	-47.35	301.57	3.52	-43.83
O=C1C=C(C2CCN(C3=CC(C4CC4)=NC=N3)CC2)O[N-]1	REAL250005039134	0	38	-1.0	-47.09	306.40	5.63	-41.46
CC1=NSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039135	0	31	-1.0	-47.11	269.73	2.70	-44.41
O=C1C=C(C2CCN(C3=CC(C(F)F)=NC=N3)CC2)O[N-]1	REAL250005039136	0	34	-1.0	-47.21	291.09	4.45	-42.76
COCC1=NC=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039137	0	38	-1.0	-49.87	311.89	2.50	-47.37
CN1N=CC([N+](=O)[O-])=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039138	0	35	-1.0	-52.61	291.91	3.68	-48.93
O=C1C=C(C2CCN(C3=NC=CS3)CC2)O[N-]1	REAL250005039139	0	29	-1.0	-47.30	252.16	2.50	-44.80
O=C1C=C(C2CCN(C3=CN=C(Cl)C=N3)CC2)O[N-]1	REAL250005039140	0	31	-1.0	-46.48	273.17	2.32	-44.16
NC1=NC(Cl)=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039141	0	32	-1.0	-47.23	284.99	4.59	-42.64
N#CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=CC=N1	REAL250005039142	0	33	-1.0	-49.87	279.83	2.91	-46.96
O=C1C=C(C2CCN(C3=CC=NC=C3F)CC2)O[N-]1	REAL250005039143	0	32	-1.0	-46.87	262.17	2.61	-44.26
N#CC1=CC=NN=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039144	0	32	-1.0	-52.99	280.51	3.05	-49.94
O=C1C=C(C2CCN(C3=NC=NC4=CC=CN=C43)CC2)O[N-]1	REAL250005039145	0	36	-1.0	-50.76	295.35	4.41	-46.35
CN1C=C([N+](=O)[O-])C(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039146	0	35	-1.0	-55.23	302.25	4.14	-51.09
O=CC1=CC=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1	REAL250005039147	0	34	-1.0	-50.31	284.53	3.51	-46.80
CC1=C2N=C(N3CCC(C4=CC(=O)[N-]O4)CC3)OC2=CC=C1	REAL250005039148	0	38	-1.0	-50.11	312.72	2.74	-47.37
O=C1C=C(C2CCN(C3=NC=CN4C=NN=C34)CC2)O[N-]1	REAL250005039149	0	34	-1.0	-54.23	280.35	6.47	-47.76
O=C1C=C(C2CCN(C3=C(F)C=NC=C3Cl)CC2)O[N-]1	REAL250005039150	0	32	-1.0	-45.92	274.21	3.08	-42.84
CN1C(=O)C=C(N2CCC(C3=CC(=O)[N-]O3)CC2)NC1=O	REAL250005039151	0	36	-1.0	-52.26	294.54	2.95	-49.31
CCOC1=CC=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039152	0	38	-1.0	-48.38	311.94	3.50	-44.88
CC1=NC=NC(N2CCC(C3=CC(=O)[N-]O3)CC2)=C1F	REAL250005039153	0	34	-1.0	-46.82	281.35	4.22	-42.60
O=C1C=C(C2CCN(C3=CC=NC4=NC=NN43)CC2)O[N-]1	REAL250005039154	0	34	-1.0	-55.25	277.99	7.78	-47.47
O=C1C=C(C2CCN(C3=NC=C(Cl)C=N3)CC2)O[N-]1	REAL250005039155	0	31	-1.0	-46.83	274.56	4.50	-42.33
N#CC1=NC=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1C#N	REAL250005039156	0	33	-1.0	-50.35	296.95	2.38	-47.97
CN(C)C1=[NH+]C=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039157	0	40	0.0	-66.09	313.38	6.45	-59.64
O=C1C=C(C2CCN(C3=CC=[NH+]C4=CC=CC=C43)CC2)O[N-]1	REAL250005039158	0	39	0.0	-67.79	311.54	5.77	-62.02
O=C1C=C(C2CCN(C3=CC=C(C(F)F)C=N3)CC2)O[N-]1	REAL250005039159	0	35	-1.0	-48.50	295.65	4.69	-43.81
N#CC1=CC=C(N2CCC(C3=CC(=O)[N-]O3)CC2)N=C1	REAL250005039160	0	33	-1.0	-48.66	282.11	4.17	-44.49
O=C1C=C(C2CCN(C3=NC([N+](=O)[O-])=CC=C3)CC2)O[N-]1	REAL250005039161	0	34	-1.0	-54.36	290.57	5.43	-48.93
CC1=NN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)O1	REAL250005039162	0	31	-1.0	-49.01	261.44	-1.86	-50.87
O=C1C=C(C2CCN(C3=NC=NN4C=CC=C34)CC2)O[N-]1	REAL250005039163	0	35	-1.0	-50.13	285.55	6.18	-43.95
O=C1C=C(C2CCN(C3=NC=C4NC=NC4=N3)CC2)O[N-]1	REAL250005039164	0	34	-1.0	-58.85	283.38	4.65	-54.20
O=C1C=C(C2CCN(C3=NC=C4N=CNC4=N3)CC2)O[N-]1	REAL250005039164	1	34	-1.0	-52.73	283.45	4.74	-47.99
CC1=CN=C(C)N=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039165	0	37	-1.0	-47.00	301.64	4.53	-42.47
CC1=C[NH+]=C(C)N=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039165	1	38	0.0	-67.96	305.33	4.81	-63.15
CC1=CN=C(C#N)N=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039166	0	35	-1.0	-48.89	301.46	3.98	-44.91
CC1=CSC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039167	0	32	-1.0	-47.47	273.96	3.10	-44.37
CSC1=NC=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039168	0	35	-1.0	-48.97	299.39	4.09	-44.88
O=C1C=C(C2CCN(C3=NC=NC4=C3CCO4)CC2)O[N-]1	REAL250005039169	0	36	-1.0	-48.40	295.45	2.01	-46.39
N#CC1=CN=C(N2CCC(C3=CC(=O)[N-]O3)CC2)C=N1	REAL250005039170	0	32	-1.0	-48.40	277.19	2.21	-46.19
CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039171	0	38	-1.0	-46.36	305.03	2.71	-43.65
CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039172	0	35	-1.0	-57.15	282.25	1.69	-55.46
CN(CC1CCCN1C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005039173	0	39	-1.0	-57.09	314.62	3.31	-53.78
COCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039174	0	39	-1.0	-49.08	317.75	2.05	-47.03
CCCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039175	0	41	-1.0	-46.02	326.39	3.44	-42.58
CC(C)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039176	0	41	-1.0	-45.93	321.84	3.16	-42.77
CN(CC1CCCN1C(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005039177	0	36	-1.0	-44.43	297.29	-1.98	-46.41
C=CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039178	0	39	-1.0	-46.40	317.93	3.25	-43.15
CN(CC1CCCN1C(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005039179	0	36	-1.0	-50.77	295.50	-0.24	-51.01
CC(O)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039180	0	39	-1.0	-46.84	311.84	0.33	-46.51
CN(CC1CCCN1C(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005039181	0	38	-1.0	-45.42	311.62	2.85	-42.57
C[C@@H](O)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039182	0	39	-1.0	-46.75	311.86	0.34	-46.41
C[C@H](O)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039183	0	39	-1.0	-46.52	311.46	0.31	-46.21
CC=CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039184	0	39	-1.0	-46.22	317.82	3.27	-42.95
COCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039185	0	39	-1.0	-49.52	316.37	1.98	-47.54
CCCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039186	0	41	-1.0	-46.83	325.15	3.43	-43.40
CC(C)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039187	0	41	-1.0	-46.14	320.01	3.11	-43.03
CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039188	0	38	-1.0	-47.10	303.65	2.67	-44.43
CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039189	0	35	-1.0	-46.97	282.83	1.84	-45.13
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005039190	0	39	-1.0	-46.76	314.16	3.42	-43.34
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005039191	0	36	-1.0	-45.02	296.72	-1.94	-46.96
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005039192	0	36	-1.0	-51.22	294.13	-0.30	-51.52
CC(O)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039193	0	39	-1.0	-47.35	309.94	0.23	-47.12
CC(=O)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039194	0	37	-1.0	-44.54	304.11	1.86	-42.68
CC=CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039195	0	39	-1.0	-47.05	317.63	3.24	-43.81
C[C@H](O)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039196	0	39	-1.0	-46.95	310.34	0.20	-46.75
C=CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039197	0	39	-1.0	-47.06	316.56	3.22	-43.84
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005039198	0	36	-1.0	-54.95	303.12	2.35	-52.60
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005039199	0	38	-1.0	-46.13	310.25	2.81	-43.32
C[C@@H](O)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039200	0	39	-1.0	-58.31	311.16	0.25	-58.06
C=CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005039201	0	36	-1.0	-47.19	294.75	2.38	-44.81
CCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039202	0	35	-1.0	-48.42	300.50	-0.27	-48.69
COCCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039203	0	39	-1.0	-48.21	334.17	-1.20	-49.41
CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039204	0	32	-1.0	-48.81	280.19	-1.08	-49.89
O=C(NCC1CC(NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005039205	0	36	-1.0	-48.40	311.11	0.46	-47.94
O=C(NCC1CC(NC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005039206	0	39	-1.0	-48.30	327.37	0.95	-47.35
O=C(CC1CC1)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039207	0	39	-1.0	-48.49	331.39	1.27	-47.22
CC(C)(F)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039208	0	38	-1.0	-46.62	326.17	0.44	-46.18
COCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039209	0	36	-1.0	-51.54	313.22	-0.91	-52.45
CCCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039210	0	38	-1.0	-48.26	321.99	0.50	-47.76
CC(C)CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039211	0	41	-1.0	-47.72	338.72	1.08	-46.64
CC1CC1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039212	0	39	-1.0	-48.24	332.41	1.17	-47.07
CCOCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039213	0	39	-1.0	-51.63	335.07	0.05	-51.58
CC(C)=CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039214	0	39	-1.0	-47.55	329.97	1.04	-46.51
CSCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039215	0	36	-1.0	-50.65	323.56	0.16	-50.49
CCCCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039216	0	41	-1.0	-48.26	343.49	1.28	-46.98
CC(C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039217	0	38	-1.0	-48.11	320.05	0.40	-47.71
CCC(C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039218	0	41	-1.0	-47.97	338.17	1.04	-46.93
COC(C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039219	0	39	-1.0	-51.31	333.01	-0.22	-51.53
C=CCCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039220	0	39	-1.0	-48.11	334.80	1.06	-47.05
CC=C(C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039221	0	39	-1.0	-48.49	328.81	1.02	-47.47
CC1(C(=O)NC2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005039222	0	39	-1.0	-48.05	328.72	1.11	-46.94
C[C@@H]1C[C@H]1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039223	0	39	-1.0	-48.11	332.34	1.17	-46.94
CCC(F)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039224	0	38	-1.0	-48.75	328.42	0.48	-48.27
O=C(CCCF)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039225	0	38	-1.0	-50.85	328.58	0.64	-50.21
C[C@H]1C[C@@H]1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039226	0	39	-1.0	-48.31	332.49	1.12	-47.19
NC(=O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039227	0	33	-1.0	-47.48	295.84	-4.94	-52.42
CC(C)(C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039228	0	41	-1.0	-48.01	338.95	0.97	-47.04
C=CCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039229	0	36	-1.0	-48.58	313.41	0.28	-48.30
C[NH+](C)CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039230	0	41	0.0	-70.86	336.08	0.45	-70.41
CN(C)CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039230	1	40	-1.0	-48.65	334.00	-1.93	-50.58
C=CC(O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039231	0	37	-1.0	-49.13	321.85	-1.69	-50.82
O=C(NCC1CC(NC(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005039232	0	37	-1.0	-48.92	318.00	-1.80	-50.72
CO[C@H](C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039233	0	39	-1.0	-51.31	333.04	-0.21	-51.52
CCC=CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039234	0	39	-1.0	-48.20	335.15	1.10	-47.10
O=C(CO)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039236	0	33	-1.0	-53.17	290.96	-3.19	-56.36
CC(O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039237	0	36	-1.0	-52.68	310.83	-2.39	-55.07
O=C(NCC1CC(NC(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005039238	0	36	-1.0	-47.21	317.82	0.59	-46.62
O=C(CCF)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039239	0	35	-1.0	-47.80	307.09	-0.13	-47.93
O=C(C=CCF)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039240	0	36	-1.0	-50.16	320.25	0.46	-49.70
C#CCCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039241	0	37	-1.0	-48.41	327.77	1.02	-47.39
O=C(NCC1CC(NC(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005039242	0	37	-1.0	-52.75	319.48	-0.79	-53.54
CC(C)(O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039243	0	39	-1.0	-46.84	330.97	-2.84	-49.68
CC1=CC1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039244	0	37	-1.0	-49.08	326.03	1.21	-47.87
C[C@@H](O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039245	0	36	-1.0	-49.58	311.44	-2.46	-52.04
O=C(C=CCO)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039246	0	37	-1.0	-51.57	325.17	-3.02	-54.59
O=C(NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005039247	0	37	-1.0	-49.06	321.53	1.09	-47.97
CON=CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039248	0	36	-1.0	-51.29	322.95	-1.69	-52.98
O=C(NCC1CC(NC(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005039249	0	36	-1.0	-46.59	317.16	0.53	-46.06
CC=C(F)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039250	0	36	-1.0	-46.14	319.04	0.42	-45.72
CC(CO)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039251	0	39	-1.0	-48.27	330.63	-2.89	-51.16
C[C@H](O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039252	0	36	-1.0	-49.05	311.38	-2.41	-51.46
C=C1CC1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039253	0	37	-1.0	-48.35	324.57	1.07	-47.28
CC(CF)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039254	0	38	-1.0	-47.21	326.02	0.53	-46.68
C=C(C)CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039255	0	39	-1.0	-48.38	334.76	0.92	-47.46
CC=CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039256	0	36	-1.0	-48.47	314.07	0.34	-48.13
C[C@@H]1C[C@H]1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039257	0	39	-1.0	-48.11	332.34	1.17	-46.94
O=C(NCC1CC(NC(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005039258	0	37	-1.0	-48.43	319.42	-2.61	-51.04
O=C(CC1CC1)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039259	0	39	-1.0	-47.18	331.39	1.28	-45.90
CC(C)(F)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039260	0	38	-1.0	-46.45	326.18	0.46	-45.99
COCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039261	0	36	-1.0	-50.06	313.23	-0.90	-50.96
CCCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039262	0	38	-1.0	-46.92	322.01	0.51	-46.41
CC(C)CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039263	0	41	-1.0	-46.46	338.74	1.09	-45.37
CC1CC1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039264	0	39	-1.0	-46.31	326.94	1.23	-45.08
CCOCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039265	0	39	-1.0	-50.10	335.09	0.06	-50.04
CC(C)=CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039266	0	39	-1.0	-46.49	329.98	1.06	-45.43
CSCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039267	0	36	-1.0	-49.12	323.58	0.17	-48.95
CCCCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039268	0	41	-1.0	-46.90	343.51	1.29	-45.61
CC(C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039269	0	38	-1.0	-46.75	320.06	0.41	-46.34
CCC(C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039270	0	41	-1.0	-46.65	338.18	1.06	-45.59
COC(C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039271	0	39	-1.0	-49.79	333.02	-0.19	-49.98
C=CCCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039272	0	39	-1.0	-46.88	334.82	1.07	-45.81
CC(C#N)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039273	0	36	-1.0	-53.26	319.49	0.04	-53.22
CC=C(C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039274	0	39	-1.0	-47.27	328.82	1.02	-46.25
CCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039275	0	35	-1.0	-47.11	300.51	-0.26	-47.37
COCCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039276	0	39	-1.0	-47.16	334.19	-1.19	-48.35
CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039277	0	32	-1.0	-47.51	280.19	-1.08	-48.59
O=C(NC1CC(CNC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005039278	0	36	-1.0	-48.54	311.10	0.47	-48.07
O=C(NC1CC(CNC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005039279	0	39	-1.0	-46.78	327.22	1.01	-45.77
NC(=O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039280	0	33	-1.0	-47.79	295.86	-4.93	-52.72
CC(C)(C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039281	0	41	-1.0	-46.60	338.94	0.97	-45.63
CC1(C(=O)NCC2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005039282	0	39	-1.0	-46.76	328.78	1.11	-45.65
C[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039283	0	39	-1.0	-48.48	332.48	1.14	-47.34
CCC(F)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039284	0	38	-1.0	-47.82	328.29	0.54	-47.28
O=C(CCCF)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039285	0	38	-1.0	-49.29	328.60	0.65	-48.64
C[C@H]1C[C@@H]1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039286	0	39	-1.0	-46.91	332.34	1.18	-45.73
O=C(CO)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039287	0	33	-1.0	-51.60	290.98	-3.18	-54.78
O=C(NC1CC(CNC(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005039288	0	37	-1.0	-50.83	319.34	-0.72	-51.55
O=C(NC1CC(CNC(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005039289	0	37	-1.0	-47.76	317.81	-1.75	-49.51
O=C(C=CCO)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039290	0	37	-1.0	-50.30	325.19	-3.01	-53.31
CCC=CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039291	0	39	-1.0	-47.06	335.17	1.11	-45.95
C#CCCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039292	0	37	-1.0	-47.28	327.79	1.02	-46.26
C=CC(O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039293	0	37	-1.0	-47.53	324.52	-1.85	-49.38
CC(O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039294	0	36	-1.0	-51.07	311.65	-2.41	-53.48
CC(=O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039295	0	34	-1.0	-46.49	302.77	-1.12	-47.61
O=C(NC1CC(CNC(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005039296	0	36	-1.0	-46.43	317.22	0.52	-45.91
CC=C(F)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039297	0	36	-1.0	-45.79	319.06	0.42	-45.37
CC(CO)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039298	0	39	-1.0	-47.30	330.64	-2.87	-50.17
O=C(NC1CC(CNC(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005039299	0	37	-1.0	-48.16	319.47	-2.61	-50.77
O=C(NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005039300	0	37	-1.0	-47.82	321.47	1.09	-46.73
CC(CF)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039301	0	38	-1.0	-46.13	326.04	0.55	-45.58
CC=CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039302	0	36	-1.0	-47.29	314.09	0.35	-46.94
O=C(C=CCF)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039303	0	36	-1.0	-48.97	320.27	0.47	-48.50
C[C@H](O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039305	0	36	-1.0	-47.96	311.27	-2.40	-50.36
CON=CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039306	0	36	-1.0	-50.02	322.97	-1.68	-51.70
C[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039307	0	39	-1.0	-48.48	332.48	1.14	-47.34
CC(C)(O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039308	0	39	-1.0	-50.89	330.05	-1.70	-52.59
C=C(C)CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039309	0	39	-1.0	-47.07	334.77	0.93	-46.14
C=CCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039310	0	36	-1.0	-47.28	313.42	0.28	-47.00
C[NH+](C)CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039311	0	41	0.0	-69.14	336.10	0.46	-68.68
CN(C)CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039311	1	40	-1.0	-47.46	334.01	-1.93	-49.39
N#CCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039312	0	33	-1.0	-55.17	299.97	-0.59	-55.76
O=C(NC1CC(CNC(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005039313	0	36	-1.0	-46.71	317.83	0.60	-46.11
O=C(CCF)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039314	0	35	-1.0	-46.66	307.10	-0.12	-46.78
CO[C@H](C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039315	0	39	-1.0	-49.73	333.02	-0.20	-49.93
C[C@@H](O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039316	0	36	-1.0	-47.91	311.30	-2.40	-50.31
C=C1CC1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039317	0	37	-1.0	-47.25	324.59	1.08	-46.17
CC1=CC1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039318	0	37	-1.0	-47.87	326.06	1.22	-46.65
C=CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039319	0	33	-1.0	-47.49	292.36	-0.54	-48.03
CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039320	0	34	-1.0	-47.70	283.47	-0.65	-48.35
COCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039321	0	38	-1.0	-46.21	324.84	-1.21	-47.42
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC1	REAL250005039322	0	35	-1.0	-46.20	301.69	0.48	-45.72
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCC1	REAL250005039323	0	38	-1.0	-47.23	310.20	0.64	-46.59
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCCC1	REAL250005039324	0	41	-1.0	-45.93	334.21	1.61	-44.32
CC(NC(=O)CC1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039325	0	38	-1.0	-47.83	314.40	0.89	-46.94
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(C)F	REAL250005039326	0	37	-1.0	-45.11	316.84	0.45	-44.66
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(F)F	REAL250005039327	0	34	-1.0	-43.35	303.03	-0.09	-43.44
COCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039328	0	35	-1.0	-49.46	303.89	-0.91	-50.37
CCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039329	0	37	-1.0	-46.33	312.67	0.49	-45.84
CC(NC(=O)C1=CC=CO1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039330	0	35	-1.0	-46.62	310.78	0.04	-46.58
CC(=O)NCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039331	0	38	-1.0	-49.07	322.15	-2.96	-52.03
CC(C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039332	0	40	-1.0	-47.09	321.69	0.71	-46.38
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC1C	REAL250005039333	0	38	-1.0	-46.07	323.07	1.16	-44.91
CCOCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039334	0	38	-1.0	-49.45	325.74	0.05	-49.40
CC(C)=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039335	0	38	-1.0	-45.56	320.64	1.05	-44.51
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCCO1	REAL250005039336	0	39	-1.0	-49.72	327.20	0.28	-49.44
CSCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039337	0	35	-1.0	-49.93	306.53	-0.22	-50.15
CC(C)CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039338	0	43	-1.0	-46.28	351.73	1.77	-44.51
CC(NC(=O)C1=CC=CN1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039339	0	36	-1.0	-48.60	313.67	-0.19	-48.79
CC(NC(=O)C1=COC=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039340	0	35	-1.0	-49.46	309.95	0.01	-49.45
CCCCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039341	0	43	-1.0	-47.54	347.96	1.68	-45.86
CC(NC(=O)CC(C)(C)C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039342	0	43	-1.0	-45.15	344.36	1.61	-43.54
CCCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039343	0	40	-1.0	-47.58	326.47	0.90	-46.68
CC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039344	0	37	-1.0	-46.06	310.72	0.40	-45.66
CCC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039345	0	40	-1.0	-45.95	328.84	1.04	-44.91
CCC(CC)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039346	0	43	-1.0	-45.78	344.98	1.51	-44.27
CC(NC(=O)C1=CC=NN1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039347	0	35	-1.0	-47.96	300.67	-1.86	-49.82
CCOC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039348	0	41	-1.0	-49.11	345.53	0.75	-48.36
CC(NC(=O)C1=CNN=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039349	0	35	-1.0	-49.43	300.96	-1.90	-51.33
COCCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039350	0	41	-1.0	-50.26	338.64	-0.81	-51.07
CC(NC(=O)C1=NOC=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039351	0	34	-1.0	-47.26	305.26	-0.72	-47.98
CCC=C(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039352	0	41	-1.0	-46.07	339.86	1.81	-44.26
COC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039353	0	38	-1.0	-49.11	323.68	-0.21	-49.32
CC(C)OCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039354	0	41	-1.0	-50.60	338.32	0.41	-50.19
CCCOCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039355	0	41	-1.0	-49.25	347.24	0.85	-48.40
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCOC1	REAL250005039356	0	39	-1.0	-48.50	324.88	-0.93	-49.43
CCC(OC)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039357	0	41	-1.0	-47.87	344.89	0.62	-47.25
COC(C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039358	0	41	-1.0	-49.12	336.28	-0.06	-49.18
C=CCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039359	0	38	-1.0	-46.27	325.48	1.05	-45.22
CCOCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039360	0	41	-1.0	-46.11	346.70	-0.24	-46.35
COCC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039361	0	41	-1.0	-45.64	343.55	-0.49	-46.13
C=CCOCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039362	0	39	-1.0	-49.76	338.65	0.62	-49.14
CC(NC(=O)C1=COC=N1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039363	0	34	-1.0	-47.35	305.57	-3.37	-50.72
CCCC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039364	0	43	-1.0	-46.01	350.34	1.80	-44.21
CC(NC(=O)CCC1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039365	0	41	-1.0	-47.60	336.59	1.68	-45.92
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC=CC1	REAL250005039366	0	39	-1.0	-45.97	326.71	1.50	-44.47
CC(NC(=O)CC1CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039367	0	41	-1.0	-47.70	331.37	1.41	-46.29
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)C1CC1	REAL250005039368	0	41	-1.0	-47.49	332.32	1.46	-46.03
CC=C(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039369	0	38	-1.0	-46.28	319.48	1.03	-45.25
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC(C)C1	REAL250005039370	0	41	-1.0	-47.59	330.62	1.26	-46.33
CC(NC(=O)C=C1CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039371	0	39	-1.0	-47.72	322.63	1.36	-46.36
CC(C)=C(F)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039372	0	38	-1.0	-43.50	325.38	1.11	-42.39
CC(NC(=O)C1=CCCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039373	0	39	-1.0	-47.34	320.05	1.23	-46.11
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC1(C)C	REAL250005039374	0	41	-1.0	-45.50	338.29	1.71	-43.79
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H]1CC1(C)C	REAL250005039375	0	41	-1.0	-45.41	338.30	1.70	-43.71
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1CCCO1	REAL250005039376	0	39	-1.0	-50.83	319.60	-0.06	-50.89
CCC(C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039377	0	43	-1.0	-45.92	347.63	1.75	-44.17
C#CCCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039378	0	39	-1.0	-50.39	332.25	1.42	-48.97
CC(NC(=O)CC(C)(C)O)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039379	0	41	-1.0	-50.37	330.46	-1.57	-51.94
CC(C)[C@@H](O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039380	0	41	-1.0	-45.76	337.16	-1.79	-47.55
CCC(C)=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039381	0	41	-1.0	-45.26	342.32	1.80	-43.46
CC(C)C#CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039382	0	39	-1.0	-46.34	340.56	1.77	-44.57
CC(NC(=O)C#CC1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039383	0	37	-1.0	-47.80	322.54	1.56	-46.24
C=C(C)CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039384	0	41	-1.0	-45.98	346.83	1.70	-44.28
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(C)CC1	REAL250005039385	0	38	-1.0	-45.92	319.44	1.08	-44.84
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H]1CCCO1	REAL250005039386	0	39	-1.0	-51.35	319.88	-0.08	-51.43
CC(NC(=O)C1=NNN=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039387	0	34	-1.0	-45.66	304.08	-2.93	-48.59
CC(NC(=O)C1=CN=NN1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039387	1	34	-1.0	-48.68	295.47	-3.24	-51.92
CC(NC(=O)CC1(C)CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039388	0	41	-1.0	-47.28	334.40	1.41	-45.87
CC(NC(=O)C1=CN=CO1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039389	0	34	-1.0	-47.39	305.57	-3.26	-50.65
C=CC(C)(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039390	0	41	-1.0	-46.05	338.36	1.36	-44.69
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1C[C@H]1C	REAL250005039391	0	38	-1.0	-47.34	315.37	0.79	-46.55
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(C)CCC1	REAL250005039392	0	41	-1.0	-47.22	327.87	1.19	-46.03
CCC(F)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039393	0	37	-1.0	-46.95	318.94	0.53	-46.42
CC(NC(=O)CCCF)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039394	0	37	-1.0	-50.33	311.56	0.26	-50.07
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H]1C[C@@H]1C	REAL250005039395	0	38	-1.0	-47.33	315.36	0.79	-46.54
C=CCCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039396	0	41	-1.0	-47.99	339.28	1.46	-46.53
CCC(C)(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039397	0	43	-1.0	-45.96	343.83	1.46	-44.50
CC(NC(=O)C(N)=O)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039398	0	32	-1.0	-45.18	286.51	-4.93	-50.11
CC(NC(=O)CC1CC1C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039399	0	41	-1.0	-47.80	335.79	1.58	-46.22
CCC1(C(=O)NC(C)C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039400	0	41	-1.0	-46.03	344.07	1.67	-44.36
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(CF)CC1	REAL250005039401	0	38	-1.0	-46.30	316.46	0.83	-45.47
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(C)C	REAL250005039402	0	40	-1.0	-45.87	329.61	0.96	-44.91
CC(C)C(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039403	0	43	-1.0	-45.41	344.74	1.61	-43.80
CC[C@@H]1C[C@H]1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039404	0	41	-1.0	-46.05	344.46	1.93	-44.12
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC12CC2	REAL250005039405	0	39	-1.0	-47.69	326.43	1.59	-46.10
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1CC(=O)N1	REAL250005039406	0	36	-1.0	-53.86	316.13	-3.58	-57.44
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H]1CC(=O)N1	REAL250005039407	0	36	-1.0	-54.41	315.64	-3.92	-58.33
COC1(C(=O)NC(C)C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039408	0	39	-1.0	-45.83	324.50	-0.82	-46.65
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CSC1	REAL250005039409	0	36	-1.0	-47.55	310.07	0.28	-47.27
C=CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039410	0	35	-1.0	-47.78	296.38	-0.11	-47.89
CC(NC(=O)C[NH+](C)C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039411	0	40	0.0	-71.18	319.06	0.08	-71.10
CC(NC(=O)CN(C)C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039411	1	39	-1.0	-46.80	324.67	-1.94	-48.74
C=CC(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039412	0	36	-1.0	-46.68	312.52	-1.70	-48.38
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1COC1	REAL250005039413	0	36	-1.0	-48.10	300.83	-2.14	-50.24
CO[C@H](C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039414	0	38	-1.0	-49.11	323.68	-0.21	-49.32
CC=CC(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039415	0	39	-1.0	-46.44	334.23	-0.85	-47.29
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL250005039416	0	43	0.0	-68.56	344.86	0.85	-67.71
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)N(C)C	REAL250005039416	1	42	-1.0	-46.57	337.13	-1.50	-48.07
CCC=C(F)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039417	0	38	-1.0	-43.69	330.02	1.15	-42.54
CCC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039418	0	38	-1.0	-46.25	325.83	1.11	-45.14
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(C)CO	REAL250005039420	0	41	-1.0	-45.84	338.96	-2.24	-48.08
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(F)CCC1	REAL250005039421	0	38	-1.0	-44.16	324.28	1.03	-43.13
CC(NC(=O)CO)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039422	0	32	-1.0	-52.38	273.94	-3.56	-55.94
CC(NC(=O)C=CC(N)=O)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039423	0	36	-1.0	-48.89	321.13	-3.63	-52.52
CC(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039424	0	35	-1.0	-47.25	301.97	-2.42	-49.67
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(O)CCC1	REAL250005039425	0	39	-1.0	-47.64	318.29	-2.41	-50.05
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(O)C1CC1	REAL250005039426	0	39	-1.0	-46.26	333.96	-0.87	-47.13
C=CCC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039427	0	41	-1.0	-45.87	343.35	1.63	-44.24
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC1F	REAL250005039428	0	35	-1.0	-51.56	300.19	0.19	-51.37
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL250005039429	0	43	0.0	-68.56	344.86	0.85	-67.71
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)N(C)C	REAL250005039429	1	42	-1.0	-46.57	337.13	-1.50	-48.07
CC(NC(=O)CCF)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039430	0	34	-1.0	-45.91	297.76	-0.14	-46.05
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(O)COC1	REAL250005039431	0	37	-1.0	-47.17	316.77	-4.30	-51.47
CC(C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005039432	0	39	-1.0	-48.09	326.24	1.61	-46.48
CCC1CC1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039433	0	41	-1.0	-46.88	331.30	1.57	-45.31
CC(NC(=O)CC1(O)CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039434	0	39	-1.0	-51.49	325.05	-2.59	-54.08
CC(NC(=O)C=CCF)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039435	0	35	-1.0	-48.36	310.92	0.47	-47.89
C#CCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039436	0	36	-1.0	-46.56	318.45	1.00	-45.56
CC(NC(=O)CN1CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039437	0	40	-1.0	-49.21	324.84	-2.72	-51.93
CC(NC(=O)C[NH+]1CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039437	1	41	0.0	-71.06	329.15	0.49	-70.57
C#C[C@H]1C[C@H]1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039438	0	37	-1.0	-49.01	324.55	1.65	-47.36
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1C2CCC21	REAL250005039439	0	39	-1.0	-47.51	316.68	1.46	-46.05
C=C1CCC1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039440	0	39	-1.0	-45.86	331.44	1.50	-44.36
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005039441	0	41	-1.0	-45.06	331.85	1.67	-43.39
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H](C)[NH+](C)C	REAL250005039442	0	43	0.0	-68.89	344.89	0.87	-68.02
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H](C)N(C)C	REAL250005039442	1	42	-1.0	-46.31	336.37	-1.58	-47.89
CC=CC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039443	0	39	-1.0	-46.33	339.90	1.76	-44.57
COCC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039444	0	39	-1.0	-48.34	338.10	-0.61	-48.95
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(C)COC1	REAL250005039445	0	39	-1.0	-46.33	326.86	-1.16	-47.49
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCO1	REAL250005039446	0	36	-1.0	-51.71	302.36	-1.12	-52.83
CC(NC(=O)CCN=[N+]=[N-])C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039447	0	36	-1.0	-45.98	321.31	-3.66	-49.64
C#CCOCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039448	0	37	-1.0	-52.24	331.53	0.58	-51.66
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(C)O	REAL250005039449	0	38	-1.0	-44.86	321.65	-2.86	-47.72
CC1=CC1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039450	0	36	-1.0	-46.80	316.74	1.19	-45.61
CC(NC(=O)C(=O)N(C)C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039451	0	38	-1.0	-45.14	323.90	-1.43	-46.57
CSC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039452	0	36	-1.0	-45.84	326.79	0.66	-45.18
CCC(C)(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039453	0	41	-1.0	-44.98	338.27	-2.19	-47.17
CC[N@H+](C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039454	0	43	0.0	-70.49	336.79	0.75	-69.74
CC[N@@H+](C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039454	1	43	0.0	-70.26	344.49	1.11	-69.15
CCN(C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039454	1	42	-1.0	-46.70	342.64	-1.15	-47.85
C=C1CC(C(=O)NC(C)C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039455	0	39	-1.0	-45.86	331.42	1.52	-44.34
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCC1F	REAL250005039456	0	38	-1.0	-47.27	324.54	1.10	-46.17
CC(NC(=O)C1=CN=CN1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039457	0	35	-1.0	-51.30	300.79	-0.80	-52.10
CC(NC(=O)C1=CCCO1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039458	0	37	-1.0	-45.45	319.28	-0.38	-45.83
CCC[C@H](O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039459	0	41	-1.0	-46.62	343.96	-0.81	-47.43
CC(C)[C@H](O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039460	0	41	-1.0	-45.37	336.90	-1.77	-47.14
CCOC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039461	0	39	-1.0	-45.95	337.81	-0.02	-45.97
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H](C)O	REAL250005039462	0	35	-1.0	-51.86	294.60	-2.80	-54.66
CC(NC(=O)C=CCO)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039463	0	36	-1.0	-49.62	315.84	-3.01	-52.63
COC(C)(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039464	0	41	-1.0	-49.25	335.62	0.28	-48.97
CC(NC(=O)CCCCO)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039465	0	41	-1.0	-48.87	337.89	-2.43	-51.30
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(CO)CC1	REAL250005039466	0	39	-1.0	-50.95	326.34	-2.70	-53.65
COC(F)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039467	0	35	-1.0	-49.18	309.79	-1.43	-50.61
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C12CC1CC2	REAL250005039468	0	39	-1.0	-47.56	322.44	1.33	-46.23
C=C[C@H](C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039469	0	41	-1.0	-45.81	342.18	1.61	-44.20
CC(NC(=O)C=CC1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039470	0	39	-1.0	-47.36	329.02	1.56	-45.80
CC=C(CC)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039471	0	41	-1.0	-45.95	340.52	1.74	-44.21
C=CC(C)(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039472	0	39	-1.0	-45.23	331.83	-2.12	-47.35
CC(NC(=O)C1=CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039473	0	36	-1.0	-46.72	312.17	1.08	-45.64
CON=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039474	0	35	-1.0	-48.78	313.63	-1.69	-50.47
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(F)CC1	REAL250005039475	0	35	-1.0	-44.73	300.05	0.20	-44.53
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1=NOCC1	REAL250005039476	0	36	-1.0	-45.74	307.52	-1.78	-47.52
C#CC(C)(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039477	0	39	-1.0	-48.31	335.42	1.40	-46.91
CC(NC(=O)COC1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039478	0	39	-1.0	-51.62	328.41	0.46	-51.16
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1=NC=CN1	REAL250005039479	0	35	-1.0	-47.31	309.62	-1.23	-48.54
CCCC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039480	0	41	-1.0	-46.08	347.33	1.89	-44.19
CC=C(F)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039481	0	35	-1.0	-43.96	309.71	0.42	-43.54
CCC(CO)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039482	0	41	-1.0	-46.28	338.68	-2.17	-48.45
CC(CO)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039483	0	38	-1.0	-46.11	321.30	-2.89	-49.00
CC(NC(=O)C1=CON=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039484	0	34	-1.0	-46.96	304.89	-0.54	-47.50
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1C[C@H]1CF	REAL250005039485	0	38	-1.0	-49.17	322.01	0.93	-48.24
C#CC1(C(=O)NC(C)C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039486	0	37	-1.0	-46.33	319.68	1.20	-45.13
CC(NC(=O)C1=COCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039487	0	37	-1.0	-46.60	317.86	-0.42	-47.02
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)O	REAL250005039488	0	35	-1.0	-51.84	294.61	-2.80	-54.64
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1C=CCC1	REAL250005039489	0	39	-1.0	-46.95	319.03	1.15	-45.80
CC(O)C(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039490	0	41	-1.0	-49.07	335.48	-1.20	-50.27
C=C1CC1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039491	0	36	-1.0	-47.32	307.56	0.69	-46.63
CC(CF)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039492	0	37	-1.0	-45.21	316.51	0.52	-44.69
C=C(C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039493	0	38	-1.0	-47.56	317.99	0.55	-47.01
CC(C)=C(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039494	0	41	-1.0	-45.50	334.56	1.73	-43.77
CCCC(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039495	0	41	-1.0	-46.62	343.96	-0.81	-47.43
CCC(O)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039496	0	41	-1.0	-49.70	343.34	-1.14	-50.84
CC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039497	0	35	-1.0	-46.36	304.74	0.35	-46.01
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(C)CC1F	REAL250005039498	0	38	-1.0	-51.28	316.43	0.84	-50.44
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005039499	0	39	-1.0	-51.33	321.61	-2.78	-54.11
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1C[C@H]1C	REAL250005039500	0	38	-1.0	-47.34	315.37	0.79	-46.55
CNC(=O)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039501	0	38	-1.0	-59.32	319.56	-1.62	-60.94
C=CC=CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039502	0	39	-1.0	-48.29	331.63	1.32	-46.97
CC(NC(=O)CCC(N)=O)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039503	0	38	-1.0	-48.68	328.85	-3.45	-52.13
CC(O)CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039504	0	41	-1.0	-46.51	344.47	-2.02	-48.53
C#CCC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039505	0	39	-1.0	-46.04	336.32	1.58	-44.46
CC(CCO)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039506	0	41	-1.0	-49.70	340.26	-2.31	-52.01
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](O)CF	REAL250005039507	0	35	-1.0	-47.99	308.28	-2.26	-50.25
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(O)CC1	REAL250005039508	0	36	-1.0	-46.68	302.31	-2.94	-49.62
CC(NC(=O)CC1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039509	0	38	-1.0	-47.83	314.40	0.89	-46.94
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(C)F	REAL250005039510	0	37	-1.0	-45.11	316.84	0.45	-44.66
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(F)F	REAL250005039511	0	34	-1.0	-43.35	303.03	-0.09	-43.44
COCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039512	0	35	-1.0	-49.46	303.89	-0.91	-50.37
CCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039513	0	37	-1.0	-46.33	312.67	0.49	-45.84
CC(NC(=O)C1=CC=CO1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039514	0	35	-1.0	-46.62	310.78	0.04	-46.58
CC(=O)NCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039515	0	38	-1.0	-49.07	322.15	-2.96	-52.03
CC(C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039516	0	40	-1.0	-47.09	321.69	0.71	-46.38
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC1C	REAL250005039517	0	38	-1.0	-46.07	323.07	1.16	-44.91
CCOCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039518	0	38	-1.0	-49.45	325.74	0.05	-49.40
CC(C)=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039519	0	38	-1.0	-45.56	320.64	1.05	-44.51
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCCO1	REAL250005039520	0	39	-1.0	-49.72	327.20	0.28	-49.44
CSCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039521	0	35	-1.0	-49.93	306.53	-0.22	-50.15
CC(C)CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039522	0	43	-1.0	-46.28	351.73	1.77	-44.51
CC(NC(=O)C1=CC=CN1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039523	0	36	-1.0	-48.60	313.67	-0.19	-48.79
CC(NC(=O)C1=COC=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039524	0	35	-1.0	-49.46	309.95	0.01	-49.45
CCCCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039525	0	43	-1.0	-47.54	347.96	1.68	-45.86
CC(NC(=O)CC(C)(C)C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039526	0	43	-1.0	-45.15	344.36	1.61	-43.54
CCCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039527	0	40	-1.0	-47.58	326.47	0.90	-46.68
CC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039528	0	37	-1.0	-46.06	310.72	0.40	-45.66
CCC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039529	0	40	-1.0	-45.95	328.84	1.04	-44.91
CCC(CC)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039530	0	43	-1.0	-45.78	344.98	1.51	-44.27
CC(NC(=O)C1=CC=NN1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039531	0	35	-1.0	-47.96	300.67	-1.86	-49.82
CCOC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039532	0	41	-1.0	-49.11	345.53	0.75	-48.36
CC(NC(=O)C1=CNN=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039533	0	35	-1.0	-49.43	300.96	-1.90	-51.33
COCCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039534	0	41	-1.0	-50.26	338.64	-0.81	-51.07
CC(NC(=O)C1=NOC=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039535	0	34	-1.0	-47.26	305.26	-0.72	-47.98
CCC=C(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039536	0	41	-1.0	-46.07	339.86	1.81	-44.26
COC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039537	0	38	-1.0	-49.11	323.68	-0.21	-49.32
CC(C)OCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039538	0	41	-1.0	-50.60	338.32	0.41	-50.19
CCCOCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039539	0	41	-1.0	-49.25	347.24	0.85	-48.40
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCOC1	REAL250005039540	0	39	-1.0	-48.50	324.88	-0.93	-49.43
CCC(OC)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039541	0	41	-1.0	-47.87	344.89	0.62	-47.25
COC(C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039542	0	41	-1.0	-49.12	336.28	-0.06	-49.18
C=CCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039543	0	38	-1.0	-46.27	325.48	1.05	-45.22
CCOCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039544	0	41	-1.0	-46.11	346.70	-0.24	-46.35
COCC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039545	0	41	-1.0	-45.64	343.55	-0.49	-46.13
C=CCOCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039546	0	39	-1.0	-49.76	338.65	0.62	-49.14
CC(NC(=O)C1=COC=N1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039547	0	34	-1.0	-47.35	305.57	-3.37	-50.72
CC(C#N)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039548	0	35	-1.0	-53.35	310.15	0.02	-53.33
CCCC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039549	0	43	-1.0	-46.01	350.34	1.80	-44.21
CC(NC(=O)CCC1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039550	0	41	-1.0	-47.60	336.59	1.68	-45.92
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC=CC1	REAL250005039551	0	39	-1.0	-45.97	326.71	1.50	-44.47
CC(NC(=O)CC1CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039552	0	41	-1.0	-47.70	331.37	1.41	-46.29
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)C1CC1	REAL250005039553	0	41	-1.0	-47.49	332.32	1.46	-46.03
CC=C(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039554	0	38	-1.0	-46.28	319.48	1.03	-45.25
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC(C)C1	REAL250005039555	0	41	-1.0	-47.59	330.62	1.26	-46.33
CC(NC(=O)C=C1CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039556	0	39	-1.0	-47.72	322.63	1.36	-46.36
CC(C)=C(F)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039557	0	38	-1.0	-43.50	325.38	1.11	-42.39
CC(NC(=O)C1=CCCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039558	0	39	-1.0	-47.34	320.05	1.23	-46.11
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC1(C)C	REAL250005039559	0	41	-1.0	-45.50	338.29	1.71	-43.79
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H]1CC1(C)C	REAL250005039560	0	41	-1.0	-45.41	338.30	1.70	-43.71
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1CCCO1	REAL250005039561	0	39	-1.0	-50.83	319.60	-0.06	-50.89
CCC(C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039562	0	43	-1.0	-45.92	347.63	1.75	-44.17
C#CCCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039563	0	39	-1.0	-50.39	332.25	1.42	-48.97
CC(NC(=O)CC(C)(C)O)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039564	0	41	-1.0	-50.37	330.46	-1.57	-51.94
CC(C)[C@@H](O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039565	0	41	-1.0	-45.76	337.16	-1.79	-47.55
CCC(C)=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039566	0	41	-1.0	-45.26	342.32	1.80	-43.46
CC(C)C#CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039567	0	39	-1.0	-46.34	340.56	1.77	-44.57
CC(NC(=O)C#CC1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039568	0	37	-1.0	-47.80	322.54	1.56	-46.24
CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039569	0	34	-1.0	-47.70	283.47	-0.65	-48.35
COCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039570	0	38	-1.0	-46.21	324.84	-1.21	-47.42
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC1	REAL250005039571	0	35	-1.0	-46.20	301.69	0.48	-45.72
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCC1	REAL250005039572	0	38	-1.0	-47.23	310.20	0.64	-46.59
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCCC1	REAL250005039573	0	41	-1.0	-45.93	334.21	1.61	-44.32
C=CCCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039574	0	41	-1.0	-47.99	339.28	1.46	-46.53
CCC(C)(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039575	0	43	-1.0	-45.96	343.83	1.46	-44.50
CC(NC(=O)C(N)=O)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039576	0	32	-1.0	-45.18	286.51	-4.93	-50.11
CC(NC(=O)CC1CC1C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039577	0	41	-1.0	-47.80	335.79	1.58	-46.22
CCC1(C(=O)NC(C)C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039578	0	41	-1.0	-46.03	344.07	1.67	-44.36
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(C)C	REAL250005039579	0	40	-1.0	-45.87	329.61	0.96	-44.91
C=C(C)CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039580	0	41	-1.0	-45.98	346.83	1.70	-44.28
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(CF)CC1	REAL250005039581	0	38	-1.0	-46.30	316.46	0.83	-45.47
CC(C)C(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039582	0	43	-1.0	-45.41	344.74	1.61	-43.80
CC[C@@H]1C[C@H]1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039583	0	41	-1.0	-46.05	344.46	1.93	-44.12
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC12CC2	REAL250005039584	0	39	-1.0	-47.69	326.43	1.59	-46.10
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H]1CCCO1	REAL250005039585	0	39	-1.0	-51.35	319.88	-0.08	-51.43
CC(NC(=O)CC1(C)CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039586	0	41	-1.0	-47.28	334.40	1.41	-45.87
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(C)CC1	REAL250005039587	0	38	-1.0	-45.92	319.44	1.08	-44.84
CC(NC(=O)C1=CNC=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039588	0	36	-1.0	-51.49	313.80	-0.11	-51.60
CC(NC(=O)C1=CN=CO1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039589	0	34	-1.0	-47.39	305.57	-3.26	-50.65
C=CC(C)(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039590	0	41	-1.0	-46.05	338.36	1.36	-44.69
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1C[C@H]1C	REAL250005039591	0	38	-1.0	-47.34	315.37	0.79	-46.55
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(C)CCC1	REAL250005039592	0	41	-1.0	-47.22	327.87	1.19	-46.03
CCC(F)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039593	0	37	-1.0	-46.95	318.94	0.53	-46.42
CC(NC(=O)CCCF)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039594	0	37	-1.0	-50.33	311.56	0.26	-50.07
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H]1C[C@@H]1C	REAL250005039595	0	38	-1.0	-47.33	315.36	0.79	-46.54
CC(NC(=O)C1=NNN=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039596	0	34	-1.0	-45.66	304.08	-2.93	-48.59
CC(NC(=O)C1=CN=NN1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039596	1	34	-1.0	-48.68	295.47	-3.24	-51.92
CC(NC(=O)CO)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039597	0	32	-1.0	-52.38	273.94	-3.56	-55.94
CC(NC(=O)C=CC(N)=O)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039598	0	36	-1.0	-48.89	321.13	-3.63	-52.52
COC(=O)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039599	0	37	-1.0	-55.41	315.42	0.31	-55.10
CSC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039600	0	36	-1.0	-45.84	326.79	0.66	-45.18
CC(NC(=O)CCC(N)=O)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039601	0	38	-1.0	-48.68	328.85	-3.45	-52.13
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCO1	REAL250005039602	0	36	-1.0	-51.71	302.36	-1.12	-52.83
CC(NC(=O)C1=CCCO1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039603	0	37	-1.0	-45.45	319.28	-0.38	-45.83
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1COC1	REAL250005039604	0	36	-1.0	-48.10	300.83	-2.14	-50.24
CC(NC(=O)C=CCO)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039605	0	36	-1.0	-49.62	315.84	-3.01	-52.63
CC=CC(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039606	0	39	-1.0	-46.44	334.23	-0.85	-47.29
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL250005039607	0	43	0.0	-68.56	344.86	0.85	-67.71
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)N(C)C	REAL250005039607	1	42	-1.0	-46.57	337.13	-1.50	-48.07
CCC=C(F)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039608	0	38	-1.0	-43.69	330.02	1.15	-42.54
CCC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039609	0	38	-1.0	-46.25	325.83	1.11	-45.14
CC(NC(=O)CCN=[N+]=[N-])C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039610	0	36	-1.0	-45.98	321.31	-3.66	-49.64
C#CCOCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039611	0	37	-1.0	-52.24	331.53	0.58	-51.66
CC(O)CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039612	0	41	-1.0	-46.51	344.47	-2.02	-48.53
C#CCCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039613	0	36	-1.0	-46.56	318.45	1.00	-45.56
CC=CC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039614	0	39	-1.0	-46.33	339.90	1.76	-44.57
COCC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039615	0	39	-1.0	-48.34	338.10	-0.61	-48.95
CCC(C)(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039616	0	41	-1.0	-44.98	338.27	-2.19	-47.17
C#CCC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039617	0	39	-1.0	-46.04	336.32	1.58	-44.46
C=CC(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039618	0	36	-1.0	-46.68	312.52	-1.70	-48.38
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C12CC1CC2	REAL250005039619	0	39	-1.0	-47.56	322.44	1.33	-46.23
C=C[C@H](C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039620	0	41	-1.0	-45.81	342.18	1.61	-44.20
CC(NC(=O)C=CC1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039621	0	39	-1.0	-47.36	329.02	1.56	-45.80
CCC(C#N)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039622	0	38	-1.0	-47.43	330.77	0.66	-46.77
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1C2CCC21	REAL250005039623	0	39	-1.0	-47.51	316.68	1.46	-46.05
C=C1CCC1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039624	0	39	-1.0	-45.86	331.44	1.50	-44.36
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005039625	0	41	-1.0	-45.06	331.85	1.67	-43.39
CC[N@H+](C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039626	0	43	0.0	-70.49	336.79	0.75	-69.74
CC[N@@H+](C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039626	1	43	0.0	-70.26	344.49	1.11	-69.15
CCN(C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039626	1	42	-1.0	-46.70	342.64	-1.15	-47.85
CC(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039627	0	35	-1.0	-47.25	301.97	-2.42	-49.67
CC(=O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039628	0	33	-1.0	-44.26	293.43	-1.13	-45.39
CC(NC(=O)CCCC#N)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039629	0	38	-1.0	-56.14	325.82	0.64	-55.50
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(C#N)CC1	REAL250005039630	0	36	-1.0	-46.22	313.25	0.38	-45.84
C=C1CC(C(=O)NC(C)C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039631	0	39	-1.0	-45.86	331.42	1.52	-44.34
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(F)CC1	REAL250005039632	0	35	-1.0	-44.73	300.05	0.20	-44.53
COC(C)(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039633	0	41	-1.0	-49.25	335.62	0.28	-48.97
CC(CC#N)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039634	0	38	-1.0	-47.85	329.89	0.76	-47.09
CCC1CC1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039635	0	41	-1.0	-46.88	331.30	1.57	-45.31
C=CC(C)(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039636	0	39	-1.0	-45.23	331.83	-2.12	-47.35
CCCC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039637	0	41	-1.0	-46.08	347.33	1.89	-44.19
CC=C(F)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039638	0	35	-1.0	-43.96	309.71	0.42	-43.54
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H](C)[NH+](C)C	REAL250005039639	0	43	0.0	-68.89	344.89	0.87	-68.02
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H](C)N(C)C	REAL250005039639	1	42	-1.0	-46.31	336.37	-1.58	-47.89
CCOC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039640	0	39	-1.0	-45.95	337.81	-0.02	-45.97
CC(=O)OCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039641	0	37	-1.0	-50.43	319.54	0.30	-50.13
CC(=O)C=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039642	0	37	-1.0	-47.20	328.12	0.21	-46.99
CC(NC(=O)COC1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039643	0	39	-1.0	-51.62	328.41	0.46	-51.16
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1=NC=CN1	REAL250005039644	0	35	-1.0	-47.31	309.62	-1.23	-48.54
CC(CO)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039645	0	38	-1.0	-46.11	321.30	-2.89	-49.00
CC(NC(=O)C1=CON=C1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039646	0	34	-1.0	-46.96	304.89	-0.54	-47.50
CC(NC(=O)CCCCO)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039647	0	41	-1.0	-48.87	337.89	-2.43	-51.30
CC(NC(=O)C(=O)C1CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039648	0	37	-1.0	-43.98	324.50	0.46	-43.52
CC(NC(=O)CC1(O)CC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039649	0	39	-1.0	-51.49	325.05	-2.59	-54.08
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CCC1F	REAL250005039650	0	38	-1.0	-47.27	324.54	1.10	-46.17
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1C[C@H]1CF	REAL250005039651	0	38	-1.0	-49.17	322.01	0.93	-48.24
CCC(CO)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039652	0	41	-1.0	-46.28	338.68	-2.17	-48.45
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1C[C@@H]1C#N	REAL250005039653	0	36	-1.0	-58.36	310.95	0.42	-57.94
CC(NC(=O)C1=COCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039654	0	37	-1.0	-46.60	317.86	-0.42	-47.02
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(O)CC1	REAL250005039655	0	36	-1.0	-46.68	302.31	-2.94	-49.62
CC(NC(=O)C1=CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039656	0	36	-1.0	-46.72	312.17	1.08	-45.64
CC(CF)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039657	0	37	-1.0	-45.21	316.51	0.52	-44.69
CC=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039658	0	35	-1.0	-46.36	304.74	0.35	-46.01
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(C)CC1F	REAL250005039659	0	38	-1.0	-51.28	316.43	0.84	-50.44
CC(NC(=O)C=CCF)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039660	0	35	-1.0	-48.36	310.92	0.47	-47.89
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(CO)CC1	REAL250005039661	0	39	-1.0	-50.95	326.34	-2.70	-53.65
CC(NC(=O)C1=CC=NO1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039662	0	34	-1.0	-45.48	305.27	-0.54	-46.02
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)O	REAL250005039664	0	35	-1.0	-51.84	294.61	-2.80	-54.64
CON=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039665	0	35	-1.0	-48.78	313.63	-1.69	-50.47
CC(C)[C@H](O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039666	0	41	-1.0	-45.37	336.90	-1.77	-47.14
C#CC1(C(=O)NC(C)C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039667	0	37	-1.0	-46.33	319.68	1.20	-45.13
C=CC=CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039668	0	39	-1.0	-48.29	331.63	1.32	-46.97
C#C[C@H]1C[C@H]1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039669	0	37	-1.0	-49.01	324.55	1.65	-47.36
CC=C(CC)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039670	0	41	-1.0	-45.95	340.52	1.74	-44.21
COC(F)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039671	0	35	-1.0	-49.18	309.79	-1.43	-50.61
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1C[C@H]1C#N	REAL250005039672	0	36	-1.0	-49.16	314.99	0.54	-48.62
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005039673	0	39	-1.0	-51.33	321.61	-2.78	-54.11
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(C)CO	REAL250005039674	0	41	-1.0	-45.84	338.96	-2.24	-48.08
C=CCC(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039675	0	41	-1.0	-45.87	343.35	1.63	-44.24
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1C[C@H]1C	REAL250005039676	0	38	-1.0	-47.34	315.37	0.79	-46.55
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(C)O	REAL250005039677	0	38	-1.0	-44.86	321.65	-2.86	-47.72
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1=NOCC1	REAL250005039678	0	36	-1.0	-45.74	307.52	-1.78	-47.52
CC(C#N)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039679	0	38	-1.0	-48.55	321.01	0.39	-48.16
CC(CCO)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039680	0	41	-1.0	-49.70	340.26	-2.31	-52.01
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](O)CF	REAL250005039681	0	35	-1.0	-47.99	308.28	-2.26	-50.25
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(O)CCC1	REAL250005039682	0	39	-1.0	-47.64	318.29	-2.41	-50.05
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(O)C1CC1	REAL250005039683	0	39	-1.0	-46.26	333.96	-0.87	-47.13
C=C(C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039684	0	38	-1.0	-47.56	317.99	0.55	-47.01
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C(C)(C)C#N	REAL250005039685	0	38	-1.0	-52.35	329.00	0.53	-51.82
CC(C)=C(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039686	0	41	-1.0	-45.50	334.56	1.73	-43.77
CNC(=O)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039687	0	38	-1.0	-59.32	319.56	-1.62	-60.94
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC(F)C1	REAL250005039688	0	38	-1.0	-50.20	316.83	0.72	-49.48
C=CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039689	0	35	-1.0	-47.78	296.38	-0.11	-47.89
CC(NC(=O)C[NH+](C)C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039690	0	40	0.0	-71.18	319.06	0.08	-71.10
CC(NC(=O)CN(C)C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039690	1	39	-1.0	-46.80	324.67	-1.94	-48.74
CC(NC(=O)CC#N)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039691	0	32	-1.0	-56.71	282.93	-0.97	-57.68
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC1F	REAL250005039692	0	35	-1.0	-51.56	300.19	0.19	-51.37
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL250005039693	0	43	0.0	-68.56	344.86	0.85	-67.71
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)N(C)C	REAL250005039693	1	42	-1.0	-46.57	337.13	-1.50	-48.07
CC(NC(=O)CCF)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039694	0	34	-1.0	-45.91	297.76	-0.14	-46.05
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1C=CCC1	REAL250005039695	0	39	-1.0	-46.95	319.03	1.15	-45.80
C#CC(C)(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039696	0	39	-1.0	-48.31	335.42	1.40	-46.91
CO[C@H](C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039697	0	38	-1.0	-49.11	323.68	-0.21	-49.32
CC(=O)CCC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039698	0	39	-1.0	-47.03	335.75	0.39	-46.64
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H](C)O	REAL250005039699	0	35	-1.0	-51.86	294.60	-2.80	-54.66
CC(NC(=O)CN1CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039700	0	40	-1.0	-49.21	324.84	-2.72	-51.93
CC(NC(=O)C[NH+]1CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039700	1	41	0.0	-71.06	329.15	0.49	-70.57
CC(O)C(C)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039701	0	41	-1.0	-49.07	335.48	-1.20	-50.27
C=C1CC1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039702	0	36	-1.0	-47.32	307.56	0.69	-46.63
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(C)COC1	REAL250005039703	0	39	-1.0	-46.33	326.86	-1.16	-47.49
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC(=O)N1	REAL250005039704	0	36	-1.0	-53.84	316.12	-3.58	-57.42
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H]1CC(=O)N1	REAL250005039705	0	36	-1.0	-53.86	316.13	-3.58	-57.44
CCC[C@H](O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039706	0	41	-1.0	-46.62	343.96	-0.81	-47.43
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(F)CCC1	REAL250005039707	0	38	-1.0	-44.16	324.28	1.03	-43.13
CC(NC(=O)C1=CN=CN1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039708	0	35	-1.0	-51.30	300.79	-0.80	-52.10
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC(=O)C1	REAL250005039709	0	37	-1.0	-48.62	320.63	0.08	-48.54
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1(O)COC1	REAL250005039710	0	37	-1.0	-47.17	316.77	-4.30	-51.47
CC(C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005039711	0	39	-1.0	-48.09	326.24	1.61	-46.48
CC1=CC1C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039712	0	36	-1.0	-46.80	316.74	1.19	-45.61
CC(NC(=O)C(=O)N(C)C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039713	0	38	-1.0	-45.14	323.90	-1.43	-46.57
CCCC(O)C(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039714	0	41	-1.0	-46.62	343.96	-0.81	-47.43
CCC(O)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039715	0	41	-1.0	-49.70	343.34	-1.14	-50.84
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H]1CC(=O)N1	REAL250005039716	0	36	-1.0	-54.41	315.64	-3.92	-58.33
COC1(C(=O)NC(C)C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039717	0	39	-1.0	-45.83	324.50	-0.82	-46.65
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CSC1	REAL250005039718	0	36	-1.0	-47.55	310.07	0.28	-47.27
C=CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039719	0	32	-1.0	-46.56	283.02	-0.54	-47.10
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC(=O)N1	REAL250005039720	0	36	-1.0	-53.84	316.12	-3.58	-57.42
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)C1CC(F)C1	REAL250005039721	0	38	-1.0	-50.20	316.83	0.72	-49.48
CC(NC(=O)C1=CC=NO1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039722	0	34	-1.0	-45.48	305.27	-0.54	-46.02
CCC(=O)N(C)C1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039723	0	41	-1.0	-49.86	316.22	2.16	-47.70
CC(=O)N(C)C1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039724	0	38	-1.0	-48.42	306.46	1.32	-47.10
CN(C(=O)CO)C1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039725	0	39	-1.0	-50.50	306.69	-0.80	-51.30
CCC(=O)NC1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039726	0	41	-1.0	-48.72	325.32	2.01	-46.71
CC(=O)NC1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039727	0	38	-1.0	-50.97	292.29	1.20	-49.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CCC(NC(=O)CO)CC1	REAL250005039728	0	39	-1.0	-55.27	303.03	-0.90	-56.17
C=CC(=O)NC1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039729	0	39	-1.0	-51.05	304.43	1.76	-49.29
CCC(=O)N(C)CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039730	0	40	-1.0	-48.13	315.02	1.88	-46.25
CC(=O)N(C)CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039731	0	37	-1.0	-48.35	293.51	1.10	-47.25
CN(CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005039732	0	41	-1.0	-48.12	325.47	2.58	-45.54
COCC(=O)N(C)CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039733	0	41	-1.0	-51.42	327.74	1.19	-50.23
CCCC(=O)N(C)CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039734	0	43	-1.0	-48.00	336.52	2.65	-45.35
CC(C)C(=O)N(C)CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039735	0	43	-1.0	-47.97	329.65	2.25	-45.72
CN(CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005039736	0	38	-1.0	-45.97	308.08	-2.72	-48.69
C=CCC(=O)N(C)CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039737	0	41	-1.0	-48.20	327.93	2.42	-45.78
CN(CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005039738	0	38	-1.0	-52.97	305.49	-1.09	-54.06
CC(O)C(=O)N(C)CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039739	0	41	-1.0	-48.95	322.20	-0.52	-49.47
C[C@@H](O)C(=O)N(C)CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039740	0	41	-1.0	-49.31	320.71	-0.54	-49.85
C[C@H](O)C(=O)N(C)CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039741	0	41	-1.0	-48.96	322.21	-0.53	-49.49
CC=CC(=O)N(C)CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039742	0	41	-1.0	-48.26	327.76	2.47	-45.79
COCC(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039743	0	41	-1.0	-51.57	325.58	1.10	-50.47
CCCC(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039744	0	43	-1.0	-48.55	334.36	2.50	-46.05
CC(C)C(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039745	0	43	-1.0	-48.34	332.42	2.40	-45.94
CCC(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039746	0	40	-1.0	-48.74	312.86	1.74	-47.00
CC(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039747	0	37	-1.0	-48.97	292.27	0.92	-48.05
CN(CC(C)(C)CNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005039748	0	41	-1.0	-48.59	323.37	2.50	-46.09
CN(CC(C)(C)CNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005039749	0	38	-1.0	-48.77	308.20	-2.93	-51.70
CN(CC(C)(C)CNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005039750	0	38	-1.0	-53.14	303.32	-1.19	-54.33
CC(O)C(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039751	0	41	-1.0	-49.72	323.66	-0.40	-50.12
CC(=O)C(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039752	0	39	-1.0	-47.61	315.60	0.89	-46.72
CC=CC(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039753	0	41	-1.0	-48.77	326.44	2.34	-46.43
C[C@H](O)C(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039754	0	41	-1.0	-49.01	323.65	-0.39	-49.40
C=CCC(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039755	0	41	-1.0	-48.74	325.77	2.28	-46.46
CN(CC(C)(C)CNC(=O)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005039756	0	38	-1.0	-56.87	312.32	1.40	-55.47
C[C@@H](O)C(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039757	0	41	-1.0	-49.72	323.66	-0.40	-50.12
C=CC(=O)NCC(C)(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039758	0	38	-1.0	-49.01	304.71	1.46	-47.55
CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039759	0	34	-1.0	-44.08	283.40	0.55	-43.53
COCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039760	0	38	-1.0	-44.78	317.07	-0.38	-45.16
CC(CNC(=O)C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039761	0	35	-1.0	-44.26	293.92	1.32	-42.94
CC(CNC(=O)C1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039762	0	38	-1.0	-43.87	310.13	1.82	-42.05
CC(CNC(=O)C1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039763	0	41	-1.0	-43.70	326.44	2.43	-41.27
CC(CNC(=O)CC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039764	0	38	-1.0	-43.75	314.34	2.09	-41.66
CC(CNC(=O)C(C)(C)F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039765	0	37	-1.0	-44.30	309.07	1.25	-43.05
CC(CNC(=O)C(C)(F)F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039766	0	34	-1.0	-45.30	295.25	0.73	-44.57
COCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039767	0	35	-1.0	-46.35	296.12	-0.09	-46.44
CCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039768	0	37	-1.0	-43.88	304.90	1.32	-42.56
CC(CNC(=O)C1=CC=CO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039769	0	35	-1.0	-46.73	303.02	0.86	-45.87
CC(=O)NCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039770	0	38	-1.0	-49.07	322.08	-1.78	-50.85
CC(C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039771	0	40	-1.0	-43.53	321.62	1.90	-41.63
CC(CNC(=O)C1CC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039772	0	38	-1.0	-44.04	315.24	2.00	-42.04
CCOCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039773	0	38	-1.0	-46.30	317.98	0.87	-45.43
CC(C)=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039774	0	38	-1.0	-44.42	312.87	1.86	-42.56
CC(CNC(=O)C1CCCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039775	0	39	-1.0	-46.42	319.37	1.13	-45.29
CSCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039776	0	35	-1.0	-45.46	306.46	0.98	-44.48
CC(C)CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039777	0	43	-1.0	-43.77	343.97	2.60	-41.17
CC(CNC(=O)C1=CC=CN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039778	0	36	-1.0	-45.01	305.91	0.64	-44.37
CC(CNC(=O)C1=COC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039779	0	35	-1.0	-46.31	302.13	0.83	-45.48
CCCCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039780	0	43	-1.0	-43.79	347.90	2.88	-40.91
CC(CNC(=O)CC(C)(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039781	0	43	-1.0	-42.98	336.60	2.43	-40.55
CCCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039782	0	40	-1.0	-43.82	326.40	2.10	-41.72
CC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039783	0	37	-1.0	-43.87	302.95	1.21	-42.66
CCC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039784	0	40	-1.0	-43.73	321.07	1.86	-41.87
CCC(CC)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039785	0	43	-1.0	-43.46	337.24	2.33	-41.13
CC(CNC(=O)C1=CC=NN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039786	0	35	-1.0	-45.79	300.62	-0.67	-46.46
CCOC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039787	0	41	-1.0	-45.91	337.76	1.56	-44.35
CC(CNC(=O)C1=CNN=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039788	0	35	-1.0	-48.00	300.90	-0.71	-48.71
COCCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039789	0	41	-1.0	-45.55	338.57	0.39	-45.16
CC(CNC(=O)C1=NOC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039790	0	34	-1.0	-50.05	297.50	0.09	-49.96
CCC=C(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039791	0	41	-1.0	-44.53	332.02	2.61	-41.92
COC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039792	0	38	-1.0	-45.84	315.91	0.61	-45.23
CC(C)OCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039793	0	41	-1.0	-46.22	338.25	1.60	-44.62
CCCOCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039794	0	41	-1.0	-46.17	339.48	1.67	-44.50
CC(CNC(=O)C1CCOC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039795	0	39	-1.0	-44.83	317.76	-0.09	-44.92
CCC(OC)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039796	0	41	-1.0	-44.65	336.07	1.43	-43.22
COC(C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039797	0	41	-1.0	-45.54	336.21	1.15	-44.39
C=CCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039798	0	38	-1.0	-43.84	317.71	1.88	-41.96
CCOCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039799	0	41	-1.0	-44.83	338.93	0.59	-44.24
COCC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039800	0	41	-1.0	-44.47	335.78	0.33	-44.14
C=CCOCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039801	0	39	-1.0	-46.43	330.88	1.45	-44.98
CC(CNC(=O)C1=COC=N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039802	0	34	-1.0	-48.94	297.81	-2.54	-51.48
CCCC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039803	0	43	-1.0	-43.70	342.57	2.62	-41.08
CC(CNC(=O)CCC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039804	0	41	-1.0	-43.62	336.46	2.88	-40.74
CC(CNC(=O)C1CC=CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039805	0	39	-1.0	-43.87	318.94	2.31	-41.56
CC(CNC(=O)CC1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039806	0	41	-1.0	-43.49	331.27	2.60	-40.89
CC(CNC(=O)C(C)C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039807	0	41	-1.0	-43.56	332.26	2.65	-40.91
CC=C(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039808	0	38	-1.0	-44.77	311.71	1.83	-42.94
CC(CNC(=O)C1CC(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039809	0	41	-1.0	-43.99	330.49	2.46	-41.53
CC(CNC(=O)C=C1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039810	0	39	-1.0	-45.05	322.57	2.54	-42.51
CC(C)=C(F)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039811	0	38	-1.0	-45.98	317.11	1.89	-44.09
CC(CNC(=O)C1=CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039812	0	39	-1.0	-44.99	319.93	2.41	-42.58
CC(CNC(=O)C1CC1(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039813	0	41	-1.0	-43.50	330.53	2.54	-40.96
CC(CNC(=O)[C@H]1CC1(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039814	0	41	-1.0	-43.57	331.02	2.56	-41.01
CC(CNC(=O)[C@@H]1CCCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039815	0	39	-1.0	-46.53	319.49	1.14	-45.39
CCC(C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039816	0	43	-1.0	-43.46	339.86	2.57	-40.89
C#CCCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039817	0	39	-1.0	-45.80	332.18	2.62	-43.18
CC(CNC(=O)CC(C)(C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039818	0	41	-1.0	-43.34	327.79	-0.16	-43.50
CC(C)[C@@H](O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039819	0	41	-1.0	-44.59	329.30	-0.98	-45.57
CCC(C)=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039820	0	41	-1.0	-44.29	334.62	2.62	-41.67
CC(C)C#CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039821	0	39	-1.0	-46.56	332.79	2.57	-43.99
CC(CNC(=O)C#CC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039822	0	37	-1.0	-46.75	322.42	2.75	-44.00
C=C(C)CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039823	0	41	-1.0	-43.73	339.06	2.53	-41.20
CC(CNC(=O)C1(C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039824	0	38	-1.0	-44.30	311.62	1.92	-42.38
CC(CNC(=O)[C@H]1CCCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039825	0	39	-1.0	-45.39	319.81	1.13	-44.26
CC(CNC(=O)C1=NNN=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039826	0	34	-1.0	-46.43	296.32	-2.13	-48.56
CC(CNC(=O)C1=CN=NN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039826	1	34	-1.0	-45.53	295.42	-2.05	-47.58
CC(CNC(=O)CC1(C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039827	0	41	-1.0	-43.57	335.06	2.58	-40.99
CC(CNC(=O)C1=CN=CO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039828	0	34	-1.0	-46.63	297.81	-2.44	-49.07
C=CC(C)(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039829	0	41	-1.0	-43.74	330.60	2.17	-41.57
CC(CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039830	0	38	-1.0	-44.11	315.10	2.00	-42.11
CC(CNC(=O)C1(C)CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039831	0	41	-1.0	-43.84	327.27	2.35	-41.49
CCC(F)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039832	0	37	-1.0	-45.07	311.17	1.35	-43.72
CC(CNC(=O)CCCF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039833	0	37	-1.0	-45.22	311.49	1.46	-43.76
CC(CNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039834	0	38	-1.0	-44.29	315.10	1.98	-42.31
C=CCCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039835	0	41	-1.0	-44.10	339.21	2.66	-41.44
CCC(C)(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039836	0	43	-1.0	-43.76	336.06	2.27	-41.49
CC(CNC(=O)C(N)=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039837	0	32	-1.0	-49.04	278.75	-4.12	-53.16
CC(CNC(=O)CC1CC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039838	0	41	-1.0	-43.74	335.67	2.77	-40.97
CCC1(C(=O)NCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039839	0	41	-1.0	-43.97	337.26	2.55	-41.42
CC(CNC(=O)C1(CF)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039840	0	38	-1.0	-44.78	316.86	2.04	-42.74
CC(CNC(=O)C(C)(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039841	0	40	-1.0	-43.78	321.84	1.78	-42.00
CC(C)C(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039842	0	43	-1.0	-43.26	336.97	2.41	-40.85
CC[C@@H]1C[C@H]1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039843	0	41	-1.0	-43.80	336.65	2.76	-41.04
CC(CNC(=O)C1CC12CC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039844	0	39	-1.0	-44.70	326.31	2.79	-41.91
CC(CNC(=O)[C@@H]1CC(=O)N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039845	0	36	-1.0	-48.14	308.32	-2.75	-50.89
CC(CNC(=O)[C@H]1CC(=O)N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039846	0	36	-1.0	-48.64	308.31	-2.76	-51.40
COC1(C(=O)NCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039847	0	39	-1.0	-44.65	322.33	1.09	-43.56
CC(CNC(=O)C1CSC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039848	0	36	-1.0	-44.18	310.00	1.47	-42.71
C=CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039849	0	35	-1.0	-44.08	296.31	1.09	-42.99
CC(CNC(=O)C[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039850	0	40	0.0	-59.56	318.99	1.27	-58.29
CC(CNC(=O)CN(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039850	1	39	-1.0	-44.50	316.91	-1.12	-45.62
C=CC(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039851	0	36	-1.0	-44.83	304.76	-0.85	-45.68
CC(CNC(=O)C1COC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039852	0	36	-1.0	-44.24	300.76	-0.94	-45.18
CO[C@H](C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039853	0	38	-1.0	-45.57	315.92	0.61	-44.96
CC=CC(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039854	0	39	-1.0	-44.78	326.46	0.00	-44.78
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039855	0	43	0.0	-56.24	336.53	1.71	-54.53
CC(CNC(=O)[C@H](C)N(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039855	1	42	-1.0	-44.11	330.62	-0.73	-44.84
CCC=C(F)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039856	0	38	-1.0	-45.65	322.25	1.95	-43.70
CCC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039857	0	38	-1.0	-44.57	318.06	1.91	-42.66
CC(CNC(=O)C(C)(C)CO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039859	0	41	-1.0	-44.83	331.19	-1.43	-46.26
CC(CNC(=O)C1(F)CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039860	0	38	-1.0	-45.54	316.44	1.86	-43.68
CC(CNC(=O)CO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039861	0	32	-1.0	-47.60	273.87	-2.37	-49.97
CC(CNC(=O)C=CC(N)=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039862	0	36	-1.0	-50.41	313.36	-2.81	-53.22
CC(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039863	0	35	-1.0	-44.45	294.20	-1.59	-46.04
CC(CNC(=O)C1(O)CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039864	0	39	-1.0	-44.79	316.63	-1.23	-46.02
CC(CNC(=O)C(O)C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039865	0	39	-1.0	-44.36	322.49	0.22	-44.14
C=CCC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039866	0	41	-1.0	-43.59	335.58	2.45	-41.14
CC(CNC(=O)C1CC1F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039867	0	35	-1.0	-44.92	300.71	1.41	-43.51
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039868	0	43	0.0	-56.24	336.53	1.71	-54.53
CC(CNC(=O)[C@H](C)N(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039868	1	42	-1.0	-44.11	330.62	-0.73	-44.84
CC(CNC(=O)CCF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039869	0	34	-1.0	-44.05	289.99	0.69	-43.36
CC(CNC(=O)C1(O)COC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039870	0	37	-1.0	-44.96	309.13	-3.98	-48.94
CC(C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005039871	0	39	-1.0	-45.19	326.18	2.78	-42.41
CCC1CC1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039872	0	41	-1.0	-43.75	331.23	2.77	-40.98
CC(CNC(=O)CC1(O)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039873	0	39	-1.0	-46.20	324.09	-1.43	-47.63
CC(CNC(=O)C=CCF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039874	0	35	-1.0	-45.32	303.16	1.27	-44.05
C#CCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039875	0	36	-1.0	-44.78	310.68	1.83	-42.95
CC(CNC(=O)CN1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039876	0	40	-1.0	-44.58	324.72	-1.53	-46.11
CC(CNC(=O)C[NH+]1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039876	1	41	0.0	-57.68	329.04	1.70	-55.98
C#C[C@H]1C[C@H]1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039877	0	37	-1.0	-45.92	316.80	2.49	-43.43
CC(CNC(=O)C1C2CCC21)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039878	0	39	-1.0	-44.22	316.61	2.66	-41.56
C=C1CCC1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039879	0	39	-1.0	-43.21	322.91	2.30	-40.91
CC(CNC(=O)C1[C@H](C)[C@@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039880	0	41	-1.0	-43.19	324.06	2.48	-40.71
CC(CNC(=O)[C@@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039881	0	43	0.0	-57.46	337.23	1.65	-55.81
CC(CNC(=O)[C@@H](C)N(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039881	1	42	-1.0	-43.91	328.54	-0.79	-44.70
CC=CC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039882	0	39	-1.0	-45.10	332.14	2.59	-42.51
COCC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039883	0	39	-1.0	-45.65	330.33	0.19	-45.46
CC(CNC(=O)C1(C)COC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039884	0	39	-1.0	-43.90	319.03	-0.36	-44.26
CC(CNC(=O)C1CCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039885	0	36	-1.0	-45.13	301.94	0.07	-45.06
CC(CNC(=O)CCN=[N+]=[N-])N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039886	0	36	-1.0	-43.75	313.54	-2.83	-46.58
C#CCOCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039887	0	37	-1.0	-48.57	323.76	1.41	-47.16
CC(CNC(=O)C(C)(C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039888	0	38	-1.0	-44.81	313.88	-2.03	-46.84
CC1=CC1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039889	0	36	-1.0	-45.35	308.92	2.02	-43.33
CC(CNC(=O)C(=O)N(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039890	0	38	-1.0	-49.84	316.06	-0.59	-50.43
CSC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039891	0	36	-1.0	-45.53	319.02	1.45	-44.08
CCC(C)(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039892	0	41	-1.0	-44.98	330.71	-1.33	-46.31
CC[N@H+](C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039893	0	43	0.0	-57.31	336.67	1.95	-55.36
CC[N@@H+](C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039893	1	43	0.0	-57.31	336.67	1.95	-55.36
CCN(C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039893	1	42	-1.0	-44.28	334.88	-0.33	-44.61
C=C1CC(C(=O)NCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005039894	0	39	-1.0	-43.65	323.66	2.34	-41.31
CC(CNC(=O)C1CCC1F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039895	0	38	-1.0	-46.19	314.11	1.93	-44.26
CC(CNC(=O)C1=CN=CN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039896	0	35	-1.0	-45.56	300.73	0.39	-45.17
CC(CNC(=O)C1=CCCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039897	0	37	-1.0	-46.90	311.45	0.44	-46.46
CCC[C@H](O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039898	0	41	-1.0	-44.24	336.20	0.03	-44.21
CC(C)[C@H](O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039899	0	41	-1.0	-44.11	330.50	-0.07	-44.18
CCOC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039900	0	39	-1.0	-46.70	330.04	0.77	-45.93
CC(CNC(=O)[C@@H](C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039901	0	35	-1.0	-44.11	294.21	-1.59	-45.70
CC(CNC(=O)C=CCO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039902	0	36	-1.0	-46.87	308.08	-2.21	-49.08
COC(C)(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039903	0	41	-1.0	-45.84	327.86	1.09	-44.75
CC(CNC(=O)CCCCO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039904	0	41	-1.0	-45.87	337.82	-1.23	-47.10
CC(CNC(=O)C1(CO)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039905	0	39	-1.0	-46.35	327.34	-1.51	-47.86
COC(F)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039906	0	35	-1.0	-46.41	302.02	-0.62	-47.03
CC(CNC(=O)C12CC1CC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039907	0	39	-1.0	-43.93	322.35	2.52	-41.41
C=C[C@H](C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039908	0	41	-1.0	-43.37	334.42	2.44	-40.93
CC(CNC(=O)C=CC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039909	0	39	-1.0	-44.39	328.96	2.73	-41.66
CC=C(CC)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039910	0	41	-1.0	-44.76	332.75	2.54	-42.22
C=CC(C)(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039911	0	39	-1.0	-44.71	324.06	-1.29	-46.00
CC(CNC(=O)C1=CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039912	0	36	-1.0	-45.55	304.40	1.89	-43.66
CON=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039913	0	35	-1.0	-46.83	305.86	-0.89	-47.72
CC(CNC(=O)C1(F)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039914	0	35	-1.0	-45.33	300.57	1.39	-43.94
CC(CNC(=O)C1=NOCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039915	0	36	-1.0	-49.10	307.45	-0.60	-49.70
C#CC(C)(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039916	0	39	-1.0	-45.46	327.66	2.22	-43.24
CC(CNC(=O)COC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039917	0	39	-1.0	-46.32	328.35	1.66	-44.66
CC(CNC(=O)C1=NC=CN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039918	0	35	-1.0	-50.66	301.86	-0.41	-51.07
CCCC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039919	0	41	-1.0	-44.45	339.56	2.69	-41.76
CC=C(F)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039920	0	35	-1.0	-45.70	301.94	1.22	-44.48
CCC(CO)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039921	0	41	-1.0	-44.87	330.00	-1.02	-45.89
CC(CO)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039922	0	38	-1.0	-45.23	313.53	-2.07	-47.30
CC(CNC(=O)C1=CON=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039923	0	34	-1.0	-46.50	297.13	0.28	-46.22
CC(CNC(=O)[C@@H]1C[C@H]1CF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039924	0	38	-1.0	-44.87	321.85	2.13	-42.74
C#CC1(C(=O)NCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005039925	0	37	-1.0	-45.19	320.07	2.41	-42.78
CC(CNC(=O)C1=COCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039926	0	37	-1.0	-44.65	310.05	0.40	-44.25
CC(CNC(=O)[C@H](C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039927	0	35	-1.0	-46.79	294.54	-1.61	-48.40
CC(CNC(=O)C1C=CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039928	0	39	-1.0	-43.99	318.97	2.34	-41.65
CC(O)C(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039929	0	41	-1.0	-45.61	327.72	-0.38	-45.99
C=C1CC1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039930	0	36	-1.0	-45.01	307.49	1.89	-43.12
CC(CF)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039931	0	37	-1.0	-43.57	308.75	1.34	-42.23
C=C(C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039932	0	38	-1.0	-44.18	317.66	1.74	-42.44
CC(C)=C(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039933	0	41	-1.0	-44.52	327.59	2.52	-42.00
CCCC(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039934	0	41	-1.0	-44.17	336.19	0.02	-44.15
CCC(O)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039935	0	41	-1.0	-46.07	335.57	-0.30	-46.37
CC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039936	0	35	-1.0	-44.79	296.97	1.15	-43.64
CC(CNC(=O)C1(C)CC1F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039937	0	38	-1.0	-46.59	316.36	2.02	-44.57
CC(CNC(=O)[C@H]1C[C@@H](O)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039938	0	39	-1.0	-46.26	321.56	-1.58	-47.84
CC(CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039939	0	38	-1.0	-44.11	315.10	2.00	-42.11
CNC(=O)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039940	0	38	-1.0	-52.15	319.49	-0.40	-52.55
C=CC=CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039941	0	39	-1.0	-44.46	331.56	2.52	-41.94
CC(CNC(=O)CCC(N)=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039942	0	38	-1.0	-49.73	321.08	-2.62	-52.35
CC(O)CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039943	0	41	-1.0	-45.32	336.71	-1.19	-46.51
C#CCC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039944	0	39	-1.0	-44.35	328.55	2.40	-41.95
CC(CCO)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039945	0	41	-1.0	-46.24	332.50	-1.50	-47.74
CC(CNC(=O)[C@H](O)CF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039946	0	35	-1.0	-45.35	300.51	-1.42	-46.77
CC(CNC(=O)C1(O)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039947	0	36	-1.0	-44.33	302.69	-1.74	-46.07
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CC1	REAL250005039948	0	38	-1.0	-47.48	316.97	2.22	-45.26
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(C)F	REAL250005039949	0	37	-1.0	-47.89	302.44	1.08	-46.81
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(F)F	REAL250005039950	0	34	-1.0	-44.21	295.30	0.71	-43.50
COCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039951	0	35	-1.0	-50.51	298.76	0.03	-50.48
CCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039952	0	37	-1.0	-46.85	307.54	1.43	-45.42
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CO1	REAL250005039953	0	35	-1.0	-48.17	303.02	1.04	-47.13
CC(=O)NCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039954	0	38	-1.0	-49.37	324.70	-1.71	-51.08
CC(C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039955	0	40	-1.0	-46.77	324.26	2.02	-44.75
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1C	REAL250005039956	0	38	-1.0	-47.09	317.14	2.05	-45.04
CCOCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039957	0	38	-1.0	-50.62	320.62	0.99	-49.63
CC(C)=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039958	0	38	-1.0	-46.56	314.69	1.95	-44.61
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCCO1	REAL250005039959	0	39	-1.0	-51.78	319.27	1.09	-50.69
CSCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039960	0	35	-1.0	-49.75	309.11	1.11	-48.64
CC(C)CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039961	0	43	-1.0	-46.83	346.60	2.72	-44.11
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CN1	REAL250005039962	0	36	-1.0	-50.31	304.02	1.03	-49.28
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=COC=C1	REAL250005039963	0	35	-1.0	-51.75	300.01	0.68	-51.07
CCCCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039964	0	43	-1.0	-46.92	350.53	2.99	-43.93
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC(C)(C)C	REAL250005039965	0	43	-1.0	-46.08	339.24	2.55	-43.53
CCCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039966	0	40	-1.0	-46.95	329.03	2.21	-44.74
CC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039967	0	37	-1.0	-48.21	300.48	1.04	-47.17
CCC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039968	0	40	-1.0	-47.51	318.80	1.67	-45.84
CCC(CC)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039969	0	43	-1.0	-46.25	342.82	2.49	-43.76
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NNC=C1	REAL250005039970	0	35	-1.0	-50.35	302.04	-0.30	-50.65
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=NN1	REAL250005039970	1	35	-1.0	-48.59	298.91	-0.47	-49.06
CCOC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039971	0	41	-1.0	-50.86	337.53	1.51	-49.35
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CNN=C1	REAL250005039972	0	35	-1.0	-49.45	298.53	-0.98	-50.43
COCCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039973	0	41	-1.0	-49.55	341.21	0.50	-49.05
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NOC=C1	REAL250005039974	0	34	-1.0	-48.50	297.92	0.48	-48.02
CCC=C(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039975	0	41	-1.0	-47.93	340.42	2.54	-45.39
COC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039976	0	38	-1.0	-51.04	313.44	0.50	-50.54
CC(C)OCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039977	0	41	-1.0	-50.48	340.89	1.72	-48.76
CCCOCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039978	0	41	-1.0	-50.17	342.11	1.79	-48.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCOC1	REAL250005039979	0	39	-1.0	-48.07	319.11	-0.15	-48.22
CCC(OC)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039980	0	41	-1.0	-50.20	334.86	1.29	-48.91
COC(C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039981	0	41	-1.0	-49.37	338.85	1.25	-48.12
C=CCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039982	0	38	-1.0	-46.54	320.35	1.99	-44.55
CCOCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039983	0	41	-1.0	-46.91	341.56	0.70	-46.21
COCC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039984	0	41	-1.0	-47.23	333.51	0.14	-47.09
C=CCOCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039985	0	39	-1.0	-51.11	333.52	1.56	-49.55
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=COC=N1	REAL250005039986	0	34	-1.0	-48.07	297.65	-1.47	-49.54
CC(C#N)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039987	0	35	-1.0	-54.28	300.24	0.84	-53.44
CCCC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039988	0	43	-1.0	-47.55	340.30	2.43	-45.12
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC1CC1	REAL250005039989	0	41	-1.0	-47.18	339.15	3.00	-44.18
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC=CC1	REAL250005039990	0	39	-1.0	-48.67	320.57	2.34	-46.33
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CCC1	REAL250005039991	0	41	-1.0	-47.47	333.94	2.72	-44.75
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)C1CC1	REAL250005039992	0	41	-1.0	-47.21	330.61	2.52	-44.69
CC=C(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039993	0	38	-1.0	-47.97	319.45	1.79	-46.18
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC(C)C1	REAL250005039994	0	41	-1.0	-47.10	332.36	2.52	-44.58
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=C1CCC1	REAL250005039995	0	39	-1.0	-47.84	324.37	2.64	-45.20
CC(C)=C(F)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005039996	0	38	-1.0	-44.99	317.67	1.93	-43.06
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CCCC1	REAL250005039997	0	39	-1.0	-48.56	311.60	2.42	-46.14
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1(C)C	REAL250005039998	0	41	-1.0	-46.74	332.35	2.61	-44.13
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CC1(C)C	REAL250005039999	0	41	-1.0	-46.68	333.08	2.62	-44.06
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1CCCO1	REAL250005040000	0	39	-1.0	-50.31	318.76	1.01	-49.30
CCC(C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040001	0	43	-1.0	-46.81	342.50	2.68	-44.13
C#CCCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040002	0	39	-1.0	-49.50	334.81	2.73	-46.77
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC(C)(C)O	REAL250005040003	0	41	-1.0	-49.12	333.03	-0.27	-49.39
CC(C)[C@@H](O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040004	0	41	-1.0	-46.45	327.02	-0.41	-46.86
CCC(C)=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040005	0	41	-1.0	-46.52	336.32	2.71	-43.81
CC(C)C#CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040006	0	39	-1.0	-48.69	336.28	2.70	-45.99
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C#CC1CC1	REAL250005040007	0	37	-1.0	-49.11	325.94	2.87	-46.24
CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040008	0	34	-1.0	-46.91	286.04	0.67	-46.24
COCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040009	0	38	-1.0	-47.00	319.71	-0.26	-47.26
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1	REAL250005040010	0	35	-1.0	-47.05	296.48	1.38	-45.67
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC1	REAL250005040011	0	38	-1.0	-46.86	312.34	1.91	-44.95
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCCC1	REAL250005040012	0	41	-1.0	-46.92	328.07	2.43	-44.49
C=CCCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040013	0	41	-1.0	-47.28	341.85	2.78	-44.50
CCC(C)(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040014	0	43	-1.0	-49.49	323.02	2.02	-47.47
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(N)=O	REAL250005040015	0	32	-1.0	-46.33	278.94	-3.94	-50.27
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CC1C	REAL250005040016	0	41	-1.0	-47.35	338.36	2.87	-44.48
CCC1(C(=O)N(C)C(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005040017	0	41	-1.0	-47.76	335.63	2.43	-45.33
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(C)C	REAL250005040018	0	40	-1.0	-49.30	308.40	1.53	-47.77
C=C(C)CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040019	0	41	-1.0	-46.34	341.70	2.65	-43.69
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(CF)CC1	REAL250005040020	0	38	-1.0	-47.70	314.21	1.84	-45.86
CC(C)C(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040021	0	43	-1.0	-48.63	336.14	2.34	-46.29
CC[C@@H]1C[C@H]1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040022	0	41	-1.0	-47.42	338.53	2.83	-44.59
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC12CC2	REAL250005040023	0	39	-1.0	-47.95	328.91	2.86	-45.09
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CCCO1	REAL250005040024	0	39	-1.0	-50.74	319.14	1.07	-49.67
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1(C)CC1	REAL250005040025	0	41	-1.0	-47.26	337.06	2.70	-44.56
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C)CC1	REAL250005040026	0	38	-1.0	-47.06	313.45	1.70	-45.36
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CNC=C1	REAL250005040027	0	36	-1.0	-53.75	303.85	0.46	-53.29
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=CO1	REAL250005040028	0	34	-1.0	-49.52	298.26	-2.25	-51.77
C=CC(C)(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040029	0	41	-1.0	-49.00	317.84	2.03	-46.97
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1C[C@H]1C	REAL250005040030	0	38	-1.0	-47.41	317.14	2.06	-45.35
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C)CCC1	REAL250005040031	0	41	-1.0	-47.22	324.72	2.06	-45.16
CCC(F)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040032	0	37	-1.0	-50.54	313.19	1.41	-49.13
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCF	REAL250005040033	0	37	-1.0	-49.29	314.13	1.57	-47.72
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1C[C@@H]1C	REAL250005040034	0	38	-1.0	-47.06	317.14	2.06	-45.00
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NNN=C1	REAL250005040035	0	34	-1.0	-47.29	296.77	-1.74	-49.03
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CO	REAL250005040036	0	32	-1.0	-51.81	276.51	-2.26	-54.07
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CC(N)=O	REAL250005040037	0	36	-1.0	-49.89	315.19	-2.72	-52.61
COC(=O)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040038	0	37	-1.0	-54.25	317.98	1.61	-52.64
CSC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040039	0	36	-1.0	-47.10	320.80	1.59	-45.51
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC(N)=O	REAL250005040040	0	38	-1.0	-49.00	323.72	-2.50	-51.50
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCO1	REAL250005040041	0	36	-1.0	-51.90	303.65	0.10	-51.80
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CCCO1	REAL250005040042	0	37	-1.0	-46.12	311.40	0.82	-45.30
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1COC1	REAL250005040043	0	36	-1.0	-47.53	302.08	-0.88	-48.41
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CCO	REAL250005040044	0	36	-1.0	-51.42	309.89	-2.11	-53.53
CC=CC(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040045	0	39	-1.0	-46.72	324.28	-0.11	-46.83
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL250005040046	0	43	0.0	-58.08	337.16	1.70	-56.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)N(C)C	REAL250005040046	1	42	-1.0	-48.96	327.34	-0.97	-49.93
CCC=C(F)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040047	0	38	-1.0	-45.51	322.22	1.98	-43.53
CCC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040048	0	38	-1.0	-47.44	319.88	2.02	-45.42
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCN=[N+]=[N-]	REAL250005040049	0	36	-1.0	-45.78	316.17	-2.72	-48.50
C#CCOCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040050	0	37	-1.0	-53.27	326.40	1.52	-51.75
CC(O)CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040051	0	41	-1.0	-46.77	339.34	-1.08	-47.85
C#CCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040052	0	36	-1.0	-47.24	313.32	1.95	-45.29
CC=CC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040053	0	39	-1.0	-47.60	333.95	2.69	-44.91
COCC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040054	0	39	-1.0	-50.24	332.14	0.29	-49.95
CCC(C)(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040055	0	41	-1.0	-46.22	321.28	-0.77	-46.99
C#CCC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040056	0	39	-1.0	-47.52	326.28	2.21	-45.31
C=CC(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040057	0	36	-1.0	-46.75	302.58	-0.98	-47.73
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C12CC1CC2	REAL250005040058	0	39	-1.0	-47.97	318.57	2.33	-45.64
C=C[C@H](C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040059	0	41	-1.0	-46.06	337.06	2.55	-43.51
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CC1CC1	REAL250005040060	0	39	-1.0	-47.46	330.76	2.83	-44.63
CCC(C#N)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040061	0	38	-1.0	-46.69	324.97	1.44	-45.25
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C2CCC21	REAL250005040062	0	39	-1.0	-47.06	319.16	2.72	-44.34
C=C1CCC1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040063	0	39	-1.0	-46.76	321.75	2.23	-44.53
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1[C@H](C)[C@@H]1C	REAL250005040064	0	41	-1.0	-47.76	333.62	2.61	-45.15
CC[N@H+](C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040065	0	43	0.0	-61.09	339.37	1.99	-59.10
CC[N@@H+](C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040065	1	43	0.0	-61.08	339.37	1.98	-59.10
CCN(C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040065	1	42	-1.0	-47.88	337.52	-0.27	-48.15
CC(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040066	0	35	-1.0	-49.27	293.57	-1.67	-50.94
CC(=O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040067	0	33	-1.0	-45.38	285.39	-0.14	-45.52
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCC#N	REAL250005040068	0	38	-1.0	-54.35	328.39	1.95	-52.40
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C#N)CC1	REAL250005040069	0	36	-1.0	-49.43	311.79	1.23	-48.20
C=C1CC(C(=O)N(C)C(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040070	0	39	-1.0	-47.11	324.94	2.38	-44.73
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(F)CC1	REAL250005040071	0	35	-1.0	-46.57	300.40	1.36	-45.21
COC(C)(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040072	0	41	-1.0	-51.77	315.38	0.96	-50.81
CC(CC#N)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040073	0	38	-1.0	-48.11	319.85	1.39	-46.72
CCC1CC1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040074	0	41	-1.0	-47.43	339.26	2.82	-44.61
C=CC(C)(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040075	0	39	-1.0	-46.48	314.77	-0.66	-47.14
CCCC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040076	0	41	-1.0	-47.40	341.38	2.79	-44.61
CC=C(F)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040077	0	35	-1.0	-45.53	301.92	1.24	-44.29
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H](C)[NH+](C)C	REAL250005040078	0	43	0.0	-62.31	337.90	1.72	-60.59
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H](C)N(C)C	REAL250005040078	1	42	-1.0	-49.55	325.73	-1.07	-50.62
CCOC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040079	0	39	-1.0	-47.24	331.82	0.89	-46.35
CC(=O)OCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040080	0	37	-1.0	-50.51	322.11	1.62	-48.89
CC(=O)C=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040081	0	37	-1.0	-48.30	322.18	1.14	-47.16
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)COC1CC1	REAL250005040082	0	39	-1.0	-51.46	330.97	1.77	-49.69
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NC=CN1	REAL250005040083	0	35	-1.0	-49.03	301.74	0.26	-48.77
CC(CO)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040084	0	38	-1.0	-47.52	311.26	-2.26	-49.78
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CON=C1	REAL250005040085	0	34	-1.0	-48.37	294.42	0.03	-48.34
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCCO	REAL250005040086	0	41	-1.0	-48.23	340.46	-1.12	-49.35
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(=O)C1CC1	REAL250005040087	0	37	-1.0	-45.59	317.41	1.44	-44.15
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1(O)CC1	REAL250005040088	0	39	-1.0	-50.49	327.53	-1.31	-51.80
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC1F	REAL250005040089	0	38	-1.0	-50.14	315.70	1.95	-48.19
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1C[C@H]1CF	REAL250005040090	0	38	-1.0	-49.45	324.45	2.20	-47.25
CCC(CO)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040091	0	41	-1.0	-48.25	328.48	-1.55	-49.80
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1C[C@@H]1C#N	REAL250005040092	0	36	-1.0	-56.42	313.47	1.69	-54.73
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=COCC1	REAL250005040093	0	37	-1.0	-47.60	306.35	0.19	-47.41
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(O)CC1	REAL250005040094	0	36	-1.0	-46.02	307.45	-1.87	-47.89
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CCC1	REAL250005040095	0	36	-1.0	-48.59	302.46	1.80	-46.79
CC(CF)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040096	0	37	-1.0	-46.49	306.47	1.15	-45.34
CC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040097	0	35	-1.0	-47.40	298.79	1.26	-46.14
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C)CC1F	REAL250005040098	0	38	-1.0	-46.78	320.69	1.78	-45.00
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CCF	REAL250005040099	0	35	-1.0	-50.15	304.97	1.37	-48.78
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(CO)CC1	REAL250005040100	0	39	-1.0	-49.70	326.05	-1.60	-51.30
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=NO1	REAL250005040101	0	34	-1.0	-46.68	297.95	0.32	-46.36
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)O	REAL250005040103	0	35	-1.0	-49.23	293.57	-1.67	-50.90
CON=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040104	0	35	-1.0	-50.55	307.69	-0.81	-51.36
CC(C)[C@H](O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040105	0	41	-1.0	-48.24	328.03	-0.23	-48.47
C#CC1(C(=O)N(C)C(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005040106	0	37	-1.0	-47.04	317.31	2.14	-44.90
C=CC=CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040107	0	39	-1.0	-48.32	334.20	2.63	-45.69
C#C[C@H]1C[C@H]1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040108	0	37	-1.0	-49.63	318.64	2.56	-47.07
CC=C(CC)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040109	0	41	-1.0	-47.82	340.41	2.52	-45.30
COC(F)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040110	0	35	-1.0	-51.83	303.54	-0.55	-52.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1C[C@H]1C#N	REAL250005040111	0	36	-1.0	-46.84	317.49	1.81	-45.03
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1C[C@@H](O)C1	REAL250005040112	0	39	-1.0	-50.50	322.77	-1.54	-52.04
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(C)CO	REAL250005040113	0	41	-1.0	-49.05	317.93	-1.67	-50.72
C=CCC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040114	0	41	-1.0	-47.71	333.30	2.26	-45.45
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1C[C@H]1C	REAL250005040115	0	38	-1.0	-47.41	317.14	2.06	-45.35
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(C)O	REAL250005040116	0	38	-1.0	-52.77	300.24	-1.03	-53.80
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NOCC1	REAL250005040117	0	36	-1.0	-45.84	307.92	-0.23	-46.07
CC(C#N)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040118	0	38	-1.0	-47.72	323.58	1.70	-46.02
CC(CCO)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040119	0	41	-1.0	-51.30	330.22	-1.69	-52.99
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](O)CF	REAL250005040120	0	35	-1.0	-51.29	297.12	-1.67	-52.96
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(O)CCC1	REAL250005040121	0	39	-1.0	-45.87	320.59	-1.13	-47.00
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(O)C1CC1	REAL250005040122	0	39	-1.0	-46.81	320.30	0.07	-46.74
C=C(C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040123	0	38	-1.0	-47.16	320.30	1.85	-45.31
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(C)C#N	REAL250005040124	0	38	-1.0	-53.97	308.50	1.20	-52.77
CC(C)=C(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040125	0	41	-1.0	-47.88	335.08	2.32	-45.56
CNC(=O)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040126	0	38	-1.0	-57.93	322.12	-0.31	-58.24
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC(F)C1	REAL250005040127	0	38	-1.0	-47.16	317.74	1.95	-45.21
C=CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040128	0	35	-1.0	-46.79	298.95	1.21	-45.58
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+](C)C	REAL250005040129	0	40	0.0	-62.42	321.63	1.34	-61.08
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN(C)C	REAL250005040129	1	39	-1.0	-47.41	319.54	-1.06	-48.47
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC#N	REAL250005040130	0	32	-1.0	-55.55	285.50	0.34	-55.21
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1F	REAL250005040131	0	35	-1.0	-52.14	302.70	1.44	-50.70
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL250005040132	0	43	0.0	-58.08	337.16	1.70	-56.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)N(C)C	REAL250005040132	1	42	-1.0	-48.96	327.34	-0.97	-49.93
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCF	REAL250005040133	0	34	-1.0	-46.29	292.63	0.81	-45.48
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C=CCC1	REAL250005040134	0	39	-1.0	-46.93	316.85	2.22	-44.71
C#CC(C)(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040135	0	39	-1.0	-50.74	314.93	2.08	-48.66
CO[C@H](C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040136	0	38	-1.0	-51.07	313.43	0.50	-50.57
CC(=O)CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040137	0	39	-1.0	-47.33	330.62	1.34	-45.99
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H](C)O	REAL250005040138	0	35	-1.0	-51.55	292.08	-1.74	-53.29
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1CCC1	REAL250005040139	0	40	-1.0	-49.49	327.40	-1.46	-50.95
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CCC1	REAL250005040139	1	41	0.0	-62.52	331.71	1.76	-60.76
CC(O)C(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040140	0	41	-1.0	-51.15	325.20	-0.09	-51.24
C=C1CC1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040141	0	36	-1.0	-47.04	309.33	1.97	-45.07
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C)COC1	REAL250005040142	0	39	-1.0	-48.74	317.96	-0.56	-49.30
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC(=O)N1	REAL250005040143	0	36	-1.0	-53.10	309.98	-2.99	-56.09
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1CC(=O)N1	REAL250005040144	0	36	-1.0	-56.11	310.55	-2.73	-58.84
CCC[C@H](O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040145	0	41	-1.0	-46.38	335.73	-0.08	-46.46
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(F)CCC1	REAL250005040146	0	38	-1.0	-43.90	316.12	1.86	-42.04
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CNC=N1	REAL250005040147	0	35	-1.0	-49.87	301.54	1.10	-48.77
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=CN1	REAL250005040147	1	35	-1.0	-52.70	298.94	0.77	-51.93
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC(=O)C1	REAL250005040148	0	37	-1.0	-49.15	313.98	0.96	-48.19
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(O)COC1	REAL250005040149	0	37	-1.0	-48.14	307.93	-3.26	-51.40
CC(C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005040150	0	39	-1.0	-48.22	322.67	2.49	-45.73
CC1=CC1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040151	0	36	-1.0	-47.93	310.81	2.09	-45.84
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(=O)N(C)C	REAL250005040152	0	38	-1.0	-47.05	316.77	-0.46	-47.51
CCCC(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040153	0	41	-1.0	-47.27	333.93	-0.13	-47.40
CCC(O)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040154	0	41	-1.0	-49.71	338.21	-0.20	-49.91
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CC(=O)N1	REAL250005040155	0	36	-1.0	-53.38	310.61	-2.72	-56.10
COC1(C(=O)N(C)C(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005040156	0	39	-1.0	-45.64	326.04	0.51	-45.13
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CSC1	REAL250005040157	0	36	-1.0	-47.09	310.48	1.49	-45.60
C=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040158	0	32	-1.0	-47.45	277.07	0.38	-47.07
CC(CNC(=O)C1CC(=O)N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040159	0	36	-1.0	-48.13	308.21	-2.98	-51.11
CC(CNC(=O)C1CC(F)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040160	0	38	-1.0	-45.34	316.79	1.92	-43.42
CC(CNC(=O)C1=CC=NO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040161	0	34	-1.0	-48.05	297.51	0.29	-47.76
CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005040162	0	38	-1.0	-47.50	302.55	1.51	-45.99
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005040163	0	35	-1.0	-54.23	285.46	0.56	-53.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC1	REAL250005040164	0	39	-1.0	-53.77	316.29	2.14	-51.63
COCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005040165	0	39	-1.0	-50.35	315.34	0.90	-49.45
CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005040166	0	41	-1.0	-47.41	324.11	2.30	-45.11
CC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005040167	0	41	-1.0	-47.48	322.16	2.21	-45.27
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C(N)=O	REAL250005040168	0	36	-1.0	-49.10	301.11	-3.29	-52.39
C=CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005040169	0	39	-1.0	-47.95	315.53	2.08	-45.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CO	REAL250005040170	0	36	-1.0	-51.61	293.08	-1.38	-52.99
CC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005040171	0	39	-1.0	-51.41	313.68	-0.63	-52.04
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CCF	REAL250005040172	0	38	-1.0	-46.96	309.20	1.68	-45.28
C[C@@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005040173	0	39	-1.0	-47.18	313.34	-0.62	-47.80
C[C@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005040174	0	39	-1.0	-49.39	313.35	-0.61	-50.00
CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005040175	0	39	-1.0	-53.93	319.33	1.99	-51.94
COCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040176	0	39	-1.0	-58.95	318.46	1.21	-57.74
CCCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040177	0	41	-1.0	-55.12	327.19	2.58	-52.54
CC(C)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040178	0	41	-1.0	-54.85	324.07	2.30	-52.55
CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040179	0	38	-1.0	-55.10	305.74	1.82	-53.28
CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040180	0	35	-1.0	-47.92	284.47	1.00	-46.92
CC1CCN(C(=O)C2CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005040181	0	39	-1.0	-55.17	315.51	2.56	-52.61
CC1CCN(C(=O)C(N)=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005040182	0	36	-1.0	-49.02	298.50	-2.99	-52.01
CC1CCN(C(=O)CO)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005040183	0	36	-1.0	-60.50	296.21	-1.08	-61.58
CC(O)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040184	0	39	-1.0	-56.75	312.09	-0.55	-57.30
CC(=O)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040185	0	37	-1.0	-48.93	305.97	0.86	-48.07
CC=CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040186	0	39	-1.0	-54.96	318.20	2.41	-52.55
C[C@H](O)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040187	0	39	-1.0	-54.39	312.11	-0.53	-54.92
C=CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040188	0	39	-1.0	-54.69	318.65	2.36	-52.33
CC1CCN(C(=O)CC#N)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005040189	0	36	-1.0	-64.74	305.21	1.50	-63.24
CC1CCN(C(=O)CCF)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005040190	0	38	-1.0	-53.13	312.33	1.96	-51.17
C[C@@H](O)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040191	0	39	-1.0	-60.73	312.43	-0.58	-61.31
C=CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040192	0	36	-1.0	-54.81	296.49	1.53	-53.28
CCC(=O)N(C)CCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040193	0	43	-1.0	-48.56	342.60	2.64	-45.92
CC(=O)N(C)CCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040194	0	40	-1.0	-48.53	321.41	1.78	-46.75
CC(C)C(CCN(C)C(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005040195	0	41	-1.0	-53.44	332.35	0.06	-53.38
CCC(=O)NC(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040196	0	43	-1.0	-45.42	343.79	2.73	-42.69
CC(=O)NC(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040197	0	40	-1.0	-45.26	319.59	1.70	-43.56
CC(C)C(CCN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005040198	0	41	-1.0	-48.77	330.34	-0.50	-49.27
C=CC(=O)NC(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040199	0	41	-1.0	-45.45	331.71	2.26	-43.19
CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005040200	0	41	-1.0	-47.01	321.88	1.60	-45.41
CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005040201	0	38	-1.0	-46.96	301.12	0.77	-46.19
O=C(CO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005040202	0	39	-1.0	-51.52	312.35	-1.45	-52.97
CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005040203	0	41	-1.0	-49.98	321.96	1.60	-48.38
CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005040204	0	38	-1.0	-50.21	301.65	0.79	-49.42
O=C(CO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005040205	0	39	-1.0	-54.45	312.43	-1.32	-55.77
C=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005040206	0	39	-1.0	-50.26	313.81	1.31	-48.95
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC	REAL250005040207	0	40	-1.0	-44.55	329.55	0.88	-43.67
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(C)=O	REAL250005040208	0	37	-1.0	-48.26	308.82	0.29	-47.97
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005040209	0	41	-1.0	-48.27	339.92	1.87	-46.40
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC	REAL250005040210	0	41	-1.0	-47.39	342.27	0.15	-47.24
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC	REAL250005040211	0	43	-1.0	-44.36	351.05	1.65	-42.71
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C	REAL250005040212	0	43	-1.0	-44.21	349.10	1.56	-42.65
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005040213	0	38	-1.0	-47.20	324.75	-3.56	-50.76
C=CCC(=O)NC(CCCC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040214	0	41	-1.0	-44.87	342.46	1.43	-43.44
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005040215	0	38	-1.0	-52.78	319.88	-1.96	-54.74
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)O	REAL250005040216	0	41	-1.0	-45.89	340.35	-1.36	-47.25
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005040217	0	41	-1.0	-44.85	340.35	-1.36	-46.21
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005040218	0	41	-1.0	-45.87	340.35	-1.36	-47.23
CC=CC(=O)NC(CCCC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040219	0	41	-1.0	-44.68	343.12	1.51	-43.17
CCCCC(CNC(=O)COC)NC(=O)C1=CC(=O)[N-]O1	REAL250005040220	0	41	-1.0	-47.39	342.26	0.27	-47.12
CCCCC(CNC(=O)CCC)NC(=O)C1=CC(=O)[N-]O1	REAL250005040221	0	43	-1.0	-44.64	351.04	1.68	-42.96
CCCCC(CNC(=O)C(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040222	0	43	-1.0	-44.45	349.09	1.56	-42.89
CCCCC(CNC(=O)CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005040223	0	40	-1.0	-44.87	329.54	0.91	-43.96
CCCCC(CNC(C)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040224	0	37	-1.0	-43.51	311.68	0.40	-43.11
CCCCC(CNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040225	0	41	-1.0	-44.81	340.04	1.67	-43.14
CCCCC(CNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040226	0	38	-1.0	-48.13	324.89	-3.77	-51.90
CCCCC(CNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005040227	0	38	-1.0	-48.76	320.01	-2.01	-50.77
CCCCC(CNC(=O)C(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040228	0	41	-1.0	-45.23	340.34	-1.23	-46.46
CCCCC(CNC(=O)C(C)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040229	0	39	-1.0	-46.38	332.28	0.04	-46.34
CC=CC(=O)NCC(CCCC)NC(=O)C1=CC(=O)[N-]O1	REAL250005040230	0	41	-1.0	-45.15	343.12	1.51	-43.64
CCCCC(CNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040231	0	41	-1.0	-45.23	340.34	-1.23	-46.46
C=CCC(=O)NCC(CCCC)NC(=O)C1=CC(=O)[N-]O1	REAL250005040232	0	41	-1.0	-44.93	342.45	1.45	-43.48
CCCCC(CNC(=O)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005040233	0	38	-1.0	-51.75	329.00	0.58	-51.17
CCCCC(CNC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040234	0	41	-1.0	-45.22	340.34	-1.23	-46.45
C=CC(=O)NCC(CCCC)NC(=O)C1=CC(=O)[N-]O1	REAL250005040235	0	38	-1.0	-45.33	321.39	0.62	-44.71
CCC(=O)NCC1CCCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005040236	0	41	-1.0	-49.70	313.24	2.77	-46.93
CC(=O)NCC1CCCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005040237	0	38	-1.0	-49.86	292.65	1.96	-47.90
O=C(CO)NCC1CCCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005040238	0	39	-1.0	-53.89	303.71	-0.15	-54.04
CCC(=O)N1CCCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005040239	0	41	-1.0	-49.37	318.54	3.26	-46.11
CC(=O)N1CCCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005040240	0	38	-1.0	-49.13	296.71	2.37	-46.76
O=C(CO)N1CCCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005040241	0	39	-1.0	-54.15	309.02	0.21	-53.94
C=CC(=O)N1CCCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005040242	0	39	-1.0	-49.52	308.07	2.48	-47.04
CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040243	0	35	-1.0	-49.62	298.91	0.51	-49.11
COCCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040244	0	39	-1.0	-49.63	332.58	-0.42	-50.05
CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040245	0	32	-1.0	-49.99	278.62	-0.31	-50.30
CC(NC(=O)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040246	0	36	-1.0	-49.21	309.38	1.19	-48.02
CC(NC(=O)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040247	0	39	-1.0	-49.02	327.05	1.84	-47.18
CC(NC(=O)CC1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040248	0	39	-1.0	-49.67	329.83	2.06	-47.61
CC(NC(=O)C(C)(C)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040249	0	38	-1.0	-49.18	325.38	1.18	-48.00
COCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040250	0	36	-1.0	-52.63	311.63	-0.13	-52.76
CCCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040251	0	38	-1.0	-49.42	320.41	1.27	-48.15
CC(C)CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040252	0	41	-1.0	-48.95	337.14	1.87	-47.08
CC(NC(=O)C1CC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040253	0	39	-1.0	-49.04	330.81	1.87	-47.17
CCOCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040254	0	39	-1.0	-52.65	333.49	0.83	-51.82
CC(C)=CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040255	0	39	-1.0	-48.72	328.23	1.83	-46.89
CSCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040256	0	36	-1.0	-51.78	321.97	0.93	-50.85
CCCCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040257	0	41	-1.0	-49.53	341.91	2.05	-47.48
CC(C)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040258	0	38	-1.0	-49.20	318.46	1.18	-48.02
CCC(C)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040259	0	41	-1.0	-49.15	336.58	1.83	-47.32
COC(C)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040260	0	39	-1.0	-52.20	330.62	0.64	-51.56
C=CCCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040261	0	39	-1.0	-49.50	333.22	1.83	-47.67
CC=C(C)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040262	0	39	-1.0	-49.65	327.22	1.82	-47.83
CC(NC(=O)C1(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040263	0	39	-1.0	-48.97	327.13	1.80	-47.17
CC(NC(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040264	0	39	-1.0	-49.05	330.78	1.88	-47.17
CCC(F)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040265	0	38	-1.0	-49.63	326.68	1.32	-48.31
CC(NC(=O)CCCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040266	0	38	-1.0	-51.89	327.00	1.41	-50.48
CC(NC(=O)[C@H]1C[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040267	0	39	-1.0	-49.05	330.80	1.87	-47.18
CC(NC(=O)C(N)=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040268	0	33	-1.0	-49.58	294.26	-4.15	-53.73
CC(NC(=O)C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040269	0	41	-1.0	-49.25	338.31	1.86	-47.39
C=CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040270	0	36	-1.0	-49.88	311.82	1.05	-48.83
CC(NC(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040271	0	41	0.0	-71.17	334.50	1.23	-69.94
CC(NC(=O)CN(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040271	1	40	-1.0	-50.03	332.41	-1.15	-51.18
C=CC(O)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040272	0	37	-1.0	-49.76	320.27	-0.90	-50.66
CC(NC(=O)C1COC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040273	0	37	-1.0	-50.12	317.68	-0.94	-51.06
CO[C@H](C)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040274	0	39	-1.0	-52.19	331.40	0.59	-51.60
CCC=CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040275	0	39	-1.0	-49.50	333.57	1.90	-47.60
CC(NC(=O)CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040277	0	33	-1.0	-54.18	289.38	-2.41	-56.59
CC(O)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040278	0	36	-1.0	-50.81	309.71	-1.62	-52.43
CC(NC(=O)C1CC1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040279	0	36	-1.0	-48.27	317.63	1.42	-46.85
CC(NC(=O)CCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040280	0	35	-1.0	-49.16	305.50	0.65	-48.51
CC(NC(=O)C=CCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040281	0	36	-1.0	-51.77	318.67	1.25	-50.52
C#CCCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040282	0	37	-1.0	-49.81	326.19	1.79	-48.02
CC(NC(=O)C1CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040283	0	37	-1.0	-54.06	318.32	0.25	-53.81
CC(NC(=O)C(C)(C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040284	0	39	-1.0	-48.55	329.39	-2.07	-50.62
CC1=CC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040285	0	37	-1.0	-50.05	324.39	1.91	-48.14
CC(NC(=O)[C@@H](C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040286	0	36	-1.0	-50.84	309.69	-1.61	-52.45
CC(NC(=O)C=CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040287	0	37	-1.0	-53.01	323.59	-2.23	-55.24
CC(NC(=O)C1=CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040288	0	37	-1.0	-49.88	319.86	1.78	-48.10
CON=CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040289	0	36	-1.0	-52.73	321.60	-0.87	-53.60
CC(NC(=O)C1(F)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040290	0	36	-1.0	-47.14	317.04	1.38	-45.76
CC=C(F)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040291	0	36	-1.0	-47.85	317.45	1.20	-46.65
CC(CO)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040292	0	39	-1.0	-49.82	329.05	-2.11	-51.93
CC(NC(=O)[C@H](C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040293	0	36	-1.0	-50.17	309.44	-1.64	-51.81
C=C1CC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040294	0	37	-1.0	-49.28	324.41	1.89	-47.39
CC(CF)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040295	0	38	-1.0	-48.67	324.44	1.32	-47.35
C=C(C)CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040296	0	39	-1.0	-49.48	333.43	1.70	-47.78
CC=CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040297	0	36	-1.0	-49.66	312.48	1.14	-48.52
CC(NC(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040298	0	39	-1.0	-49.05	330.78	1.88	-47.17
CC(NC(=O)C1(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040299	0	37	-1.0	-49.95	317.74	-1.78	-51.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC2)C1	REAL250005040300	0	39	-1.0	-51.61	332.83	2.29	-49.32
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)F)C1	REAL250005040301	0	38	-1.0	-48.74	324.43	1.20	-47.54
COCC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040302	0	36	-1.0	-54.71	314.61	0.16	-54.55
CCCC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040303	0	38	-1.0	-51.20	323.39	1.52	-49.68
CC(C)CC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040304	0	41	-1.0	-50.68	340.12	2.12	-48.56
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2C)C1	REAL250005040305	0	39	-1.0	-50.25	328.62	2.16	-48.09
CCOCC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040306	0	39	-1.0	-54.77	336.47	1.12	-53.65
CC(C)=CC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040307	0	39	-1.0	-50.50	331.09	2.03	-48.47
CSCC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040308	0	36	-1.0	-53.66	324.95	1.19	-52.47
CCCCC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040309	0	41	-1.0	-51.28	344.89	2.30	-48.98
CC(C)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040310	0	38	-1.0	-51.16	318.82	1.18	-49.98
CCC(C)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040311	0	41	-1.0	-50.93	337.57	1.75	-49.18
COC(C)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040312	0	39	-1.0	-54.76	330.98	0.68	-54.08
C=CCCC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040313	0	39	-1.0	-50.96	336.20	2.08	-48.88
CC(C#N)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040314	0	36	-1.0	-58.41	318.25	0.81	-57.60
CC=C(C)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040315	0	39	-1.0	-47.43	325.77	1.61	-45.82
CCC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040316	0	35	-1.0	-51.38	301.89	0.76	-50.62
COCCC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040317	0	39	-1.0	-50.56	335.56	-0.17	-50.73
CC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040318	0	32	-1.0	-51.55	281.87	-0.14	-51.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2)C1	REAL250005040319	0	36	-1.0	-51.37	312.39	1.52	-49.85
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2)C1	REAL250005040320	0	39	-1.0	-51.19	328.63	2.03	-49.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(N)=O)C1	REAL250005040321	0	33	-1.0	-47.96	295.03	-4.00	-51.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C)C1	REAL250005040322	0	41	-1.0	-51.14	332.56	1.42	-49.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC2)C1	REAL250005040323	0	39	-1.0	-51.35	331.34	1.80	-49.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2C[C@H]2C)C1	REAL250005040324	0	39	-1.0	-47.21	332.57	2.07	-45.14
CCC(F)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040325	0	38	-1.0	-51.22	328.99	1.51	-49.71
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCF)C1	REAL250005040326	0	38	-1.0	-54.07	329.98	1.66	-52.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[C@@H]2C)C1	REAL250005040327	0	39	-1.0	-47.14	332.82	2.08	-45.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CO)C1	REAL250005040328	0	33	-1.0	-51.54	291.28	-2.32	-53.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCO2)C1	REAL250005040329	0	37	-1.0	-51.09	319.21	0.20	-50.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2COC2)C1	REAL250005040330	0	37	-1.0	-55.08	319.35	-0.78	-55.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CCO)C1	REAL250005040331	0	37	-1.0	-54.88	326.32	-2.02	-56.90
CCC=CC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040332	0	39	-1.0	-51.37	336.31	2.10	-49.27
C#CCCC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040333	0	37	-1.0	-50.92	329.17	2.04	-48.88
C=CC(O)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040334	0	37	-1.0	-51.83	325.17	-0.86	-52.69
CC(O)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040335	0	36	-1.0	-51.75	310.83	-1.58	-53.33
CC(=O)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040336	0	34	-1.0	-47.51	301.44	-0.20	-47.71
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC2)C1	REAL250005040337	0	36	-1.0	-46.47	314.68	1.31	-45.16
CC=C(F)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040338	0	36	-1.0	-48.07	318.08	1.28	-46.79
CC(CO)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040339	0	39	-1.0	-50.38	330.03	-2.18	-52.56
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(O)CC2)C1	REAL250005040340	0	37	-1.0	-49.35	324.42	-1.97	-51.32
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CCC2)C1	REAL250005040341	0	37	-1.0	-48.33	319.28	1.85	-46.48
CC(CF)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040342	0	38	-1.0	-49.59	328.32	1.44	-48.15
CC=CC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040343	0	36	-1.0	-51.58	315.22	1.34	-50.24
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CCF)C1	REAL250005040344	0	36	-1.0	-53.33	321.40	1.45	-51.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)O)C1	REAL250005040346	0	36	-1.0	-52.02	310.21	-1.52	-53.54
CON=CC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040347	0	36	-1.0	-53.20	324.52	-0.77	-53.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2C[C@H]2C)C1	REAL250005040348	0	39	-1.0	-47.21	332.57	2.07	-45.14
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)O)C1	REAL250005040349	0	39	-1.0	-49.00	330.73	-1.84	-50.84
C=C(C)CC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040350	0	39	-1.0	-51.13	336.42	1.95	-49.18
C=CCC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040351	0	36	-1.0	-51.38	314.80	1.30	-50.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](C)C)C1	REAL250005040352	0	41	0.0	-73.62	337.48	1.47	-72.15
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN(C)C)C1	REAL250005040352	1	40	-1.0	-51.66	335.39	-0.94	-52.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC#N)C1	REAL250005040353	0	33	-1.0	-54.45	300.28	0.25	-54.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2F)C1	REAL250005040354	0	36	-1.0	-54.93	318.90	1.49	-53.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCF)C1	REAL250005040355	0	35	-1.0	-46.55	307.41	0.71	-45.84
CO[C@H](C)C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040356	0	39	-1.0	-54.62	329.81	0.67	-53.95
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H](C)O)C1	REAL250005040357	0	36	-1.0	-52.22	308.10	-1.54	-53.76
C=C1CC1C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040358	0	37	-1.0	-51.03	326.27	2.01	-49.02
CC1=CC1C(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040359	0	37	-1.0	-51.75	327.69	2.16	-49.59
C=CC(=O)N1CC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040360	0	33	-1.0	-51.71	293.50	0.46	-51.25
CCC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040361	0	36	-1.0	-48.35	288.78	2.27	-46.08
CC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040362	0	33	-1.0	-48.48	266.26	1.41	-47.07
O=C(C1=CC(=O)[N-]O1)N1CC2CCC1CN2C(=O)C1CC1	REAL250005040363	0	37	-1.0	-48.25	298.10	3.01	-45.24
COCC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040364	0	37	-1.0	-51.13	301.49	1.66	-49.47
CCCC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040365	0	39	-1.0	-48.14	310.27	3.05	-45.09
CC(C)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040366	0	39	-1.0	-48.92	306.65	2.71	-46.21
NC(=O)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040367	0	34	-1.0	-46.60	280.71	-2.42	-49.02
C=CCC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040368	0	37	-1.0	-48.54	301.68	2.82	-45.72
O=C(CO)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040369	0	34	-1.0	-52.80	279.24	-0.62	-53.42
CC(O)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040370	0	37	-1.0	-47.52	294.61	-0.08	-47.60
O=C(CCF)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040371	0	36	-1.0	-47.33	295.36	2.42	-44.91
C[C@@H](O)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040372	0	37	-1.0	-48.61	294.15	-0.14	-48.75
C[C@H](O)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040373	0	37	-1.0	-50.11	294.36	-0.08	-50.19
CC=CC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040374	0	37	-1.0	-48.32	301.49	2.85	-45.47
COCC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040375	0	37	-1.0	-51.13	301.49	1.66	-49.47
CCCC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040376	0	39	-1.0	-48.14	310.27	3.05	-45.09
CC(C)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040377	0	39	-1.0	-48.92	306.65	2.71	-46.21
CCC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040378	0	36	-1.0	-48.35	288.78	2.27	-46.08
CC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040379	0	33	-1.0	-48.48	266.26	1.41	-47.07
O=C(C1=CC(=O)[N-]O1)N1CC2CCC1CN2C(=O)C1CC1	REAL250005040380	0	37	-1.0	-48.25	298.10	3.01	-45.24
NC(=O)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040381	0	34	-1.0	-46.60	280.71	-2.42	-49.02
O=C(CO)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040382	0	34	-1.0	-52.80	279.24	-0.62	-53.42
CC(O)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040383	0	37	-1.0	-47.52	294.61	-0.08	-47.60
CC(=O)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040384	0	35	-1.0	-45.88	287.13	1.38	-44.50
CC=CC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040385	0	37	-1.0	-48.32	301.49	2.85	-45.47
C[C@H](O)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040386	0	37	-1.0	-50.11	294.36	-0.08	-50.19
C=CCC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040387	0	37	-1.0	-48.54	301.68	2.82	-45.72
N#CCC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040388	0	34	-1.0	-56.48	288.23	1.96	-54.52
O=C(CCF)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040389	0	36	-1.0	-47.33	295.36	2.42	-44.91
C[C@@H](O)C(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040390	0	37	-1.0	-48.61	294.15	-0.14	-48.75
C=CC(=O)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005040391	0	34	-1.0	-48.45	279.77	1.96	-46.49
CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL250005040392	0	37	-1.0	-53.38	296.80	0.14	-53.24
CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005040393	0	37	-1.0	-50.73	295.60	0.15	-50.58
CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005040394	0	38	-1.0	-51.06	309.94	1.29	-49.77
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005040395	0	35	-1.0	-50.93	289.26	0.32	-50.61
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC1	REAL250005040396	0	39	-1.0	-50.76	320.49	2.05	-48.71
COCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005040397	0	39	-1.0	-54.21	322.92	0.61	-53.60
CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005040398	0	41	-1.0	-50.66	331.05	1.90	-48.76
CC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005040399	0	41	-1.0	-50.65	329.74	1.93	-48.72
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C(N)=O	REAL250005040400	0	36	-1.0	-48.35	305.54	-3.40	-51.75
C=CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005040401	0	39	-1.0	-51.36	322.86	1.84	-49.52
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CO	REAL250005040402	0	36	-1.0	-55.82	300.66	-1.66	-57.48
CC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005040403	0	39	-1.0	-55.32	320.28	-0.84	-56.16
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CCF	REAL250005040404	0	38	-1.0	-49.66	316.15	1.28	-48.38
C[C@@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005040405	0	39	-1.0	-53.43	319.38	-0.64	-54.07
C[C@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005040406	0	39	-1.0	-55.15	321.42	-0.87	-56.02
CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005040407	0	39	-1.0	-50.72	323.38	1.75	-48.97
COCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040408	0	39	-1.0	-46.47	324.30	1.02	-45.45
CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040409	0	41	-1.0	-45.61	332.66	2.14	-43.47
CC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040410	0	41	-1.0	-45.60	326.35	1.73	-43.87
CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040411	0	38	-1.0	-43.96	311.58	1.61	-42.35
CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040412	0	35	-1.0	-46.04	289.41	0.53	-45.51
CC1(C)CN(C(=O)C2CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005040413	0	39	-1.0	-45.98	320.66	2.23	-43.75
CC1(C)CN(C(=O)C(N)=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005040414	0	36	-1.0	-46.47	305.51	-3.26	-49.73
CC1(C)CN(C(=O)CO)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005040415	0	36	-1.0	-48.05	302.05	-1.27	-49.32
CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040416	0	39	-1.0	-49.62	319.35	-0.90	-50.52
CC(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040417	0	37	-1.0	-45.13	312.92	0.54	-44.59
CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040418	0	39	-1.0	-45.33	326.04	2.02	-43.31
C[C@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040419	0	39	-1.0	-46.81	318.81	-1.09	-47.90
C=CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040420	0	39	-1.0	-44.08	324.49	2.15	-41.93
CC1(C)CN(C(=O)CC#N)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005040421	0	36	-1.0	-50.38	311.05	1.30	-49.08
CC1(C)CN(C(=O)CCF)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005040422	0	38	-1.0	-45.19	317.75	1.52	-43.67
C[C@@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040423	0	39	-1.0	-50.14	318.58	-0.73	-50.87
C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005040424	0	36	-1.0	-45.41	304.32	1.13	-44.28
CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040425	0	36	-1.0	-52.05	297.43	1.05	-51.00
CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040426	0	33	-1.0	-52.17	276.84	0.25	-51.92
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12)C1CC1	REAL250005040427	0	37	-1.0	-52.27	307.39	1.81	-50.46
COCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040428	0	37	-1.0	-55.51	310.15	0.42	-55.09
CCCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040429	0	39	-1.0	-51.94	318.93	1.82	-50.12
CC(C)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040430	0	39	-1.0	-51.78	316.97	1.72	-50.06
NC(=O)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040431	0	34	-1.0	-49.53	292.77	-3.62	-53.15
C=CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040432	0	37	-1.0	-52.13	310.34	1.59	-50.54
O=C(CO)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040433	0	34	-1.0	-57.16	287.90	-1.87	-59.03
CC(O)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040434	0	37	-1.0	-52.51	308.23	-1.08	-53.59
O=C(CCF)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040435	0	36	-1.0	-51.12	304.02	1.19	-49.93
C[C@@H](O)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040436	0	37	-1.0	-52.56	307.66	-1.09	-53.65
C[C@H](O)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040437	0	37	-1.0	-53.30	307.65	-1.10	-54.40
CC=CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL250005040438	0	37	-1.0	-52.08	311.00	1.65	-50.43
COCC(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040439	0	37	-1.0	-55.08	311.52	0.94	-54.14
CCCC(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040440	0	39	-1.0	-51.64	320.30	2.30	-49.34
CC(C)C(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040441	0	39	-1.0	-51.93	318.47	2.07	-49.86
CCC(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040442	0	36	-1.0	-48.30	300.64	1.18	-47.12
CC(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040443	0	33	-1.0	-52.07	277.54	0.68	-51.39
O=C(NCC1C2CN(C(=O)C3CC3)CC12)C1=CC(=O)[N-]O1	REAL250005040444	0	37	-1.0	-49.81	310.22	1.90	-47.91
NC(=O)C(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040445	0	34	-1.0	-47.66	292.90	-3.49	-51.15
O=C(CO)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040446	0	34	-1.0	-56.79	289.27	-1.34	-58.13
CC(O)C(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040447	0	37	-1.0	-54.20	308.20	-1.17	-55.37
CC(=O)C(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040448	0	35	-1.0	-46.70	299.71	0.31	-46.39
CC=CC(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040449	0	37	-1.0	-52.17	311.16	2.11	-50.06
C[C@H](O)C(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040450	0	37	-1.0	-48.48	306.96	-1.18	-49.66
C=CCC(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040451	0	37	-1.0	-51.63	311.71	2.08	-49.55
N#CCC(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040452	0	34	-1.0	-59.83	298.26	1.21	-58.62
O=C(CCF)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040453	0	36	-1.0	-50.12	305.39	1.68	-48.44
C[C@@H](O)C(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040454	0	37	-1.0	-49.87	308.11	-1.14	-51.01
C=CC(=O)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005040455	0	34	-1.0	-48.74	291.30	0.85	-47.89
CCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040456	0	39	-1.0	-49.25	318.25	-0.05	-49.30
CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040457	0	36	-1.0	-50.59	299.23	-0.37	-50.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CO)CCO1	REAL250005040458	0	37	-1.0	-54.07	308.74	-2.96	-57.03
CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005040459	0	39	-1.0	-46.20	315.08	-0.33	-46.53
CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005040460	0	36	-1.0	-46.44	294.79	-1.15	-47.59
CC(NC(=O)CO)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005040461	0	37	-1.0	-50.46	307.14	-2.66	-53.12
C=CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005040462	0	37	-1.0	-46.47	306.93	-0.60	-47.07
CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005040463	0	39	-1.0	-50.80	314.33	1.33	-49.47
CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005040464	0	39	-1.0	-48.97	310.69	1.68	-47.29
CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005040465	0	38	-1.0	-46.23	313.41	1.28	-44.95
CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005040466	0	35	-1.0	-47.04	292.94	0.45	-46.59
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC1	REAL250005040467	0	39	-1.0	-46.62	324.56	2.05	-44.57
COCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005040468	0	39	-1.0	-49.04	326.14	0.57	-48.47
CCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005040469	0	41	-1.0	-45.95	334.91	2.04	-43.91
CC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005040470	0	41	-1.0	-45.95	333.11	1.83	-44.12
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(N)=O	REAL250005040471	0	36	-1.0	-48.27	305.71	-3.46	-51.73
C=CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005040472	0	39	-1.0	-46.38	326.33	1.82	-44.56
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CO	REAL250005040473	0	36	-1.0	-50.46	303.88	-1.71	-52.17
CC(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005040474	0	39	-1.0	-47.50	321.98	-0.98	-48.48
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCF	REAL250005040475	0	38	-1.0	-46.00	320.01	1.42	-44.58
C[C@@H](O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005040476	0	39	-1.0	-47.26	319.10	-1.14	-48.40
C[C@H](O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005040477	0	39	-1.0	-50.39	322.62	-1.05	-51.44
CC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005040478	0	39	-1.0	-46.51	326.03	1.89	-44.62
COCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040479	0	39	-1.0	-50.30	324.23	0.60	-49.70
CCCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040480	0	41	-1.0	-47.42	333.01	2.00	-45.42
CC(C)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040481	0	41	-1.0	-47.30	331.06	1.90	-45.40
CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040482	0	38	-1.0	-47.64	311.51	1.24	-46.40
CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040483	0	35	-1.0	-47.99	290.91	0.42	-47.57
CC1CC(CNC(=O)C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005040484	0	39	-1.0	-48.01	322.21	1.95	-46.06
CC1CC(CNC(=O)C(N)=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005040485	0	36	-1.0	-50.98	306.85	-3.44	-54.42
CC1CC(CNC(=O)CO)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005040486	0	36	-1.0	-51.71	301.98	-1.68	-53.39
CC(O)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040487	0	39	-1.0	-48.87	322.30	-0.91	-49.78
CC(=O)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040488	0	37	-1.0	-49.21	314.25	0.37	-48.84
CC=CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040489	0	39	-1.0	-48.07	325.08	1.84	-46.23
C[C@H](O)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040490	0	39	-1.0	-51.11	322.65	-0.93	-52.04
C=CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040491	0	39	-1.0	-47.92	324.42	1.78	-46.14
CC1CC(CNC(=O)CC#N)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005040492	0	36	-1.0	-54.35	310.97	0.91	-53.44
CC1CC(CNC(=O)CCF)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005040493	0	38	-1.0	-47.56	318.10	1.38	-46.18
C[C@@H](O)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040494	0	39	-1.0	-47.82	322.31	-0.91	-48.73
C=CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040495	0	36	-1.0	-48.18	303.36	0.95	-47.23
CCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040496	0	38	-1.0	-45.38	309.85	0.77	-44.61
CC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040497	0	35	-1.0	-49.01	293.99	-0.47	-49.48
O=C(NC1CCCC(NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005040498	0	39	-1.0	-45.36	320.36	1.54	-43.82
COCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040499	0	39	-1.0	-51.94	327.00	-0.29	-52.23
CCCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040500	0	41	-1.0	-45.15	331.35	1.53	-43.62
CC(C)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040501	0	41	-1.0	-48.28	333.83	1.02	-47.26
NC(=O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040502	0	36	-1.0	-47.87	305.20	-3.90	-51.77
C=CCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040503	0	39	-1.0	-45.47	322.76	1.31	-44.16
O=C(CO)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040504	0	36	-1.0	-53.53	304.75	-2.57	-56.10
CC(O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040505	0	39	-1.0	-46.05	320.65	-1.37	-47.42
O=C(CCF)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040506	0	38	-1.0	-45.08	316.44	0.91	-44.17
C[C@@H](O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040507	0	39	-1.0	-53.07	325.42	-1.81	-54.88
C[C@H](O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040508	0	39	-1.0	-48.84	320.19	-1.35	-50.19
CC=CC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040509	0	39	-1.0	-45.64	323.42	1.39	-44.25
COCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040510	0	39	-1.0	-51.94	327.00	-0.29	-52.23
CCCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040511	0	41	-1.0	-45.15	331.35	1.53	-43.62
CC(C)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040512	0	41	-1.0	-48.28	333.83	1.02	-47.26
CCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040513	0	38	-1.0	-45.38	309.85	0.77	-44.61
CC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040514	0	35	-1.0	-49.01	293.99	-0.47	-49.48
O=C(NC1CCCC(NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005040515	0	39	-1.0	-45.36	320.36	1.54	-43.82
NC(=O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040516	0	36	-1.0	-47.87	305.20	-3.90	-51.77
O=C(CO)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040517	0	36	-1.0	-53.53	304.75	-2.57	-56.10
CC(O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040518	0	39	-1.0	-46.05	320.65	-1.37	-47.42
CC(=O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040519	0	37	-1.0	-46.30	312.59	-0.09	-46.39
CC=CC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040520	0	39	-1.0	-45.64	323.42	1.39	-44.25
C[C@H](O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040521	0	39	-1.0	-48.84	320.19	-1.35	-50.19
C=CCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040522	0	39	-1.0	-45.47	322.76	1.31	-44.16
N#CCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040523	0	36	-1.0	-57.96	313.74	0.02	-57.94
O=C(CCF)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040524	0	38	-1.0	-45.08	316.44	0.91	-44.17
C[C@@H](O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040525	0	39	-1.0	-53.07	325.42	-1.81	-54.88
C=CC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040526	0	36	-1.0	-45.81	301.70	0.51	-45.30
CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005040527	0	39	-1.0	-52.40	314.51	2.51	-49.89
CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005040528	0	36	-1.0	-53.05	292.08	1.75	-51.30
O=C(CO)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005040529	0	37	-1.0	-56.48	304.98	-0.36	-56.84
CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005040530	0	39	-1.0	-57.96	316.07	2.69	-55.27
CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005040531	0	36	-1.0	-48.21	294.22	1.82	-46.39
O=C(CO)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005040532	0	37	-1.0	-63.51	306.56	-0.19	-63.70
C=CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005040533	0	37	-1.0	-48.42	306.90	2.38	-46.04
CC(=O)N1C[C@]2(C)CN(C(=O)C3=CC(=O)[N-]O3)C[C@]2(C)C1	REAL250005040534	0	39	-1.0	-58.66	305.69	1.81	-56.85
CC(=O)N1C[C@]2(C)CN(C(=O)C3=CC(=O)[N-]O3)C[C@]2(C)C1	REAL250005040535	0	39	-1.0	-58.66	305.69	1.81	-56.85
CCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040536	0	35	-1.0	-48.40	300.45	-0.27	-48.67
COCCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040537	0	39	-1.0	-48.28	334.19	-1.21	-49.49
CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040538	0	32	-1.0	-48.70	279.92	-1.07	-49.77
O=C(NC[C@@H]1C[C@@H](NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005040539	0	36	-1.0	-48.20	310.97	0.50	-47.70
O=C(NC[C@@H]1C[C@@H](NC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005040540	0	39	-1.0	-48.08	327.17	0.99	-47.09
O=C(CC1CC1)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040541	0	39	-1.0	-48.46	331.38	1.26	-47.20
CC(C)(F)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040542	0	38	-1.0	-46.30	327.28	0.40	-45.90
COCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040543	0	36	-1.0	-51.52	313.17	-0.91	-52.43
CCCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040544	0	38	-1.0	-48.25	321.99	0.50	-47.75
CC(C)CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040545	0	41	-1.0	-47.81	338.76	1.07	-46.74
CC1CC1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040546	0	39	-1.0	-48.14	332.34	1.16	-46.98
CCOCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040547	0	39	-1.0	-51.60	335.07	0.04	-51.56
CC(C)=CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040548	0	39	-1.0	-47.48	329.95	1.04	-46.44
CSCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040549	0	36	-1.0	-50.63	323.51	0.15	-50.48
CCCCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040550	0	41	-1.0	-48.30	343.52	1.27	-47.03
CC(C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040551	0	38	-1.0	-48.12	320.05	0.41	-47.71
CCC(C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040552	0	41	-1.0	-47.98	338.17	1.04	-46.94
COC(C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040553	0	39	-1.0	-51.29	332.96	-0.20	-51.49
C=CCCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040554	0	39	-1.0	-48.18	334.76	1.05	-47.13
CC=C(C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040555	0	39	-1.0	-48.57	328.83	1.03	-47.54
CC1(C(=O)N[C@H]2C[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005040556	0	39	-1.0	-48.05	328.76	1.11	-46.94
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040557	0	39	-1.0	-48.12	332.34	1.17	-46.95
CCC(F)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040558	0	38	-1.0	-49.41	328.26	0.53	-48.88
O=C(CCCF)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040559	0	38	-1.0	-50.84	328.56	0.64	-50.20
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040560	0	39	-1.0	-48.11	332.34	1.17	-46.94
NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040561	0	33	-1.0	-47.44	295.86	-4.93	-52.37
CC(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040562	0	41	-1.0	-48.03	338.95	0.97	-47.06
C=CCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040563	0	36	-1.0	-48.66	313.38	0.28	-48.38
C[NH+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040564	0	41	0.0	-70.84	336.03	0.45	-70.39
CN(C)CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040564	1	40	-1.0	-48.73	334.02	-1.93	-50.66
C=CC(O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040565	0	37	-1.0	-48.91	324.45	-1.88	-50.79
O=C(NC[C@@H]1C[C@@H](NC(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005040566	0	37	-1.0	-48.89	317.80	-1.77	-50.66
CO[C@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040567	0	39	-1.0	-51.45	332.95	-0.21	-51.66
CCC=CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040568	0	39	-1.0	-48.23	335.11	1.11	-47.12
O=C(CO)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040570	0	33	-1.0	-53.14	290.91	-3.20	-56.34
CC(O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040571	0	36	-1.0	-49.49	311.27	-2.42	-51.91
O=C(NC[C@@H]1C[C@@H](NC(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005040572	0	36	-1.0	-47.01	317.76	0.60	-46.41
O=C(CCF)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040573	0	35	-1.0	-47.76	307.04	-0.13	-47.89
O=C(C=CCF)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040574	0	36	-1.0	-50.59	320.29	0.47	-50.12
C#CCCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040575	0	37	-1.0	-48.43	327.72	1.02	-47.41
O=C(NC[C@@H]1C[C@@H](NC(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005040576	0	37	-1.0	-52.86	318.93	-0.65	-53.51
CC(C)(O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040577	0	39	-1.0	-47.08	330.92	-2.84	-49.92
CC1=CC1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040578	0	37	-1.0	-49.03	326.02	1.21	-47.82
C[C@@H](O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040579	0	36	-1.0	-49.49	311.25	-2.42	-51.91
O=C(C=CCO)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040580	0	37	-1.0	-51.83	325.15	-3.01	-54.84
O=C(N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005040581	0	37	-1.0	-49.02	321.45	1.09	-47.93
CON=CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040582	0	36	-1.0	-51.29	322.98	-1.68	-52.97
O=C(NC[C@@H]1C[C@@H](NC(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005040583	0	36	-1.0	-46.67	317.16	0.56	-46.11
CC=C(F)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040584	0	36	-1.0	-46.15	319.00	0.43	-45.72
CC(CO)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040585	0	39	-1.0	-48.23	330.58	-2.88	-51.11
C[C@H](O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040586	0	36	-1.0	-49.49	311.25	-2.42	-51.91
C=C1CC1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040587	0	37	-1.0	-48.40	324.56	1.07	-47.33
CC(CF)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040588	0	38	-1.0	-47.26	325.98	0.54	-46.72
C=C(C)CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040589	0	39	-1.0	-48.27	334.97	0.93	-47.34
CC=CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040590	0	36	-1.0	-48.44	314.02	0.35	-48.09
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040591	0	39	-1.0	-48.12	332.34	1.17	-46.95
O=C(NC[C@@H]1C[C@@H](NC(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005040592	0	37	-1.0	-47.93	319.28	-2.56	-50.49
O=C(CC1CC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040593	0	39	-1.0	-47.12	331.44	1.27	-45.85
CC(C)(F)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040594	0	38	-1.0	-45.93	327.28	0.40	-45.53
COCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040595	0	36	-1.0	-50.06	313.25	-0.89	-50.95
CCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040596	0	38	-1.0	-46.92	321.94	0.51	-46.41
CC(C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040597	0	41	-1.0	-46.47	338.67	1.09	-45.38
CC1CC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040598	0	39	-1.0	-46.94	332.35	1.18	-45.76
CCOCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040599	0	39	-1.0	-50.06	335.02	0.06	-50.00
CC(C)=CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040600	0	39	-1.0	-46.47	329.94	1.05	-45.42
CSCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040601	0	36	-1.0	-49.15	323.57	0.16	-48.99
CCCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040602	0	41	-1.0	-46.92	343.44	1.29	-45.63
CC(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040603	0	38	-1.0	-46.75	320.06	0.41	-46.34
CCC(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040604	0	41	-1.0	-46.62	338.11	1.06	-45.56
COC(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040605	0	39	-1.0	-49.81	332.15	-0.13	-49.94
C=CCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040606	0	39	-1.0	-46.93	334.82	1.07	-45.86
CC(C#N)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040607	0	36	-1.0	-53.24	319.43	0.04	-53.20
CC=C(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040608	0	39	-1.0	-47.28	328.76	1.02	-46.26
CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040609	0	35	-1.0	-47.16	300.45	-0.26	-47.42
COCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040610	0	39	-1.0	-47.18	334.11	-1.19	-48.37
CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040611	0	32	-1.0	-47.42	279.93	-1.06	-48.48
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005040612	0	36	-1.0	-47.04	310.96	0.51	-46.53
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005040613	0	39	-1.0	-46.77	327.24	1.00	-45.77
NC(=O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040614	0	33	-1.0	-47.70	295.80	-4.93	-52.63
CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040615	0	41	-1.0	-46.65	338.89	0.98	-45.67
CC1(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005040616	0	39	-1.0	-46.81	328.70	1.11	-45.70
C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040617	0	39	-1.0	-46.91	332.35	1.17	-45.74
CCC(F)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040618	0	38	-1.0	-47.63	328.26	0.54	-47.09
O=C(CCCF)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040619	0	38	-1.0	-49.32	328.59	0.64	-48.68
C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040620	0	39	-1.0	-46.88	332.40	1.17	-45.71
O=C(CO)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040621	0	33	-1.0	-51.62	290.91	-3.18	-54.80
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005040622	0	37	-1.0	-50.86	319.43	-0.73	-51.59
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005040623	0	37	-1.0	-47.75	317.81	-1.75	-49.50
O=C(C=CCO)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040624	0	37	-1.0	-50.25	325.12	-3.01	-53.26
CCC=CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040625	0	39	-1.0	-47.04	335.12	1.11	-45.93
C#CCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040626	0	37	-1.0	-47.24	327.73	1.03	-46.21
C=CC(O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040627	0	37	-1.0	-47.47	324.45	-1.85	-49.32
CC(O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040628	0	36	-1.0	-47.94	311.25	-2.39	-50.33
CC(=O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040629	0	34	-1.0	-46.43	302.72	-1.12	-47.55
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005040630	0	36	-1.0	-46.11	317.41	0.55	-45.56
CC=C(F)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040631	0	36	-1.0	-45.76	318.98	0.42	-45.34
CC(CO)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040632	0	39	-1.0	-47.22	330.58	-2.87	-50.09
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005040633	0	37	-1.0	-47.20	319.34	-2.56	-49.76
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005040634	0	37	-1.0	-47.85	321.46	1.09	-46.76
CC(CF)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040635	0	38	-1.0	-46.12	325.97	0.55	-45.57
CC=CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040636	0	36	-1.0	-47.30	314.09	0.35	-46.95
O=C(C=CCF)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040637	0	36	-1.0	-48.91	320.28	0.47	-48.44
C[C@H](O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040639	0	36	-1.0	-47.89	311.24	-2.39	-50.28
CON=CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040640	0	36	-1.0	-50.01	322.92	-1.69	-51.70
C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040641	0	39	-1.0	-46.91	332.35	1.17	-45.74
CC(C)(O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040642	0	39	-1.0	-46.24	330.92	-2.83	-49.07
C=C(C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040643	0	39	-1.0	-47.03	335.00	0.93	-46.10
C=CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040644	0	36	-1.0	-47.30	313.38	0.27	-47.03
C[NH+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040645	0	41	0.0	-69.12	336.10	0.46	-68.66
CN(C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040645	1	40	-1.0	-47.41	334.01	-1.93	-49.34
N#CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040646	0	33	-1.0	-55.22	299.92	-0.60	-55.82
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005040647	0	36	-1.0	-46.63	317.84	0.61	-46.02
O=C(CCF)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040648	0	35	-1.0	-46.64	307.04	-0.12	-46.76
CO[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040649	0	39	-1.0	-49.75	332.95	-0.20	-49.95
C[C@@H](O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040650	0	36	-1.0	-47.95	311.24	-2.40	-50.35
C=C1CC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040651	0	37	-1.0	-47.25	324.58	1.06	-46.19
CC1=CC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040652	0	37	-1.0	-47.86	326.01	1.21	-46.65
C=CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040653	0	33	-1.0	-47.50	292.30	-0.54	-48.04
CCC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040654	0	37	-1.0	-48.08	315.65	0.20	-47.88
COCCC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040655	0	41	-1.0	-48.07	349.33	-0.73	-48.80
CC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040656	0	34	-1.0	-48.47	295.35	-0.61	-49.08
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005040657	0	38	-1.0	-47.87	326.17	0.96	-46.91
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005040658	0	41	-1.0	-47.69	342.38	1.48	-46.21
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005040659	0	41	-1.0	-48.12	346.59	1.73	-46.39
COCC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040660	0	38	-1.0	-51.20	328.37	-0.44	-51.64
CCCC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040661	0	40	-1.0	-47.92	337.15	0.96	-46.96
CC(C)CC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040662	0	43	-1.0	-47.32	353.88	1.56	-45.76
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005040663	0	41	-1.0	-47.85	347.55	1.64	-46.21
CCOCC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040664	0	41	-1.0	-51.21	350.23	0.52	-50.69
CC(C)=CC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040665	0	41	-1.0	-47.16	344.97	1.50	-45.66
CCCCC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040666	0	43	-1.0	-47.98	358.65	1.74	-46.24
CC(C)C(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040667	0	40	-1.0	-47.79	335.20	0.86	-46.93
CCC(C)C(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040668	0	43	-1.0	-47.68	353.33	1.51	-46.17
COC(C)C(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040669	0	41	-1.0	-51.10	347.36	0.31	-50.79
C=CCCC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040670	0	41	-1.0	-47.76	349.96	1.52	-46.24
CC=C(C)C(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040671	0	41	-1.0	-48.21	343.96	1.49	-46.72
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005040672	0	41	-1.0	-47.73	343.92	1.57	-46.16
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005040673	0	41	-1.0	-47.84	347.55	1.64	-46.20
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005040674	0	41	-1.0	-47.79	347.54	1.63	-46.16
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005040675	0	35	-1.0	-47.70	311.00	-4.47	-52.17
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005040676	0	43	-1.0	-47.63	354.09	1.42	-46.21
C=CCC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040677	0	38	-1.0	-48.14	328.57	0.74	-47.40
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005040678	0	43	0.0	-68.88	351.24	0.92	-67.96
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005040678	1	42	-1.0	-48.40	349.16	-1.46	-49.86
C=CC(O)C(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040679	0	39	-1.0	-48.33	339.66	-1.40	-49.73
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005040680	0	39	-1.0	-48.91	333.01	-1.30	-50.21
CO[C@H](C)C(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040681	0	41	-1.0	-50.89	348.16	0.25	-50.64
CCC=CC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040682	0	41	-1.0	-47.94	350.31	1.57	-46.37
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005040684	0	35	-1.0	-52.74	306.12	-2.72	-55.46
CC(O)C(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040685	0	38	-1.0	-49.23	326.45	-1.94	-51.17
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005040686	0	38	-1.0	-47.19	332.96	1.06	-46.13
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005040687	0	37	-1.0	-47.56	322.24	0.33	-47.23
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005040688	0	38	-1.0	-49.80	335.41	0.93	-48.87
C#CCCC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040689	0	39	-1.0	-48.24	342.93	1.48	-46.76
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005040690	0	39	-1.0	-52.27	334.13	-0.19	-52.46
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005040691	0	41	-1.0	-46.90	346.13	-2.39	-49.29
CC1=CC1C(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040692	0	39	-1.0	-48.84	341.22	1.67	-47.17
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005040693	0	38	-1.0	-52.29	326.79	-1.97	-54.26
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005040694	0	39	-1.0	-51.19	340.33	-2.55	-53.74
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005040695	0	39	-1.0	-48.70	336.65	1.54	-47.16
CON=CC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040696	0	38	-1.0	-51.19	338.11	-1.22	-52.41
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005040697	0	38	-1.0	-45.98	332.37	1.02	-44.96
CC=C(F)C(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040698	0	38	-1.0	-46.13	334.20	0.88	-45.25
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CO	REAL250005040699	0	41	-1.0	-48.22	345.79	-2.43	-50.65
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005040700	0	38	-1.0	-52.32	325.99	-1.92	-54.24
C=C1CC1C(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040701	0	39	-1.0	-48.23	339.74	1.53	-46.70
C=C(C)CC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040702	0	41	-1.0	-48.06	350.18	1.39	-46.67
CC=CC(=O)NC(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040703	0	38	-1.0	-48.17	329.22	0.81	-47.36
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005040704	0	41	-1.0	-47.84	347.55	1.64	-46.20
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005040705	0	39	-1.0	-47.88	334.49	-2.11	-49.99
CC(CCCNC(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040706	0	41	-1.0	-47.52	346.59	1.74	-45.78
COCC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040707	0	38	-1.0	-50.34	328.37	-0.43	-50.77
CCCC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040708	0	40	-1.0	-47.32	337.15	0.97	-46.35
CC(C)CC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040709	0	43	-1.0	-46.80	353.87	1.55	-45.25
CC(CCCNC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040710	0	41	-1.0	-47.42	347.55	1.64	-45.78
CCOCC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040711	0	41	-1.0	-50.31	350.23	0.53	-49.78
CC(C)=CC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040712	0	41	-1.0	-47.05	344.97	1.52	-45.53
CCCCC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040713	0	43	-1.0	-47.28	358.65	1.75	-45.53
CC(C)C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040714	0	40	-1.0	-47.09	335.20	0.88	-46.21
CCC(C)C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040715	0	43	-1.0	-47.02	353.33	1.52	-45.50
COC(C)C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040716	0	41	-1.0	-50.10	347.36	0.33	-49.77
C=CCCC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040717	0	41	-1.0	-47.15	349.96	1.53	-45.62
CC(C#N)C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040718	0	38	-1.0	-52.95	334.63	0.50	-52.45
CC=C(C)C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040719	0	41	-1.0	-47.80	343.97	1.48	-46.32
CCC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040720	0	37	-1.0	-47.51	315.65	0.20	-47.31
COCCC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040721	0	41	-1.0	-47.52	349.33	-0.73	-48.25
CC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040722	0	34	-1.0	-47.89	295.34	-0.61	-48.50
CC(CCCNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040723	0	38	-1.0	-47.47	326.17	0.98	-46.49
CC(CCCNC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040724	0	41	-1.0	-47.17	342.38	1.48	-45.69
CC(CCCNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040725	0	35	-1.0	-48.61	311.00	-4.47	-53.08
CC(CCCNC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040726	0	43	-1.0	-46.92	354.09	1.44	-45.48
CC(CCCNC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040727	0	41	-1.0	-47.26	343.92	1.58	-45.68
CC(CCCNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040728	0	41	-1.0	-47.44	347.55	1.65	-45.79
CC(CCCNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040729	0	41	-1.0	-47.34	347.56	1.64	-45.70
CC(CCCNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005040730	0	35	-1.0	-51.84	306.12	-2.72	-54.56
CC(CCCNC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040731	0	39	-1.0	-50.29	333.18	-0.25	-50.54
CC(CCCNC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040732	0	39	-1.0	-47.94	333.01	-1.29	-49.23
CC(CCCNC(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005040733	0	39	-1.0	-50.53	340.33	-2.55	-53.08
CCC=CC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040734	0	41	-1.0	-47.57	350.31	1.57	-46.00
C#CCCC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040735	0	39	-1.0	-47.66	342.93	1.49	-46.17
C=CC(O)C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040736	0	39	-1.0	-48.05	337.01	-1.20	-49.25
CC(O)C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040737	0	38	-1.0	-47.98	326.45	-1.93	-49.91
CC(=O)C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040738	0	36	-1.0	-47.21	317.91	-0.66	-47.87
CC(CCCNC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040739	0	38	-1.0	-46.92	332.23	1.05	-45.87
CC=C(F)C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040740	0	38	-1.0	-46.56	334.19	0.88	-45.68
CC(CCCNC(=O)C(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005040741	0	41	-1.0	-47.77	345.79	-2.41	-50.18
CC(CCCNC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040742	0	39	-1.0	-47.30	334.49	-2.10	-49.40
CC(CCCNC(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040743	0	39	-1.0	-48.35	336.65	1.55	-46.80
CC=CC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040744	0	38	-1.0	-47.81	329.22	0.81	-47.00
CC(CCCNC(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005040745	0	38	-1.0	-49.07	335.41	0.93	-48.14
CC(CCCNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040747	0	38	-1.0	-47.99	326.45	-1.93	-49.92
CON=CC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040748	0	38	-1.0	-50.20	338.12	-1.22	-51.42
CC(CCCNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040749	0	41	-1.0	-47.44	347.55	1.65	-45.79
CC(CCCNC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040750	0	41	-1.0	-46.94	346.13	-2.37	-49.31
C=C(C)CC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040751	0	41	-1.0	-47.40	350.21	1.41	-45.99
C=CCC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040752	0	38	-1.0	-47.53	328.56	0.75	-46.78
CC(CCCNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040753	0	43	0.0	-67.03	351.24	0.92	-66.11
CC(CCCNC(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040753	1	42	-1.0	-47.78	349.16	-1.46	-49.24
CC(CCCNC(=O)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005040754	0	35	-1.0	-54.89	315.11	-0.13	-55.02
CC(CCCNC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005040755	0	38	-1.0	-46.86	332.96	1.07	-45.79
CC(CCCNC(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005040756	0	37	-1.0	-46.93	322.24	0.34	-46.59
CO[C@H](C)C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040757	0	41	-1.0	-49.96	348.16	0.28	-49.68
CC(CCCNC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040758	0	38	-1.0	-48.41	326.45	-1.93	-50.34
C=C1CC1C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040759	0	39	-1.0	-47.75	339.74	1.54	-46.21
CC1=CC1C(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040760	0	39	-1.0	-48.32	341.18	1.68	-46.64
C=CC(=O)NCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040761	0	35	-1.0	-47.97	307.50	-0.07	-48.04
CCC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040762	0	38	-1.0	-51.18	321.64	-0.13	-51.31
CC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040763	0	35	-1.0	-51.48	301.35	-0.95	-52.43
CN(CCOCCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005040764	0	39	-1.0	-51.12	333.15	0.55	-50.57
CCCC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040765	0	41	-1.0	-51.00	343.14	0.64	-50.36
CC(C)C(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040766	0	41	-1.0	-50.81	341.20	0.54	-50.27
C=CCC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040767	0	39	-1.0	-51.25	334.55	0.41	-50.84
CN(CCOCCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005040768	0	36	-1.0	-56.02	312.11	-3.05	-59.07
CC=CC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040769	0	39	-1.0	-51.19	335.22	0.48	-50.71
CCCC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040770	0	41	-1.0	-55.28	345.65	1.15	-54.13
CC(C)C(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040771	0	41	-1.0	-55.46	338.79	0.75	-54.71
CCC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040772	0	38	-1.0	-55.18	324.16	0.38	-54.80
CC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040773	0	35	-1.0	-51.12	302.41	-0.98	-52.10
CN(CCOCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005040774	0	39	-1.0	-46.60	335.79	0.63	-45.97
CN(CCOCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005040775	0	36	-1.0	-60.67	314.62	-2.60	-63.27
CC(=O)C(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040776	0	37	-1.0	-46.23	325.06	-0.91	-47.14
CC=CC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040777	0	39	-1.0	-46.97	338.10	0.51	-46.46
C=CCC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040778	0	39	-1.0	-55.19	337.07	0.92	-54.27
CN(CCOCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005040779	0	36	-1.0	-65.59	323.61	0.06	-65.53
C=CC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040780	0	36	-1.0	-47.11	316.37	-0.37	-47.48
CCC(=O)NCC[C@@H](NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040781	0	40	-1.0	-53.61	324.51	0.51	-53.10
CC(=O)NCC[C@@H](NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040782	0	37	-1.0	-53.68	308.14	-0.09	-53.77
CC(C)[C@@H](CCNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040783	0	41	-1.0	-53.42	335.02	1.27	-52.15
COCC(=O)NCC[C@@H](NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040784	0	41	-1.0	-57.41	336.50	0.19	-57.22
CCCC(=O)NCC[C@@H](NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040785	0	43	-1.0	-53.43	346.00	1.28	-52.15
CC(C)C(=O)NCC[C@@H](NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040786	0	43	-1.0	-53.37	344.06	1.18	-52.19
CC(C)[C@@H](CCNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040787	0	38	-1.0	-49.92	319.12	-3.84	-53.76
C=CCC(=O)NCC[C@@H](NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040788	0	41	-1.0	-53.85	337.42	1.05	-52.80
CC(C)[C@@H](CCNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005040789	0	38	-1.0	-58.85	314.97	-2.41	-61.26
CC(C)[C@@H](CCNC(=O)C(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040790	0	41	-1.0	-54.40	339.24	-1.40	-55.80
CC(C)[C@@H](CCNC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040791	0	41	-1.0	-54.03	339.23	-1.41	-55.44
CC(C)[C@@H](CCNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040792	0	41	-1.0	-54.49	335.30	-1.62	-56.11
CC=CC(=O)NCC[C@@H](NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040793	0	41	-1.0	-53.66	338.08	1.12	-52.54
COCC(=O)N[C@H](CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040794	0	41	-1.0	-50.30	337.23	-0.24	-50.54
CCCC(=O)N[C@H](CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040795	0	43	-1.0	-47.53	349.93	1.47	-46.06
CC(C)C(=O)N[C@H](CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040796	0	43	-1.0	-46.83	344.07	1.17	-45.66
CCC(=O)N[C@H](CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040797	0	40	-1.0	-47.17	324.51	0.49	-46.68
CC(=O)N[C@H](CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040798	0	37	-1.0	-47.53	303.92	-0.31	-47.84
CC(C)[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005040799	0	41	-1.0	-47.15	335.04	1.27	-45.88
CC(C)[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005040800	0	38	-1.0	-47.56	319.13	-3.84	-51.40
CC(C)[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005040801	0	38	-1.0	-51.71	314.98	-2.52	-54.23
CC(C)[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)O	REAL250005040802	0	41	-1.0	-47.73	335.31	-1.75	-49.48
CC(=O)C(=O)N[C@H](CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040803	0	39	-1.0	-46.28	330.70	-0.16	-46.44
CC=CC(=O)N[C@H](CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040804	0	41	-1.0	-47.39	338.07	1.12	-46.27
CC(C)[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005040805	0	41	-1.0	-47.73	335.31	-1.75	-49.48
C=CCC(=O)N[C@H](CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040806	0	41	-1.0	-47.27	337.42	1.04	-46.23
CC(C)[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC#N	REAL250005040807	0	38	-1.0	-55.42	323.96	0.18	-55.24
CC(C)[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005040808	0	41	-1.0	-48.46	335.31	-1.75	-50.21
C=CC(=O)N[C@H](CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005040809	0	38	-1.0	-47.99	320.29	0.45	-47.54
CCC(=O)NCCOCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040810	0	38	-1.0	-48.36	329.85	-1.49	-49.85
CC(=O)NCCOCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040811	0	35	-1.0	-48.65	309.56	-2.31	-50.96
O=C(NCCCOCCNC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005040812	0	39	-1.0	-48.30	340.37	-0.72	-49.02
CCCC(=O)NCCOCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040813	0	41	-1.0	-48.17	351.35	-0.73	-48.90
CC(C)C(=O)NCCOCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040814	0	41	-1.0	-47.97	349.40	-0.82	-48.79
C=CCC(=O)NCCOCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040815	0	39	-1.0	-48.37	342.76	-0.95	-49.32
O=C(CO)NCCOCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040816	0	36	-1.0	-52.88	320.32	-4.41	-57.29
CC=CC(=O)NCCOCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040817	0	39	-1.0	-48.47	343.42	-0.89	-49.36
CCCC(=O)NCCCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040818	0	41	-1.0	-48.47	351.35	-0.72	-49.19
CC(C)C(=O)NCCCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040819	0	41	-1.0	-48.29	349.39	-0.81	-49.10
CCC(=O)NCCCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040820	0	38	-1.0	-48.65	329.85	-1.48	-50.13
CC(=O)NCCCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040821	0	35	-1.0	-49.00	309.54	-2.29	-51.29
O=C(NCCOCCCNC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005040822	0	39	-1.0	-48.57	340.36	-0.71	-49.28
O=C(CO)NCCCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040823	0	36	-1.0	-53.11	320.32	-4.40	-57.51
CC(=O)C(=O)NCCCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040824	0	37	-1.0	-47.68	331.60	-2.36	-50.04
CC=CC(=O)NCCCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040825	0	39	-1.0	-48.81	343.42	-0.88	-49.69
C=CCC(=O)NCCCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040826	0	39	-1.0	-48.76	342.76	-0.94	-49.70
N#CCC(=O)NCCCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040827	0	36	-1.0	-56.41	329.31	-1.82	-58.23
C=CC(=O)NCCCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005040828	0	36	-1.0	-48.99	321.70	-1.76	-50.75
CCC(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040829	0	38	-1.0	-46.51	313.18	1.97	-44.54
CC(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040830	0	35	-1.0	-46.65	297.76	1.44	-45.21
CN(C(=O)C1CC1)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040831	0	39	-1.0	-46.46	323.61	2.69	-43.77
COCC(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040832	0	39	-1.0	-49.70	325.90	1.33	-48.37
CCCC(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040833	0	41	-1.0	-46.44	334.68	2.73	-43.71
CC(C)C(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040834	0	41	-1.0	-47.43	327.62	2.54	-44.89
CN(C(=O)C(N)=O)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040835	0	36	-1.0	-45.94	312.28	-2.33	-48.27
C=CCC(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040836	0	39	-1.0	-46.98	326.09	2.51	-44.47
CN(C(=O)CO)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040837	0	36	-1.0	-51.46	309.46	-0.64	-52.10
CC(O)C(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040838	0	39	-1.0	-51.06	318.24	0.16	-50.90
CN(C(=O)CCF)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040839	0	38	-1.0	-45.81	319.78	2.11	-43.70
C[C@@H](O)C(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040840	0	39	-1.0	-48.52	321.51	-0.28	-48.80
C[C@H](O)C(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040841	0	39	-1.0	-50.35	323.94	-0.26	-50.61
CC=CC(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005040842	0	39	-1.0	-47.08	331.74	2.87	-44.21
COCC(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040843	0	39	-1.0	-46.03	328.24	1.53	-44.50
CCCC(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040844	0	41	-1.0	-43.66	337.01	2.93	-40.73
CC(C)C(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040845	0	41	-1.0	-43.56	335.07	2.82	-40.74
CCC(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040846	0	38	-1.0	-43.81	315.51	2.17	-41.64
CC(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040847	0	35	-1.0	-43.75	293.97	1.18	-42.57
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CC1)C1CC1	REAL250005040848	0	39	-1.0	-43.78	324.67	2.72	-41.06
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C(N)=O)C1CC1	REAL250005040849	0	36	-1.0	-49.22	310.86	-2.51	-51.73
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CO)C1CC1	REAL250005040850	0	36	-1.0	-47.19	305.98	-0.75	-47.94
CC(O)C(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040851	0	39	-1.0	-46.67	325.85	0.04	-46.63
CC(=O)C(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040852	0	37	-1.0	-47.19	317.26	1.29	-45.90
CC=CC(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040853	0	39	-1.0	-44.52	329.09	2.77	-41.75
C[C@H](O)C(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040854	0	39	-1.0	-43.61	325.08	-0.15	-43.76
C=CCC(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040855	0	39	-1.0	-44.02	328.43	2.71	-41.31
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC#N)C1CC1	REAL250005040856	0	36	-1.0	-48.90	314.98	1.84	-47.06
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CCF)C1CC1	REAL250005040857	0	38	-1.0	-43.87	322.10	2.31	-41.56
C[C@@H](O)C(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040858	0	39	-1.0	-43.99	326.32	0.02	-43.97
C=CC(=O)NCC(C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005040859	0	36	-1.0	-44.62	307.36	1.88	-42.74
CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040860	0	34	-1.0	-48.28	287.17	0.94	-47.34
COCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040861	0	38	-1.0	-48.53	320.84	0.02	-48.51
CC(CN(C)C(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040862	0	35	-1.0	-50.36	295.97	1.79	-48.57
CC(CN(C)C(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040863	0	38	-1.0	-48.18	312.33	2.14	-46.04
CC(CN(C)C(=O)C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040864	0	41	-1.0	-50.90	326.15	2.75	-48.15
CC(CN(C)C(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040865	0	38	-1.0	-50.89	316.20	2.60	-48.29
CC(CN(C)C(=O)C(C)(C)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005040866	0	37	-1.0	-46.00	306.84	1.29	-44.71
CC(CN(C)C(=O)C(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005040867	0	34	-1.0	-46.40	294.73	1.16	-45.24
COCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040868	0	35	-1.0	-51.48	299.89	0.33	-51.15
CCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040869	0	37	-1.0	-48.21	308.67	1.71	-46.50
CC(CN(C)C(=O)C1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040870	0	35	-1.0	-49.29	302.97	1.34	-47.95
CC(=O)NCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040871	0	38	-1.0	-51.37	325.55	-1.42	-52.79
CC(C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040872	0	40	-1.0	-47.82	325.39	2.31	-45.51
CC(CN(C)C(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040873	0	38	-1.0	-50.21	316.62	2.46	-47.75
CCOCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040874	0	38	-1.0	-51.47	321.75	1.29	-50.18
CC(C)=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040875	0	38	-1.0	-48.87	314.33	2.35	-46.52
CC(CN(C)C(=O)C1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040876	0	39	-1.0	-51.46	320.38	1.37	-50.09
CSCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040877	0	35	-1.0	-50.56	310.23	1.39	-49.17
CC(C)CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040878	0	43	-1.0	-48.09	347.73	3.01	-45.08
CC(CN(C)C(=O)C1=CC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040879	0	36	-1.0	-54.47	303.16	1.42	-53.05
CC(CN(C)C(=O)C1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040880	0	35	-1.0	-52.74	300.08	0.95	-51.79
CCCCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040881	0	43	-1.0	-48.19	351.67	3.27	-44.92
CC(CN(C)C(=O)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040882	0	43	-1.0	-47.12	340.36	2.83	-44.29
CCCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040883	0	40	-1.0	-48.28	330.17	2.49	-45.79
CC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040884	0	37	-1.0	-48.55	302.76	1.40	-47.15
CCC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040885	0	40	-1.0	-50.22	318.29	2.07	-48.15
CCC(CC)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040886	0	43	-1.0	-48.73	344.66	2.71	-46.02
CC(CN(C)C(=O)C1=NNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040887	0	35	-1.0	-51.94	302.10	-0.05	-51.99
CC(CN(C)C(=O)C1=CC=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040887	1	35	-1.0	-50.44	298.98	-0.17	-50.61
CCOC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040888	0	41	-1.0	-54.89	335.99	1.82	-53.07
CC(CN(C)C(=O)C1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040889	0	35	-1.0	-51.23	298.60	-0.71	-51.94
COCCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040890	0	41	-1.0	-50.53	342.34	0.78	-49.75
CC(CN(C)C(=O)C1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040891	0	34	-1.0	-50.62	298.03	0.75	-49.87
CCC=C(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040892	0	41	-1.0	-49.51	341.85	2.80	-46.71
COC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040893	0	38	-1.0	-53.32	312.93	0.82	-52.50
CC(C)OCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040894	0	41	-1.0	-51.52	342.02	2.03	-49.49
CCCOCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040895	0	41	-1.0	-51.37	343.25	2.09	-49.28
CC(CN(C)C(=O)C1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040896	0	39	-1.0	-48.23	316.47	0.12	-48.11
CCC(OC)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040897	0	41	-1.0	-50.90	334.37	1.61	-49.29
COC(C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040898	0	41	-1.0	-48.51	339.98	1.53	-46.98
C=CCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040899	0	38	-1.0	-48.40	321.48	2.27	-46.13
CCOCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040900	0	41	-1.0	-48.55	342.70	0.98	-47.57
COCC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040901	0	41	-1.0	-50.46	333.00	0.54	-49.92
C=CCOCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040902	0	39	-1.0	-51.93	334.65	1.87	-50.06
CC(CN(C)C(=O)C1=COC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040903	0	34	-1.0	-50.07	298.14	-1.27	-51.34
CCCC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040904	0	43	-1.0	-50.57	339.79	2.82	-47.75
CC(CN(C)C(=O)CCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040905	0	41	-1.0	-48.15	340.31	3.27	-44.88
CC(CN(C)C(=O)C1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040906	0	39	-1.0	-48.22	320.09	2.62	-45.60
CC(CN(C)C(=O)CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040907	0	41	-1.0	-47.71	333.80	3.01	-44.70
CC(CN(C)C(=O)C(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040908	0	41	-1.0	-51.70	330.64	2.97	-48.73
CC=C(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040909	0	38	-1.0	-51.86	314.50	2.05	-49.81
CC(CN(C)C(=O)C1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040910	0	41	-1.0	-51.77	331.79	2.92	-48.85
CC(CN(C)C(=O)C=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040911	0	39	-1.0	-48.27	324.23	2.94	-45.33
CC(C)=C(F)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040912	0	38	-1.0	-53.49	325.09	2.31	-51.18
CC(CN(C)C(=O)C1=CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040913	0	39	-1.0	-51.67	316.51	2.59	-49.08
CC(CN(C)C(=O)C1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040914	0	41	-1.0	-49.71	331.85	3.01	-46.70
CC(CN(C)C(=O)[C@H]1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040915	0	41	-1.0	-49.73	331.85	3.01	-46.72
CC(CN(C)C(=O)[C@@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040916	0	39	-1.0	-55.62	318.52	1.35	-54.27
CCC(C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040917	0	43	-1.0	-47.76	343.63	2.97	-44.79
C#CCCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040918	0	39	-1.0	-50.58	335.95	3.01	-47.57
CC(CN(C)C(=O)CC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040919	0	41	-1.0	-48.60	331.37	0.37	-48.23
CC(C)[C@@H](O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040920	0	41	-1.0	-49.26	326.73	0.13	-49.13
CCC(C)=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040921	0	41	-1.0	-47.89	337.46	3.01	-44.88
CC(C)C#CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040922	0	39	-1.0	-52.40	335.76	3.10	-49.30
CC(CN(C)C(=O)C#CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040923	0	37	-1.0	-50.19	325.79	3.15	-47.04
C=C(C)CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040924	0	41	-1.0	-48.38	343.09	2.93	-45.45
CC(CN(C)C(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040925	0	38	-1.0	-49.00	314.94	1.98	-47.02
CC(CN(C)C(=O)[C@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040926	0	39	-1.0	-55.13	317.82	1.38	-53.75
CC(CN(C)C(=O)C1=NNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040927	0	34	-1.0	-48.67	296.79	-1.46	-50.13
CC(CN(C)C(=O)CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040928	0	41	-1.0	-47.28	336.91	2.99	-44.29
CC(CN(C)C(=O)C1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040929	0	34	-1.0	-50.44	298.30	-1.96	-52.40
C=CC(C)(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040930	0	41	-1.0	-49.81	325.03	2.08	-47.73
CC(CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040931	0	38	-1.0	-50.53	317.08	2.46	-48.07
CC(CN(C)C(=O)C1(C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040932	0	41	-1.0	-51.93	323.20	2.48	-49.45
CCC(F)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040933	0	37	-1.0	-53.43	312.33	1.82	-51.61
CC(CN(C)C(=O)CCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005040934	0	37	-1.0	-50.19	315.26	1.85	-48.34
CC(CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040935	0	38	-1.0	-50.94	316.36	2.46	-48.48
C=CCCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040936	0	41	-1.0	-48.46	342.98	3.05	-45.41
CCC(C)(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040937	0	43	-1.0	-49.31	331.40	2.20	-47.11
CC(CN(C)C(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040938	0	32	-1.0	-47.33	278.47	-3.52	-50.85
CC(CN(C)C(=O)CC1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040939	0	41	-1.0	-47.99	338.21	3.16	-44.83
CCC1(C(=O)N(C)CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005040940	0	41	-1.0	-51.47	334.10	2.84	-48.63
CC(CN(C)C(=O)C1(CF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040941	0	38	-1.0	-50.87	317.55	2.23	-48.64
CC(CN(C)C(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040942	0	40	-1.0	-50.86	314.33	1.79	-49.07
CC(C)C(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040943	0	43	-1.0	-48.31	338.19	2.59	-45.72
CC[C@@H]1C[C@H]1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040944	0	41	-1.0	-50.58	338.02	3.23	-47.35
CC(CN(C)C(=O)C1CC12CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005040945	0	39	-1.0	-51.10	327.69	3.26	-47.84
CC(CN(C)C(=O)[C@@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040946	0	36	-1.0	-55.05	309.15	-2.81	-57.86
CC(CN(C)C(=O)[C@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040947	0	36	-1.0	-61.70	308.82	-2.71	-64.41
COC1(C(=O)N(C)CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005040948	0	39	-1.0	-47.41	327.53	0.77	-46.64
CC(CN(C)C(=O)C1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040949	0	36	-1.0	-47.85	310.33	1.78	-46.07
C=CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040950	0	35	-1.0	-48.77	300.08	1.48	-47.29
CC(CN(C)C(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040951	0	40	0.0	-63.36	322.75	1.62	-61.74
CC(CN(C)C(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040951	1	39	-1.0	-48.78	320.67	-0.77	-49.55
C=CC(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040952	0	36	-1.0	-50.38	304.63	-0.78	-51.16
CC(CN(C)C(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040953	0	36	-1.0	-48.60	303.22	-0.60	-49.20
CO[C@H](C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040954	0	38	-1.0	-55.22	312.66	0.82	-54.40
CC=CC(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040955	0	39	-1.0	-50.64	326.34	0.04	-50.60
CC(CN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040956	0	43	0.0	-55.43	333.99	2.01	-53.42
CC(CN(C)C(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040956	1	42	-1.0	-48.60	334.63	-0.40	-49.00
CCC=C(F)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040957	0	38	-1.0	-47.22	321.76	2.41	-44.81
CCC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040958	0	38	-1.0	-48.69	321.00	2.31	-46.38
CC(CN(C)C(=O)C(C)(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005040960	0	41	-1.0	-49.46	326.20	-1.54	-51.00
CC(CN(C)C(=O)C1(F)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040961	0	38	-1.0	-46.53	315.61	2.26	-44.27
CC(CN(C)C(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005040962	0	32	-1.0	-52.75	277.64	-1.95	-54.70
CC(CN(C)C(=O)C=CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040963	0	36	-1.0	-51.10	314.67	-2.32	-53.42
CC(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040964	0	35	-1.0	-52.39	291.22	-1.38	-53.77
CC(CN(C)C(=O)C1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040965	0	39	-1.0	-50.42	316.00	-0.59	-51.01
CC(CN(C)C(=O)C(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040966	0	39	-1.0	-52.16	320.65	0.39	-51.77
C=CCC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040967	0	41	-1.0	-49.86	332.79	2.66	-47.20
CC(CN(C)C(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005040968	0	35	-1.0	-55.91	302.03	1.86	-54.05
CC(CN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040969	0	43	0.0	-55.43	333.99	2.01	-53.42
CC(CN(C)C(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040969	1	42	-1.0	-48.60	334.63	-0.40	-49.00
CC(CN(C)C(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005040970	0	34	-1.0	-47.72	293.76	1.08	-46.64
CC(CN(C)C(=O)C1(O)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040971	0	37	-1.0	-47.66	311.56	-3.55	-51.21
CC(C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005040972	0	39	-1.0	-52.48	332.50	3.15	-49.33
CCC1CC1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040973	0	41	-1.0	-50.72	338.76	3.23	-47.49
CC(CN(C)C(=O)CC1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040974	0	39	-1.0	-50.58	327.39	-1.01	-51.59
CC(CN(C)C(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005040975	0	35	-1.0	-50.83	306.10	1.66	-49.17
C#CCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040976	0	36	-1.0	-48.62	314.45	2.23	-46.39
CC(CN(C)C(=O)CN1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040977	0	40	-1.0	-48.56	327.25	-1.16	-49.72
CC(CN(C)C(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040977	1	41	0.0	-62.14	331.57	2.05	-60.09
C#C[C@H]1C[C@H]1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040978	0	37	-1.0	-53.00	318.84	2.96	-50.04
CC(CN(C)C(=O)C1C2CCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005040979	0	39	-1.0	-50.13	318.39	3.11	-47.02
C=C1CCC1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040980	0	39	-1.0	-47.57	321.55	2.55	-45.02
CC(CN(C)C(=O)C1[C@H](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040981	0	41	-1.0	-51.76	332.85	3.01	-48.75
CC(CN(C)C(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040982	0	43	0.0	-59.23	337.77	2.02	-57.21
CC(CN(C)C(=O)[C@@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040982	1	42	-1.0	-47.19	327.61	-0.67	-47.86
CC=CC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040983	0	39	-1.0	-48.90	335.08	2.97	-45.93
COCC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040984	0	39	-1.0	-51.74	331.63	0.69	-51.05
CC(CN(C)C(=O)C1(C)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040985	0	39	-1.0	-50.51	317.19	-0.14	-50.65
CC(CN(C)C(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040986	0	36	-1.0	-51.88	301.10	0.46	-51.42
CC(CN(C)C(=O)CCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005040987	0	36	-1.0	-47.95	317.31	-2.44	-50.39
C#CCOCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040988	0	37	-1.0	-54.07	327.53	1.82	-52.25
CC(CN(C)C(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005040989	0	38	-1.0	-46.23	312.33	-1.44	-47.67
CC1=CC1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040990	0	36	-1.0	-49.20	310.64	2.40	-46.80
CC(CN(C)C(=O)C(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040991	0	38	-1.0	-47.47	315.88	-0.02	-47.49
CSC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040992	0	36	-1.0	-48.96	320.28	1.96	-47.00
CCC(C)(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040993	0	41	-1.0	-48.68	327.51	-0.63	-49.31
CC[N@H+](C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040994	0	43	0.0	-61.98	339.20	2.31	-59.67
CC[N@@H+](C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040994	1	43	0.0	-61.82	339.21	2.30	-59.52
CCN(C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040994	1	42	-1.0	-48.85	338.64	0.02	-48.83
C=C1CC(C(=O)N(C)CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040995	0	39	-1.0	-50.49	324.18	2.79	-47.70
CC(CN(C)C(=O)C1CCC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005040996	0	38	-1.0	-54.05	314.99	2.35	-51.70
CC(CN(C)C(=O)C1=CNC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040997	0	35	-1.0	-53.21	300.40	1.52	-51.69
CC(CN(C)C(=O)C1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040997	1	35	-1.0	-53.06	299.00	1.07	-51.99
CC(CN(C)C(=O)C1=CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040998	0	37	-1.0	-50.60	310.31	1.22	-49.38
CCC[C@H](O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040999	0	41	-1.0	-47.65	335.22	0.19	-47.46
CC(C)[C@H](O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041000	0	41	-1.0	-47.47	329.18	0.14	-47.33
CCOC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041001	0	39	-1.0	-48.92	331.30	1.27	-47.65
CC(CN(C)C(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005041002	0	35	-1.0	-49.88	290.95	-1.38	-51.26
CC(CN(C)C(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005041003	0	36	-1.0	-52.96	309.38	-1.71	-54.67
COC(C)(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041004	0	41	-1.0	-52.87	323.28	1.02	-51.85
CC(CN(C)C(=O)CCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005041005	0	41	-1.0	-49.73	341.59	-0.84	-50.57
CC(CN(C)C(=O)C1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041006	0	39	-1.0	-54.85	325.46	-1.19	-56.04
COC(F)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041007	0	35	-1.0	-55.75	303.18	-0.16	-55.91
CC(CN(C)C(=O)C12CC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005041008	0	39	-1.0	-48.44	321.62	2.78	-45.66
C=C[C@H](C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041009	0	41	-1.0	-51.01	336.27	2.95	-48.06
CC(CN(C)C(=O)C=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041010	0	39	-1.0	-48.11	330.61	3.13	-44.98
CC=C(CC)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041011	0	41	-1.0	-51.34	339.58	2.94	-48.40
C=CC(C)(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041012	0	39	-1.0	-47.21	319.19	-0.64	-47.85
CC(CN(C)C(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041013	0	36	-1.0	-49.71	303.60	2.08	-47.63
CON=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041014	0	35	-1.0	-51.68	308.82	-0.52	-52.20
CC(CN(C)C(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041015	0	35	-1.0	-50.99	301.90	1.76	-49.23
CC(CN(C)C(=O)C1=NOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041016	0	36	-1.0	-48.02	307.04	0.20	-47.82
C#CC(C)(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041017	0	39	-1.0	-51.89	322.10	2.10	-49.79
CC(CN(C)C(=O)COC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041018	0	39	-1.0	-55.41	330.21	2.09	-53.32
CC(CN(C)C(=O)C1=NC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041019	0	35	-1.0	-50.51	302.28	0.47	-50.04
CCCC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041020	0	41	-1.0	-48.59	342.50	3.09	-45.50
CC=C(F)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041021	0	35	-1.0	-47.35	301.46	1.67	-45.68
CCC(CO)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041022	0	41	-1.0	-51.85	327.51	-1.16	-53.01
CC(CN(C)C(=O)C(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005041023	0	38	-1.0	-50.37	310.75	-1.86	-52.23
CC(CN(C)C(=O)C1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041024	0	34	-1.0	-51.02	293.51	0.42	-50.60
CC(CN(C)C(=O)[C@@H]1C[C@H]1CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005041025	0	38	-1.0	-55.22	323.72	2.59	-52.63
C#CC1(C(=O)N(C)CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041026	0	37	-1.0	-48.05	318.46	2.43	-45.62
CC(CN(C)C(=O)C1=COCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041027	0	37	-1.0	-48.24	306.34	0.47	-47.77
CC(CN(C)C(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005041028	0	35	-1.0	-47.75	292.56	-1.38	-49.13
CC(CN(C)C(=O)C1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041029	0	39	-1.0	-47.75	316.76	2.51	-45.24
CC(O)C(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041030	0	41	-1.0	-52.30	326.10	0.12	-52.18
C=C1CC1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041031	0	36	-1.0	-50.36	309.27	2.36	-48.00
CC(CN(C)C(=O)C(C)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005041032	0	37	-1.0	-49.25	305.96	1.55	-47.70
C=C(C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041033	0	38	-1.0	-48.23	321.69	2.14	-46.09
CC(C)=C(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041034	0	41	-1.0	-51.40	336.92	2.80	-48.60
CCCC(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041035	0	41	-1.0	-49.94	334.28	0.25	-49.69
CCC(O)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041036	0	41	-1.0	-50.58	339.34	0.08	-50.50
CC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041037	0	35	-1.0	-48.74	299.91	1.55	-47.19
CC(CN(C)C(=O)C1(C)CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005041038	0	38	-1.0	-50.71	318.37	2.13	-48.58
CC(CN(C)C(=O)[C@H]1C[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041039	0	39	-1.0	-56.28	322.13	-1.16	-57.44
CC(CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041040	0	38	-1.0	-50.53	317.08	2.46	-48.07
CNC(=O)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041041	0	38	-1.0	-58.43	323.26	-0.03	-58.46
C=CC=CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041042	0	39	-1.0	-49.25	335.33	2.91	-46.34
CC(CN(C)C(=O)CCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005041043	0	38	-1.0	-51.53	324.85	-2.23	-53.76
CC(O)CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041044	0	41	-1.0	-48.44	340.48	-0.80	-49.24
C#CCC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041045	0	39	-1.0	-50.75	325.77	2.60	-48.15
CC(CN(C)C(=O)C(C)CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005041046	0	41	-1.0	-54.61	329.71	-1.29	-55.90
CC(CN(C)C(=O)[C@H](O)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005041047	0	35	-1.0	-47.42	300.12	-1.22	-48.64
CC(CN(C)C(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041048	0	36	-1.0	-48.14	307.22	-1.54	-49.68
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005041049	0	38	-1.0	-45.25	314.00	2.45	-42.80
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)F	REAL250005041050	0	37	-1.0	-44.57	309.88	1.56	-43.01
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(F)F	REAL250005041051	0	34	-1.0	-47.65	294.92	1.10	-46.55
COCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041052	0	35	-1.0	-47.69	295.79	0.28	-47.41
CCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041053	0	37	-1.0	-45.07	304.56	1.68	-43.39
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CO1	REAL250005041054	0	35	-1.0	-49.03	301.90	1.26	-47.77
CC(=O)NCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041055	0	38	-1.0	-50.56	321.74	-1.40	-51.96
CC(C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041056	0	40	-1.0	-44.80	321.29	2.27	-42.53
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005041057	0	38	-1.0	-53.04	315.25	2.26	-50.78
CCOCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041058	0	38	-1.0	-47.73	317.64	1.24	-46.49
CC(C)=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041059	0	38	-1.0	-45.88	312.64	2.17	-43.71
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCO1	REAL250005041060	0	39	-1.0	-46.79	318.97	1.54	-45.25
CSCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041061	0	35	-1.0	-46.58	306.13	1.34	-45.24
CC(C)CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041062	0	43	-1.0	-45.04	343.63	2.96	-42.08
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1	REAL250005041063	0	36	-1.0	-56.34	305.86	0.91	-55.43
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=C1	REAL250005041064	0	35	-1.0	-48.43	301.06	1.22	-47.21
CCCCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041065	0	43	-1.0	-45.06	347.56	3.24	-41.82
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C	REAL250005041066	0	43	-1.0	-44.23	336.26	2.80	-41.43
CCCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041067	0	40	-1.0	-45.08	326.06	2.46	-42.62
CC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041068	0	37	-1.0	-45.22	302.62	1.57	-43.65
CCC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041069	0	40	-1.0	-45.00	320.74	2.20	-42.80
CCC(CC)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041070	0	43	-1.0	-45.54	337.02	2.64	-42.90
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1	REAL250005041071	0	35	-1.0	-47.63	300.27	-0.32	-47.95
CCOC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041072	0	41	-1.0	-47.30	337.43	1.93	-45.37
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1	REAL250005041073	0	35	-1.0	-49.62	300.56	-0.35	-49.97
COCCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041074	0	41	-1.0	-46.65	338.24	0.75	-45.90
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC=C1	REAL250005041075	0	34	-1.0	-53.29	298.93	0.35	-52.94
CCC=C(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041076	0	41	-1.0	-46.44	331.76	2.97	-43.47
COC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041077	0	38	-1.0	-47.55	315.57	0.96	-46.59
CC(C)OCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041078	0	41	-1.0	-47.79	337.91	1.97	-45.82
CCCOCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041079	0	41	-1.0	-47.55	339.14	2.04	-45.51
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1	REAL250005041080	0	39	-1.0	-48.98	317.09	0.24	-48.74
CCC(OC)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041081	0	41	-1.0	-46.86	336.38	1.79	-45.07
COC(C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041082	0	41	-1.0	-45.54	335.88	1.50	-44.04
C=CCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041083	0	38	-1.0	-45.25	317.38	2.24	-43.01
CCOCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041084	0	41	-1.0	-46.28	338.59	0.95	-45.33
COCC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041085	0	41	-1.0	-45.59	335.45	0.67	-44.92
C=CCOCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041086	0	39	-1.0	-48.10	330.54	1.81	-46.29
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=N1	REAL250005041087	0	34	-1.0	-52.90	297.76	-2.26	-55.16
CC(C#N)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041088	0	35	-1.0	-47.89	302.04	1.19	-46.70
CCCC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041089	0	43	-1.0	-45.02	342.24	2.96	-42.06
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CC1	REAL250005041090	0	41	-1.0	-45.05	336.18	3.23	-41.82
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CC1	REAL250005041091	0	39	-1.0	-53.31	320.39	2.55	-50.76
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCC1	REAL250005041092	0	41	-1.0	-45.13	330.97	2.97	-42.16
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C1CC1	REAL250005041093	0	41	-1.0	-45.46	331.92	3.02	-42.44
CC=C(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041094	0	38	-1.0	-46.48	311.37	2.21	-44.27
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)C1	REAL250005041095	0	41	-1.0	-53.14	332.57	2.72	-50.42
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCC1	REAL250005041096	0	39	-1.0	-47.10	322.23	2.91	-44.19
CC(C)=C(F)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041097	0	38	-1.0	-47.37	317.41	2.26	-45.11
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCC1	REAL250005041098	0	39	-1.0	-53.31	319.94	2.71	-50.60
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(C)C	REAL250005041099	0	41	-1.0	-45.20	330.18	2.90	-42.30
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(C)C	REAL250005041100	0	41	-1.0	-52.23	331.06	2.81	-49.42
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCO1	REAL250005041101	0	39	-1.0	-57.71	321.11	1.30	-56.41
CCC(C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041102	0	43	-1.0	-44.71	339.52	2.94	-41.77
C#CCCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041103	0	39	-1.0	-46.77	331.84	2.98	-43.79
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)O	REAL250005041104	0	41	-1.0	-46.10	330.05	-0.01	-46.11
CC(C)[C@@H](O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041105	0	41	-1.0	-53.76	330.99	0.57	-53.19
CCC(C)=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041106	0	41	-1.0	-45.99	334.30	2.97	-43.02
CC(C)C#CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041107	0	39	-1.0	-49.27	332.45	2.95	-46.32
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1CC1	REAL250005041108	0	37	-1.0	-49.44	322.13	3.12	-46.32
CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041109	0	34	-1.0	-45.14	283.06	0.91	-44.23
COCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041110	0	38	-1.0	-46.10	316.74	-0.02	-46.12
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005041111	0	35	-1.0	-53.57	295.36	1.55	-52.02
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005041112	0	38	-1.0	-53.40	310.09	2.10	-51.30
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1	REAL250005041113	0	41	-1.0	-53.65	326.40	2.71	-50.94
C=CCCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041114	0	41	-1.0	-45.23	338.87	3.02	-42.21
CCC(C)(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041115	0	43	-1.0	-45.29	335.73	2.62	-42.67
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005041116	0	32	-1.0	-50.59	278.41	-3.76	-54.35
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1C	REAL250005041117	0	41	-1.0	-45.46	334.59	3.15	-42.31
CCC1(C(=O)NC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041118	0	41	-1.0	-46.61	335.67	2.86	-43.75
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005041119	0	40	-1.0	-53.09	321.80	2.05	-51.04
C=C(C)CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041120	0	41	-1.0	-45.42	338.99	2.90	-42.52
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CC1	REAL250005041121	0	38	-1.0	-44.83	313.84	2.40	-42.43
CC(C)C(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041122	0	43	-1.0	-44.90	336.64	2.78	-42.12
CC[C@@H]1C[C@H]1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041123	0	41	-1.0	-53.44	338.16	2.99	-50.45
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CC2	REAL250005041124	0	39	-1.0	-45.66	325.92	3.22	-42.44
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCO1	REAL250005041125	0	39	-1.0	-57.25	318.72	1.28	-55.97
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C)CC1	REAL250005041126	0	41	-1.0	-53.30	336.59	2.85	-50.45
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005041127	0	38	-1.0	-45.88	310.68	2.28	-43.60
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC=C1	REAL250005041128	0	36	-1.0	-49.83	304.91	1.11	-48.72
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CO1	REAL250005041129	0	34	-1.0	-53.66	297.76	-2.16	-55.82
C=CC(C)(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041130	0	41	-1.0	-45.90	330.26	2.52	-43.38
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005041131	0	38	-1.0	-45.69	314.02	2.38	-43.31
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCC1	REAL250005041132	0	41	-1.0	-53.31	327.86	2.63	-50.68
CCC(F)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041133	0	37	-1.0	-47.72	310.84	1.72	-46.00
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCCF	REAL250005041134	0	37	-1.0	-45.96	311.15	1.82	-44.14
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005041135	0	38	-1.0	-53.31	316.74	2.23	-51.08
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNN=C1	REAL250005041136	0	34	-1.0	-51.72	297.75	-1.87	-53.59
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1	REAL250005041136	1	34	-1.0	-46.99	295.07	-1.70	-48.69
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005041137	0	32	-1.0	-48.65	273.53	-2.00	-50.65
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(N)=O	REAL250005041138	0	36	-1.0	-51.99	313.02	-2.45	-54.44
COC(=O)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041139	0	37	-1.0	-50.03	315.01	1.87	-48.16
CSC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041140	0	36	-1.0	-47.19	318.68	1.84	-45.35
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(N)=O	REAL250005041141	0	38	-1.0	-51.15	320.75	-2.26	-53.41
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005041142	0	36	-1.0	-57.84	302.83	0.35	-57.49
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCO1	REAL250005041143	0	37	-1.0	-48.50	310.38	0.82	-47.68
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005041144	0	36	-1.0	-45.40	300.42	-0.58	-45.98
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005041145	0	36	-1.0	-48.87	307.74	-1.83	-50.70
CC=CC(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041146	0	39	-1.0	-46.94	328.78	0.17	-46.77
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005041147	0	43	0.0	-67.98	336.53	1.98	-66.00
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005041147	1	42	-1.0	-53.65	328.22	-0.52	-54.17
CCC=C(F)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041148	0	38	-1.0	-47.49	321.91	2.33	-45.16
CCC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041149	0	38	-1.0	-46.19	317.72	2.29	-43.90
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCN=[N+]=[N-]	REAL250005041150	0	36	-1.0	-44.85	313.20	-2.47	-47.32
C#CCOCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041151	0	37	-1.0	-49.81	323.43	1.77	-48.04
CC(O)CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041152	0	41	-1.0	-46.22	336.41	-0.83	-47.05
C#CCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041153	0	36	-1.0	-45.95	310.35	2.20	-43.75
CC=CC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041154	0	39	-1.0	-46.81	331.80	2.96	-43.85
COCC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041155	0	39	-1.0	-47.75	329.99	0.57	-47.18
CCC(C)(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041156	0	41	-1.0	-44.71	330.37	-0.97	-45.68
C#CCC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041157	0	39	-1.0	-45.55	328.22	2.74	-42.81
C=CC(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041158	0	36	-1.0	-46.78	307.07	-0.69	-47.47
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC1CC2	REAL250005041159	0	39	-1.0	-46.62	321.25	2.92	-43.70
C=C[C@H](C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041160	0	41	-1.0	-51.95	334.37	2.71	-49.24
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CC1	REAL250005041161	0	39	-1.0	-46.28	328.62	3.11	-43.17
CCC(C#N)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041162	0	38	-1.0	-45.04	322.67	1.85	-43.19
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCC21	REAL250005041163	0	39	-1.0	-53.61	316.57	2.92	-50.69
C=C1CCC1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041164	0	39	-1.0	-46.51	317.46	2.46	-44.05
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005041165	0	41	-1.0	-45.69	331.45	2.97	-42.72
CC[N@H+](C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041166	0	43	0.0	-67.24	336.67	2.22	-65.02
CC[N@@H+](C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041166	1	43	0.0	-52.55	335.60	2.32	-50.23
CCN(C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041166	1	42	-1.0	-45.71	334.54	0.04	-45.67
CC(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041167	0	35	-1.0	-48.24	294.20	-1.26	-49.50
CC(=O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041168	0	33	-1.0	-48.63	285.32	0.05	-48.58
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC#N	REAL250005041169	0	38	-1.0	-49.18	325.42	2.20	-46.98
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C#N)CC1	REAL250005041170	0	36	-1.0	-48.03	313.14	1.84	-46.19
C=C1CC(C(=O)NC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041171	0	39	-1.0	-45.55	323.31	2.71	-42.84
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005041172	0	35	-1.0	-46.36	298.86	1.78	-44.58
COC(C)(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041173	0	41	-1.0	-47.78	327.52	1.44	-46.34
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CC#N	REAL250005041174	0	38	-1.0	-46.67	321.80	1.93	-44.74
CCC1CC1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041175	0	41	-1.0	-52.69	331.19	3.05	-49.64
C=CC(C)(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041176	0	39	-1.0	-47.03	323.73	-0.93	-47.96
CCCC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041177	0	41	-1.0	-46.18	339.22	3.07	-43.11
CC=C(F)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041178	0	35	-1.0	-47.30	301.61	1.60	-45.70
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005041179	0	43	0.0	-54.42	335.99	2.08	-52.34
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)N(C)C	REAL250005041179	1	42	-1.0	-45.34	329.94	-0.34	-45.68
CCOC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041180	0	39	-1.0	-48.51	329.70	1.15	-47.36
CC(=O)OCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041181	0	37	-1.0	-50.76	319.12	1.85	-48.91
CC(=O)C=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041182	0	37	-1.0	-49.98	319.89	1.40	-48.58
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC1	REAL250005041183	0	39	-1.0	-48.04	328.01	2.02	-46.02
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1	REAL250005041184	0	35	-1.0	-52.82	301.81	-0.13	-52.95
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CO	REAL250005041185	0	38	-1.0	-46.34	313.20	-1.72	-48.06
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CON=C1	REAL250005041186	0	34	-1.0	-47.92	296.79	0.63	-47.29
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCO	REAL250005041187	0	41	-1.0	-47.12	337.48	-0.87	-47.99
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C1CC1	REAL250005041188	0	37	-1.0	-49.22	316.70	1.53	-47.69
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC1	REAL250005041189	0	39	-1.0	-56.97	325.37	-1.16	-58.13
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1F	REAL250005041190	0	38	-1.0	-47.57	315.63	2.32	-45.25
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CF	REAL250005041191	0	38	-1.0	-56.20	323.34	2.36	-53.84
CCC(CO)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041192	0	41	-1.0	-43.88	330.36	-0.99	-44.87
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@@H]1C#N	REAL250005041193	0	36	-1.0	-63.68	311.39	1.91	-61.77
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCC1	REAL250005041194	0	37	-1.0	-46.65	309.76	0.75	-45.90
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005041195	0	36	-1.0	-51.83	302.20	-1.47	-53.30
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005041196	0	36	-1.0	-47.32	304.06	2.25	-45.07
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CF	REAL250005041197	0	37	-1.0	-44.53	308.42	1.69	-42.84
CC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041198	0	35	-1.0	-46.20	296.64	1.53	-44.67
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1F	REAL250005041199	0	38	-1.0	-50.90	317.84	2.28	-48.62
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005041200	0	35	-1.0	-47.39	302.82	1.65	-45.74
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CC1	REAL250005041201	0	39	-1.0	-48.24	325.87	-1.15	-49.39
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NO1	REAL250005041202	0	34	-1.0	-51.36	298.94	0.53	-50.83
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005041204	0	35	-1.0	-53.45	293.02	-1.45	-54.90
CON=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041205	0	35	-1.0	-48.41	305.53	-0.50	-48.91
CC(C)[C@H](O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041206	0	41	-1.0	-46.35	329.36	0.32	-46.03
C#CC1(C(=O)NC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041207	0	37	-1.0	-47.02	318.48	2.77	-44.25
C=CC=CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041208	0	39	-1.0	-46.05	331.23	2.88	-43.17
C#C[C@H]1C[C@H]1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041209	0	37	-1.0	-46.73	316.43	2.92	-43.81
CC=C(CC)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041210	0	41	-1.0	-46.51	332.40	2.90	-43.61
COC(F)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041211	0	35	-1.0	-48.48	301.69	-0.25	-48.73
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C#N	REAL250005041212	0	36	-1.0	-45.18	314.50	2.16	-43.02
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005041213	0	39	-1.0	-47.34	321.19	-1.22	-48.56
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CO	REAL250005041214	0	41	-1.0	-46.52	330.85	-1.08	-47.60
C=CCC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041215	0	41	-1.0	-45.10	335.24	2.79	-42.31
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005041216	0	38	-1.0	-45.69	314.02	2.38	-43.31
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005041217	0	38	-1.0	-46.77	313.54	-1.67	-48.44
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOCC1	REAL250005041218	0	36	-1.0	-49.77	307.40	-0.30	-50.07
CC(C#N)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041219	0	38	-1.0	-46.34	320.61	1.95	-44.39
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CCO	REAL250005041220	0	41	-1.0	-47.50	332.17	-1.15	-48.65
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)CF	REAL250005041221	0	35	-1.0	-45.56	299.38	-1.04	-46.60
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCC1	REAL250005041222	0	39	-1.0	-47.15	317.11	-0.84	-47.99
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CC1	REAL250005041223	0	39	-1.0	-54.03	327.63	0.19	-53.84
C=C(C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041224	0	38	-1.0	-45.25	317.59	2.11	-43.14
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C#N	REAL250005041225	0	38	-1.0	-47.19	320.90	1.69	-45.50
CC(C)=C(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041226	0	41	-1.0	-46.18	326.63	2.90	-43.28
CNC(=O)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041227	0	38	-1.0	-52.80	319.15	-0.06	-52.86
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(F)C1	REAL250005041228	0	38	-1.0	-45.47	315.66	2.31	-43.16
C=CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041229	0	35	-1.0	-45.62	295.98	1.45	-44.17
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005041230	0	40	0.0	-53.09	318.65	1.64	-51.45
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005041230	1	39	-1.0	-45.71	316.57	-0.75	-46.46
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC#N	REAL250005041231	0	32	-1.0	-49.11	282.53	0.59	-48.52
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005041232	0	35	-1.0	-45.60	300.38	1.76	-43.84
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005041233	0	43	0.0	-67.98	336.53	1.98	-66.00
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005041233	1	42	-1.0	-53.65	328.22	-0.52	-54.17
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005041234	0	34	-1.0	-44.92	289.66	1.05	-43.87
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=CCC1	REAL250005041235	0	39	-1.0	-52.91	320.40	2.58	-50.33
C#CC(C)(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041236	0	39	-1.0	-47.25	327.32	2.56	-44.69
CO[C@H](C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041237	0	38	-1.0	-47.62	314.76	1.01	-46.61
CC(=O)CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041238	0	39	-1.0	-49.23	327.65	1.58	-47.65
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005041239	0	35	-1.0	-54.71	294.16	-1.31	-56.02
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1	REAL250005041240	0	40	-1.0	-53.82	324.73	-1.26	-55.08
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005041240	1	41	0.0	-67.77	329.05	1.96	-65.81
CC(O)C(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041241	0	41	-1.0	-47.22	327.39	-0.03	-47.25
C=C1CC1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041242	0	36	-1.0	-46.18	307.15	2.25	-43.93
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)COC1	REAL250005041243	0	39	-1.0	-54.05	320.54	-0.10	-54.15
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N1	REAL250005041244	0	36	-1.0	-49.49	307.16	-2.61	-52.10
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC(=O)N1	REAL250005041245	0	36	-1.0	-62.27	309.32	-2.86	-65.13
CCC[C@H](O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041246	0	41	-1.0	-46.51	335.85	0.37	-46.14
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCC1	REAL250005041247	0	38	-1.0	-48.49	316.17	2.23	-46.26
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1	REAL250005041248	0	35	-1.0	-47.74	299.60	0.78	-46.96
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)C1	REAL250005041249	0	37	-1.0	-46.50	312.52	1.28	-45.22
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)COC1	REAL250005041250	0	37	-1.0	-53.27	310.44	-3.22	-56.49
CC(C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005041251	0	39	-1.0	-47.50	325.05	3.19	-44.31
CC1=CC1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041252	0	36	-1.0	-48.05	307.85	2.41	-45.64
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)N(C)C	REAL250005041253	0	38	-1.0	-51.42	315.69	-0.25	-51.67
CCCC(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041254	0	41	-1.0	-44.97	335.85	0.38	-44.59
CCC(O)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041255	0	41	-1.0	-46.46	335.24	0.05	-46.41
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC(=O)N1	REAL250005041256	0	36	-1.0	-60.38	307.82	-2.82	-63.20
COC1(C(=O)NC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041257	0	39	-1.0	-48.49	324.27	0.73	-47.76
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CSC1	REAL250005041258	0	36	-1.0	-52.93	309.96	1.75	-51.18
C=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041259	0	32	-1.0	-46.13	274.91	0.64	-45.49
CC(CN(C)C(=O)C1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041260	0	36	-1.0	-54.73	309.83	-2.70	-57.43
CC(CN(C)C(=O)C1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041261	0	38	-1.0	-47.58	317.47	2.36	-45.22
CC(CN(C)C(=O)C1=CC=NO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041262	0	34	-1.0	-48.87	298.05	0.56	-48.31
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041263	0	35	-1.0	-46.56	293.21	0.74	-45.82
COCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041264	0	39	-1.0	-45.94	326.88	-0.19	-46.13
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041265	0	32	-1.0	-46.83	272.23	-0.09	-46.92
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1	REAL250005041266	0	36	-1.0	-45.29	299.95	1.87	-43.42
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC1	REAL250005041267	0	39	-1.0	-46.08	319.53	1.97	-44.11
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC1	REAL250005041268	0	39	-1.0	-45.50	320.89	2.70	-42.80
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)(C)F	REAL250005041269	0	38	-1.0	-44.67	313.42	1.12	-43.55
COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041270	0	36	-1.0	-49.46	305.93	0.11	-49.35
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041271	0	38	-1.0	-46.34	314.71	1.51	-44.83
CC(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041272	0	41	-1.0	-45.90	331.43	2.10	-43.80
CC1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041273	0	39	-1.0	-46.14	324.32	2.13	-44.01
CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041274	0	39	-1.0	-49.52	327.79	1.07	-48.45
CC(C)=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041275	0	39	-1.0	-45.65	321.75	2.01	-43.64
CSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041276	0	36	-1.0	-48.60	316.27	1.19	-47.41
CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041277	0	41	-1.0	-46.43	336.20	2.29	-44.14
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041278	0	38	-1.0	-46.18	313.60	1.26	-44.92
CCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041279	0	41	-1.0	-46.12	326.49	1.74	-44.38
COC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041280	0	39	-1.0	-49.28	320.56	0.55	-48.73
C=CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041281	0	39	-1.0	-46.24	327.52	2.07	-44.17
CC=C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041282	0	39	-1.0	-46.37	326.90	1.86	-44.51
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041283	0	39	-1.0	-45.29	321.22	2.56	-42.73
CCC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041284	0	38	-1.0	-46.70	319.86	1.48	-45.22
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCF	REAL250005041285	0	38	-1.0	-49.12	321.30	1.65	-47.47
C[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041286	0	39	-1.0	-45.21	321.27	2.54	-42.67
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(N)=O	REAL250005041287	0	33	-1.0	-44.27	285.70	-3.92	-48.19
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041288	0	36	-1.0	-46.63	306.12	1.28	-45.35
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL250005041289	0	41	0.0	-70.90	328.79	1.43	-69.47
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN(C)C	REAL250005041289	1	40	-1.0	-46.75	326.71	-0.95	-47.70
C=CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041290	0	37	-1.0	-46.86	313.66	-1.06	-47.92
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1COC1	REAL250005041291	0	37	-1.0	-50.00	305.64	-0.34	-50.34
CO[C@H](C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041292	0	39	-1.0	-49.04	322.58	0.57	-48.47
CCC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041293	0	39	-1.0	-46.34	326.91	2.08	-44.26
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005041295	0	33	-1.0	-51.22	283.68	-2.17	-53.39
CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041296	0	36	-1.0	-47.25	299.49	-1.65	-48.90
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1F	REAL250005041297	0	36	-1.0	-44.36	305.74	1.97	-42.39
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCF	REAL250005041298	0	35	-1.0	-45.58	299.80	0.88	-44.70
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CCF	REAL250005041299	0	36	-1.0	-48.48	312.03	1.44	-47.04
C#CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041300	0	37	-1.0	-46.36	320.49	2.02	-44.34
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCO1	REAL250005041301	0	37	-1.0	-50.76	308.42	0.21	-50.55
CC1=CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041302	0	37	-1.0	-46.42	314.16	2.44	-43.98
C[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041303	0	36	-1.0	-46.64	300.43	-1.63	-48.27
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CCO	REAL250005041304	0	37	-1.0	-49.77	316.95	-2.04	-51.81
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CCC1	REAL250005041305	0	37	-1.0	-50.56	305.49	2.32	-48.24
CON=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041306	0	36	-1.0	-48.34	314.75	-0.74	-49.08
CC=C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041307	0	36	-1.0	-43.77	308.68	1.30	-42.47
CC(CO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041308	0	39	-1.0	-46.01	324.53	-2.05	-48.06
C[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041309	0	36	-1.0	-47.25	299.49	-1.64	-48.89
C=C1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041310	0	37	-1.0	-46.14	317.29	2.07	-44.07
CC(CF)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041311	0	38	-1.0	-45.04	314.17	1.21	-43.83
C=C(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041312	0	39	-1.0	-46.31	327.73	1.94	-44.37
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041313	0	36	-1.0	-46.54	305.85	1.33	-45.21
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041314	0	39	-1.0	-45.29	321.22	2.56	-42.73
CC1C(NC(=O)CC2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041315	0	39	-1.0	-45.69	317.41	2.56	-43.13
CC1C(NC(=O)C(C)(C)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041316	0	38	-1.0	-44.93	317.19	1.27	-43.66
COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041317	0	36	-1.0	-48.29	299.20	0.37	-47.92
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041318	0	38	-1.0	-45.56	307.97	1.78	-43.78
CC(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041319	0	41	-1.0	-45.12	324.70	2.37	-42.75
CC1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041320	0	39	-1.0	-46.28	322.30	2.06	-44.22
CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041321	0	39	-1.0	-48.29	321.05	1.33	-46.96
CC(C)=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041322	0	39	-1.0	-45.79	320.05	1.93	-43.86
CSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041323	0	36	-1.0	-47.53	309.54	1.44	-46.09
CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041324	0	41	-1.0	-45.58	329.47	2.56	-43.02
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041325	0	38	-1.0	-46.23	309.92	1.29	-44.94
CCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041326	0	41	-1.0	-44.98	324.19	2.32	-42.66
COC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041327	0	39	-1.0	-49.06	322.08	0.73	-48.33
C=CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041328	0	39	-1.0	-45.53	320.78	2.35	-43.18
CC(C#N)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041329	0	36	-1.0	-53.53	309.35	0.91	-52.62
CC=C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041330	0	39	-1.0	-46.36	318.68	1.91	-44.45
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041331	0	35	-1.0	-45.74	286.47	1.02	-44.72
COCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041332	0	39	-1.0	-45.83	320.15	0.09	-45.74
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041333	0	32	-1.0	-46.02	265.88	0.20	-45.82
CC1C(NC(=O)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041334	0	36	-1.0	-46.36	300.87	1.39	-44.97
CC1C(NC(=O)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041335	0	39	-1.0	-45.15	313.15	2.31	-42.84
CC1C(NC(=O)C(N)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041336	0	33	-1.0	-46.20	285.72	-4.04	-50.24
CC1C(NC(=O)C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041337	0	41	-1.0	-44.91	324.91	2.25	-42.66
CC1C(NC(=O)C2(C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041338	0	39	-1.0	-46.00	318.62	1.99	-44.01
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041339	0	39	-1.0	-45.22	318.34	2.48	-42.74
CCC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041340	0	38	-1.0	-46.26	314.28	1.81	-44.45
CC1C(NC(=O)CCCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041341	0	38	-1.0	-47.97	314.60	1.92	-46.05
C[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041342	0	39	-1.0	-46.21	322.24	2.06	-44.15
CC1C(NC(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041343	0	33	-1.0	-49.78	276.94	-1.91	-51.69
CC1C(NC(=O)C2CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041344	0	37	-1.0	-50.53	308.73	0.24	-50.29
CC1C(NC(=O)C2COC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041345	0	37	-1.0	-47.31	307.71	-0.89	-48.20
CC1C(NC(=O)C=CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041346	0	37	-1.0	-49.70	315.05	-2.12	-51.82
CCC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041347	0	39	-1.0	-46.30	325.03	2.00	-44.30
C#CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041348	0	37	-1.0	-46.16	313.76	2.30	-43.86
C=CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041349	0	37	-1.0	-46.92	314.38	-0.97	-47.89
CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041350	0	36	-1.0	-47.48	301.17	-1.52	-49.00
CC(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041351	0	34	-1.0	-45.15	292.12	-0.25	-45.40
CC1C(NC(=O)C2(F)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041352	0	36	-1.0	-46.77	302.79	1.89	-44.88
CC=C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041353	0	36	-1.0	-44.63	308.91	1.31	-43.32
CC(CO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041354	0	39	-1.0	-46.53	320.50	-2.00	-48.53
CC1C(NC(=O)C2(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041355	0	37	-1.0	-47.80	304.72	-1.24	-49.04
CC1C(NC(=O)C2=CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041356	0	37	-1.0	-47.17	306.92	2.24	-44.93
CC(CF)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041357	0	38	-1.0	-45.66	315.90	1.42	-44.24
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041358	0	36	-1.0	-46.52	303.94	1.24	-45.28
CC1C(NC(=O)C=CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041359	0	36	-1.0	-48.53	310.13	1.36	-47.17
C[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041361	0	36	-1.0	-47.37	301.10	-1.52	-48.89
CON=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041362	0	36	-1.0	-49.12	312.83	-0.80	-49.92
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041363	0	39	-1.0	-45.22	318.34	2.48	-42.74
CC1C(NC(=O)C(C)(C)O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041364	0	39	-1.0	-45.48	320.86	-1.96	-47.44
C=C(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041365	0	39	-1.0	-45.64	321.00	2.21	-43.43
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041366	0	36	-1.0	-45.76	299.42	1.56	-44.20
CC1C(NC(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041367	0	41	0.0	-70.99	322.06	1.73	-69.26
CC1C(NC(=O)CN(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041367	1	40	-1.0	-46.00	320.03	-0.66	-46.66
CC1C(NC(=O)CC#N)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041368	0	33	-1.0	-54.11	285.94	0.69	-53.42
CC1C(NC(=O)C2CC2F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041369	0	36	-1.0	-49.87	307.12	1.46	-48.41
CC1C(NC(=O)CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041370	0	35	-1.0	-45.54	293.07	1.16	-44.38
CO[C@H](C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041371	0	39	-1.0	-49.48	318.38	0.94	-48.54
C[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041372	0	36	-1.0	-47.75	296.67	-1.26	-49.01
C=C1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041373	0	37	-1.0	-45.45	310.60	2.36	-43.09
CC1=CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041374	0	37	-1.0	-46.94	315.86	2.10	-44.84
C=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041375	0	33	-1.0	-46.74	282.22	0.35	-46.39
CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041376	0	35	-1.0	-44.59	293.35	0.74	-43.85
COCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041377	0	39	-1.0	-44.45	325.96	-0.17	-44.62
CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041378	0	32	-1.0	-47.21	273.55	-0.05	-47.26
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC1	REAL250005041379	0	36	-1.0	-44.84	304.10	1.50	-43.34
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC1	REAL250005041380	0	39	-1.0	-43.62	318.83	2.00	-41.62
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC1	REAL250005041381	0	39	-1.0	-43.87	323.12	2.27	-41.60
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(C)(C)F	REAL250005041382	0	38	-1.0	-44.19	311.11	1.11	-43.08
COCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041383	0	36	-1.0	-46.49	305.01	0.06	-46.43
CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041384	0	38	-1.0	-43.73	313.79	1.52	-42.21
CC(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041385	0	41	-1.0	-43.96	331.64	2.08	-41.88
CC1CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041386	0	39	-1.0	-43.42	318.11	2.19	-41.23
CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041387	0	39	-1.0	-46.43	326.86	1.02	-45.41
CC(C)=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041388	0	39	-1.0	-43.92	321.01	2.00	-41.92
CSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041389	0	36	-1.0	-45.53	315.35	1.20	-44.33
CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041390	0	41	-1.0	-43.65	335.28	2.31	-41.34
CC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041391	0	38	-1.0	-43.83	312.37	1.26	-42.57
CCC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041392	0	41	-1.0	-43.67	328.67	1.83	-41.84
COC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041393	0	39	-1.0	-49.96	322.98	0.62	-49.34
C=CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041394	0	39	-1.0	-43.68	326.60	2.09	-41.59
CC=C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041395	0	39	-1.0	-44.66	325.46	1.85	-42.81
C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041396	0	39	-1.0	-44.74	324.22	2.14	-42.60
CCC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041397	0	38	-1.0	-49.16	320.48	1.50	-47.66
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCF	REAL250005041398	0	38	-1.0	-45.36	320.38	1.66	-43.70
C[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041399	0	39	-1.0	-43.99	323.49	2.14	-41.85
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(N)=O	REAL250005041400	0	33	-1.0	-47.39	284.59	-3.99	-51.38
C=CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041401	0	36	-1.0	-44.07	305.20	1.30	-42.77
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+](C)C	REAL250005041402	0	41	0.0	-62.23	329.00	1.42	-60.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN(C)C	REAL250005041402	1	40	-1.0	-44.26	325.79	-0.95	-45.21
C=CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041403	0	37	-1.0	-48.12	314.31	-1.04	-49.16
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1COC1	REAL250005041404	0	37	-1.0	-44.47	309.60	-0.77	-45.24
CO[C@H](C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041405	0	39	-1.0	-46.17	319.82	0.50	-45.67
CCC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041406	0	39	-1.0	-44.32	326.21	2.06	-42.26
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CO	REAL250005041408	0	33	-1.0	-47.86	282.76	-2.23	-50.09
CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041409	0	36	-1.0	-46.86	300.84	-1.59	-48.45
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC1F	REAL250005041410	0	36	-1.0	-46.75	308.40	1.54	-45.21
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCF	REAL250005041411	0	35	-1.0	-43.71	298.88	0.90	-42.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=CCF	REAL250005041412	0	36	-1.0	-45.52	311.30	1.41	-44.11
C#CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041413	0	37	-1.0	-44.37	319.57	2.03	-42.34
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCO1	REAL250005041414	0	37	-1.0	-47.91	311.41	0.30	-47.61
CC1=CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041415	0	37	-1.0	-46.09	318.58	2.20	-43.89
C[C@@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041416	0	36	-1.0	-44.69	298.28	-1.69	-46.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=CCO	REAL250005041417	0	37	-1.0	-46.80	316.22	-2.06	-48.86
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CCC1	REAL250005041418	0	37	-1.0	-48.23	310.52	1.91	-46.32
CON=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041419	0	36	-1.0	-49.92	315.37	-0.72	-50.64
CC=C(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041420	0	36	-1.0	-46.55	309.30	1.31	-45.24
CC(CO)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041421	0	39	-1.0	-45.01	322.90	-2.04	-47.05
C[C@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041422	0	36	-1.0	-48.25	299.65	-1.70	-49.95
C=C1CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041423	0	37	-1.0	-47.53	317.00	2.05	-45.48
CC(CF)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041424	0	38	-1.0	-43.50	317.83	1.36	-42.14
C=C(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041425	0	39	-1.0	-43.89	326.82	1.95	-41.94
CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041426	0	36	-1.0	-47.28	306.47	1.34	-45.94
C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005041427	0	39	-1.0	-44.74	324.22	2.14	-42.60
CC1CC(NC(=O)CC2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041428	0	39	-1.0	-54.58	321.37	2.17	-52.41
CC1CC(NC(=O)C(C)(C)F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041429	0	38	-1.0	-52.89	316.27	1.36	-51.53
COCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041430	0	36	-1.0	-57.46	303.03	-0.01	-57.47
CCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041431	0	38	-1.0	-53.79	311.86	1.40	-52.39
CC(C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041432	0	41	-1.0	-53.40	328.59	1.99	-51.41
CC1CC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041433	0	39	-1.0	-51.31	322.68	2.11	-49.20
CCOCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041434	0	39	-1.0	-57.59	324.94	0.95	-56.64
CC(C)=CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041435	0	39	-1.0	-52.79	320.08	1.96	-50.83
CSCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041436	0	36	-1.0	-56.72	313.37	1.06	-55.66
CCCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041437	0	41	-1.0	-53.95	333.30	2.18	-51.77
CC(C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041438	0	38	-1.0	-53.41	310.14	1.31	-52.10
CCC(C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041439	0	41	-1.0	-53.75	328.02	1.95	-51.80
COC(C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041440	0	39	-1.0	-54.07	323.29	0.72	-53.35
C=CCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041441	0	39	-1.0	-53.43	324.67	1.96	-51.47
CC(C#N)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041442	0	36	-1.0	-57.71	309.76	0.94	-56.77
CC=C(C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041443	0	39	-1.0	-53.87	318.68	1.92	-51.95
CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041444	0	35	-1.0	-53.95	290.60	0.66	-53.29
COCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041445	0	39	-1.0	-53.26	324.03	-0.29	-53.55
CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041446	0	32	-1.0	-54.02	270.07	-0.18	-54.20
CC1CC(NC(=O)C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041447	0	36	-1.0	-54.25	300.96	1.36	-52.89
CC1CC(NC(=O)C2CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041448	0	39	-1.0	-54.27	317.15	1.90	-52.37
CC1CC(NC(=O)C(N)=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041449	0	33	-1.0	-50.09	285.94	-4.02	-54.11
CC1CC(NC(=O)C(C)(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041450	0	41	-1.0	-51.38	329.22	1.88	-49.50
CC1CC(NC(=O)C2(C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041451	0	39	-1.0	-54.26	318.71	1.97	-52.29
C[C@@H]1C[C@H]1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041452	0	39	-1.0	-53.75	322.27	2.08	-51.67
CCC(F)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041453	0	38	-1.0	-53.28	318.13	1.43	-51.85
CC1CC(NC(=O)CCCF)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041454	0	38	-1.0	-56.83	318.39	1.54	-55.29
C[C@H]1C[C@@H]1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041455	0	39	-1.0	-53.94	322.60	2.08	-51.86
CC1CC(NC(=O)CO)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041456	0	33	-1.0	-59.13	280.77	-2.29	-61.42
CC1CC(NC(=O)C2CCO2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041457	0	37	-1.0	-55.86	308.24	0.11	-55.75
CC1CC(NC(=O)C2COC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041458	0	37	-1.0	-53.90	307.96	-0.84	-54.74
CC1CC(NC(=O)C=CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041459	0	37	-1.0	-57.14	315.04	-2.12	-59.26
CCC=CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041460	0	39	-1.0	-53.70	325.26	2.03	-51.67
C#CCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041461	0	37	-1.0	-53.65	317.64	1.92	-51.73
C=CC(O)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041462	0	37	-1.0	-51.40	314.79	-0.94	-52.34
CC(O)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041463	0	36	-1.0	-53.22	301.58	-1.49	-54.71
CC(=O)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041464	0	34	-1.0	-49.49	292.34	-0.22	-49.71
CC1CC(NC(=O)C2(F)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041465	0	36	-1.0	-49.95	307.02	1.42	-48.53
CC=C(F)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041466	0	36	-1.0	-49.95	309.14	1.33	-48.62
CC(CO)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041467	0	39	-1.0	-53.09	320.48	-1.99	-55.08
CC1CC(NC(=O)C2(O)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041468	0	37	-1.0	-50.13	308.10	-1.72	-51.85
CC1CC(NC(=O)C2=CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041469	0	37	-1.0	-52.23	311.26	1.93	-50.30
CC(CF)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041470	0	38	-1.0	-52.17	315.87	1.44	-50.73
CC=CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041471	0	36	-1.0	-53.77	303.93	1.25	-52.52
CC1CC(NC(=O)C=CCF)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041472	0	36	-1.0	-55.56	310.12	1.36	-54.20
C[C@H](O)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041474	0	36	-1.0	-54.28	301.22	-1.52	-55.80
CON=CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041475	0	36	-1.0	-56.67	312.81	-0.78	-57.45
C[C@@H]1C[C@H]1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041476	0	39	-1.0	-53.75	322.27	2.08	-51.67
CC1CC(NC(=O)C(C)(C)O)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041477	0	39	-1.0	-51.70	321.08	-1.92	-53.62
C=C(C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041478	0	39	-1.0	-53.71	324.86	1.84	-51.87
C=CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041479	0	36	-1.0	-54.25	303.21	1.17	-53.08
CC1CC(NC(=O)C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041480	0	41	0.0	-72.92	325.95	1.35	-71.57
CC1CC(NC(=O)CN(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041480	1	40	-1.0	-54.16	323.86	-1.03	-55.19
CC1CC(NC(=O)CC#N)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041481	0	33	-1.0	-64.03	289.77	0.30	-63.73
CC1CC(NC(=O)C2CC2F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041482	0	36	-1.0	-55.55	304.63	1.48	-54.07
CC1CC(NC(=O)CCF)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041483	0	35	-1.0	-52.69	296.95	0.78	-51.91
CO[C@H](C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041484	0	39	-1.0	-57.69	322.82	0.69	-57.00
C[C@@H](O)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041485	0	36	-1.0	-55.57	301.22	-1.53	-57.10
C=C1CC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041486	0	37	-1.0	-51.28	313.47	1.94	-49.34
CC1=CC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041487	0	37	-1.0	-53.82	315.89	2.10	-51.72
C=CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041488	0	33	-1.0	-53.84	282.44	0.38	-53.46
CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005041489	0	39	-1.0	-45.93	308.63	1.38	-44.55
CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005041490	0	36	-1.0	-55.21	286.29	0.52	-54.69
O=C(CO)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005041491	0	37	-1.0	-49.45	300.85	-1.27	-50.72
CCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL250005041492	0	39	-1.0	-45.80	311.32	1.53	-44.27
CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL250005041493	0	36	-1.0	-46.00	289.36	0.67	-45.33
O=C(CO)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL250005041494	0	37	-1.0	-50.27	301.96	-1.39	-51.66
C=CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL250005041495	0	37	-1.0	-45.22	303.76	1.52	-43.70
CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005041496	0	39	-1.0	-52.16	316.08	1.43	-50.73
CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005041497	0	39	-1.0	-49.21	313.60	1.32	-47.89
CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041498	0	38	-1.0	-50.01	300.49	1.38	-48.63
CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041499	0	35	-1.0	-43.62	276.74	1.26	-42.36
CC1C(NC(=O)C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041500	0	39	-1.0	-50.00	310.51	2.05	-47.95
COCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041501	0	39	-1.0	-53.20	313.21	0.74	-52.46
CCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041502	0	41	-1.0	-49.78	321.99	2.14	-47.64
CC(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041503	0	41	-1.0	-49.61	320.04	2.05	-47.56
CC1C(NC(=O)C(N)=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041504	0	36	-1.0	-48.31	292.54	-2.56	-50.87
C=CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041505	0	39	-1.0	-50.10	313.40	1.92	-48.18
CC1C(NC(=O)CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041506	0	36	-1.0	-46.77	287.81	-0.85	-47.62
CC(O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041507	0	39	-1.0	-50.99	311.17	-0.75	-51.74
CC1C(NC(=O)CCF)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041508	0	38	-1.0	-49.01	307.08	1.52	-47.49
C[C@@H](O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041509	0	39	-1.0	-46.29	308.34	-0.07	-46.36
C[C@H](O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041510	0	39	-1.0	-43.78	307.99	-0.04	-43.82
CC=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041511	0	39	-1.0	-49.77	313.94	2.00	-47.77
COCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041512	0	39	-1.0	-52.05	313.04	1.51	-50.54
CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041513	0	41	-1.0	-48.64	321.81	3.06	-45.58
CC(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041514	0	41	-1.0	-48.57	315.93	2.69	-45.88
CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041515	0	38	-1.0	-48.77	300.32	2.30	-46.47
CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041516	0	35	-1.0	-48.84	278.40	1.42	-47.42
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC1	REAL250005041517	0	39	-1.0	-48.70	313.48	2.32	-46.38
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(N)=O	REAL250005041518	0	36	-1.0	-45.52	295.84	-3.30	-48.82
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CO	REAL250005041519	0	36	-1.0	-53.54	290.79	-0.77	-54.31
CC(O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041520	0	39	-1.0	-50.56	307.08	-0.25	-50.81
CC(=O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041521	0	37	-1.0	-46.41	304.75	0.76	-45.65
CC=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041522	0	39	-1.0	-48.46	315.76	2.17	-46.29
C[C@H](O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041523	0	39	-1.0	-53.12	309.71	-0.96	-54.08
C=CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041524	0	39	-1.0	-48.65	313.23	2.84	-45.81
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC#N	REAL250005041525	0	36	-1.0	-58.29	299.78	1.98	-56.31
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCF	REAL250005041526	0	38	-1.0	-47.87	306.91	2.45	-45.42
C[C@@H](O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041527	0	39	-1.0	-53.00	307.85	-0.25	-53.25
C=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005041528	0	36	-1.0	-48.15	291.17	1.96	-46.19
CCC(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041529	0	38	-1.0	-48.06	317.13	0.42	-47.64
CC(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041530	0	35	-1.0	-47.58	296.71	-0.35	-47.93
O=C(NCC1CCC(NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005041531	0	39	-1.0	-47.99	327.74	1.19	-46.80
COCC(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041532	0	39	-1.0	-51.16	329.86	-0.22	-51.38
CCCC(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041533	0	41	-1.0	-47.79	338.63	1.19	-46.60
CC(C)C(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041534	0	41	-1.0	-47.71	336.68	1.07	-46.64
NC(=O)C(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041535	0	36	-1.0	-46.97	312.61	-4.29	-51.26
C=CCC(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041536	0	39	-1.0	-48.23	330.05	0.96	-47.27
O=C(CO)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041537	0	36	-1.0	-52.78	307.60	-2.51	-55.29
CC(O)C(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041538	0	39	-1.0	-52.89	327.36	-1.68	-54.57
O=C(CCF)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041539	0	38	-1.0	-47.30	323.72	0.56	-46.74
C[C@@H](O)C(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041540	0	39	-1.0	-52.33	328.47	-1.80	-54.13
C[C@H](O)C(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041541	0	39	-1.0	-52.34	327.67	-1.75	-54.09
CC=CC(=O)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041542	0	39	-1.0	-48.51	330.60	1.07	-47.44
COCC(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041543	0	39	-1.0	-52.80	329.51	-0.25	-53.05
CCCC(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041544	0	41	-1.0	-49.39	338.28	1.15	-48.24
CC(C)C(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041545	0	41	-1.0	-49.19	336.33	1.05	-48.14
CCC(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041546	0	38	-1.0	-49.57	316.79	0.38	-49.19
CC(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041547	0	35	-1.0	-49.79	296.19	-0.43	-50.22
O=C(NC1CCC(CNC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005041548	0	39	-1.0	-48.51	328.05	1.18	-47.33
NC(=O)C(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041549	0	36	-1.0	-47.91	312.13	-4.29	-52.20
O=C(CO)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041550	0	36	-1.0	-54.47	307.26	-2.54	-57.01
CC(O)C(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041551	0	39	-1.0	-50.35	327.59	-1.76	-52.11
CC(=O)C(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041552	0	37	-1.0	-46.93	319.05	-0.48	-47.41
CC=CC(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041553	0	39	-1.0	-49.59	330.36	0.98	-48.61
C[C@H](O)C(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041554	0	39	-1.0	-49.93	328.24	-1.70	-51.63
C=CCC(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041555	0	39	-1.0	-49.77	329.70	0.92	-48.85
N#CCC(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041556	0	36	-1.0	-58.67	316.25	0.05	-58.62
O=C(CCF)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041557	0	38	-1.0	-48.83	323.38	0.52	-48.31
C[C@@H](O)C(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041558	0	39	-1.0	-52.03	328.70	-1.66	-53.69
C=CC(=O)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041559	0	36	-1.0	-49.77	308.64	0.09	-49.68
CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005041560	0	38	-1.0	-43.96	311.58	1.61	-42.35
CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005041561	0	35	-1.0	-46.04	289.41	0.53	-45.51
CC1(C)CN(C(=O)C2CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005041562	0	39	-1.0	-45.98	320.66	2.23	-43.75
COCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005041563	0	39	-1.0	-46.47	324.30	1.02	-45.45
CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005041564	0	41	-1.0	-45.61	332.66	2.14	-43.47
CC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005041565	0	41	-1.0	-45.60	326.35	1.73	-43.87
CC1(C)CN(C(=O)C(N)=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005041566	0	36	-1.0	-46.47	305.51	-3.26	-49.73
C=CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005041567	0	39	-1.0	-44.08	324.49	2.15	-41.93
CC1(C)CN(C(=O)CO)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005041568	0	36	-1.0	-48.05	302.05	-1.27	-49.32
CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005041569	0	39	-1.0	-49.62	319.35	-0.90	-50.52
CC1(C)CN(C(=O)CCF)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005041570	0	38	-1.0	-45.19	317.75	1.52	-43.67
C[C@@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005041571	0	39	-1.0	-50.14	318.58	-0.73	-50.87
C[C@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005041572	0	39	-1.0	-46.81	318.81	-1.09	-47.90
CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005041573	0	39	-1.0	-45.33	326.04	2.02	-43.31
COCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041574	0	39	-1.0	-54.21	322.92	0.61	-53.60
CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041575	0	41	-1.0	-50.66	331.05	1.90	-48.76
CC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041576	0	41	-1.0	-50.65	329.74	1.93	-48.72
CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041577	0	38	-1.0	-51.06	309.94	1.29	-49.77
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041578	0	35	-1.0	-50.93	289.26	0.32	-50.61
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC1	REAL250005041579	0	39	-1.0	-50.76	320.49	2.05	-48.71
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C(N)=O	REAL250005041580	0	36	-1.0	-48.35	305.54	-3.40	-51.75
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CO	REAL250005041581	0	36	-1.0	-55.82	300.66	-1.66	-57.48
CC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041582	0	39	-1.0	-55.32	320.28	-0.84	-56.16
CC(=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041583	0	37	-1.0	-47.48	312.94	0.42	-47.06
CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041584	0	39	-1.0	-50.72	323.38	1.75	-48.97
C[C@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041585	0	39	-1.0	-55.15	321.42	-0.87	-56.02
C=CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041586	0	39	-1.0	-51.36	322.86	1.84	-49.52
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC#N	REAL250005041587	0	36	-1.0	-60.24	309.65	0.93	-59.31
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CCF	REAL250005041588	0	38	-1.0	-49.66	316.15	1.28	-48.38
C[C@@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041589	0	39	-1.0	-53.43	319.38	-0.64	-54.07
C=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005041590	0	36	-1.0	-50.85	301.66	0.86	-49.99
CCC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041591	0	35	-1.0	-48.70	300.42	-2.16	-50.86
CC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041592	0	32	-1.0	-48.86	278.73	-2.67	-51.53
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005041593	0	36	-1.0	-48.64	310.25	-1.37	-50.01
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1	REAL250005041594	0	39	-1.0	-49.98	327.22	-1.50	-51.48
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005041595	0	39	-1.0	-50.31	332.99	-1.16	-51.47
COCC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041596	0	36	-1.0	-51.98	313.14	-2.87	-54.85
CCCC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041597	0	38	-1.0	-48.57	321.92	-1.40	-49.97
CC(C)CC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041598	0	41	-1.0	-48.02	338.65	-0.85	-48.87
CC1CC1C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041599	0	39	-1.0	-48.73	331.45	-0.73	-49.46
CC(C)=CC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041600	0	39	-1.0	-48.05	329.01	-0.92	-48.97
CCCCC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041601	0	41	-1.0	-48.61	343.42	-0.62	-49.23
CC(C)C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041602	0	38	-1.0	-48.55	316.11	-1.42	-49.97
CCC(C)C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041603	0	41	-1.0	-48.65	333.18	-1.16	-49.81
C=CCCC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041604	0	39	-1.0	-48.36	334.73	-0.84	-49.20
CC=C(C)C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041605	0	39	-1.0	-49.36	328.99	-0.87	-50.23
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1	REAL250005041606	0	39	-1.0	-48.85	327.01	-0.80	-49.65
C[C@@H]1C[C@H]1C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041607	0	39	-1.0	-48.60	331.62	-0.70	-49.30
C[C@H]1C[C@@H]1C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041608	0	39	-1.0	-48.78	331.99	-0.78	-49.56
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005041609	0	33	-1.0	-48.61	294.90	-7.33	-55.94
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C	REAL250005041610	0	41	-1.0	-48.76	329.07	-1.22	-49.98
C=CCC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041611	0	36	-1.0	-48.72	313.33	-1.62	-50.34
C=CC(O)C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041612	0	37	-1.0	-49.68	316.95	-3.88	-53.56
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC1	REAL250005041613	0	37	-1.0	-50.52	318.11	-4.25	-54.77
CCC=CC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041614	0	39	-1.0	-48.80	334.25	-0.80	-49.60
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005041616	0	33	-1.0	-53.47	290.88	-5.15	-58.62
CC(O)C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041617	0	36	-1.0	-51.27	309.58	-5.00	-56.27
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005041618	0	35	-1.0	-47.98	307.00	-2.02	-50.00
C#CCCC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041619	0	37	-1.0	-48.80	327.70	-0.88	-49.68
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCO1	REAL250005041620	0	37	-1.0	-55.18	318.05	-3.06	-58.24
CC1=CC1C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041621	0	37	-1.0	-51.00	325.31	-1.18	-52.18
C[C@@H](O)C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041622	0	36	-1.0	-50.75	307.75	-5.06	-55.81
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005041623	0	37	-1.0	-52.20	324.25	-4.92	-57.12
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005041624	0	37	-1.0	-50.06	316.24	-0.95	-51.01
C[C@H](O)C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041625	0	36	-1.0	-49.17	306.67	-4.38	-53.55
C=C1CC1C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041626	0	37	-1.0	-48.91	323.70	-0.85	-49.76
C=C(C)CC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041627	0	39	-1.0	-48.49	334.98	-0.96	-49.45
CC=CC(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041628	0	36	-1.0	-48.98	313.16	-1.56	-50.54
C[C@@H]1C[C@H]1C(=O)N(C)CC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005041629	0	39	-1.0	-48.60	331.62	-0.70	-49.30
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CC1	REAL250005041630	0	37	-1.0	-47.40	321.78	-5.03	-52.43
CN(CC(O)CNC(=O)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041631	0	39	-1.0	-49.46	328.65	-0.94	-50.40
COCC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041632	0	36	-1.0	-52.26	310.43	-3.12	-55.38
CCCC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041633	0	38	-1.0	-49.17	319.21	-1.72	-50.89
CC(C)CC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041634	0	41	-1.0	-48.73	335.93	-1.13	-49.86
CC1CC1C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041635	0	39	-1.0	-49.19	329.60	-1.04	-50.23
CC(C)=CC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041636	0	39	-1.0	-48.87	326.84	-1.18	-50.05
CCCCC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041637	0	41	-1.0	-49.11	340.71	-0.94	-50.05
CC(C)C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041638	0	38	-1.0	-49.02	317.26	-1.81	-50.83
CCC(C)C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041639	0	41	-1.0	-48.90	335.38	-1.16	-50.06
C=CCCC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041640	0	39	-1.0	-49.04	332.02	-1.16	-50.20
CC(C#N)C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041641	0	36	-1.0	-55.06	316.69	-2.19	-57.25
CC=C(C)C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041642	0	39	-1.0	-49.63	326.03	-1.19	-50.82
CCC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041643	0	35	-1.0	-49.41	297.71	-2.48	-51.89
CC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041644	0	32	-1.0	-49.75	277.42	-3.30	-53.05
CN(CC(O)CNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041645	0	36	-1.0	-49.33	308.23	-1.71	-51.04
CN(CC(O)CNC(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041646	0	39	-1.0	-49.75	325.08	-1.45	-51.20
CN(CC(O)CNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005041647	0	33	-1.0	-50.39	293.06	-7.14	-57.53
CN(CC(O)CNC(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005041648	0	41	-1.0	-48.86	336.14	-1.25	-50.11
CN(CC(O)CNC(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041649	0	39	-1.0	-49.19	325.98	-1.10	-50.29
C[C@@H]1C[C@H]1C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041650	0	39	-1.0	-49.77	330.47	-1.28	-51.05
C[C@H]1C[C@@H]1C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041651	0	39	-1.0	-49.97	331.24	-1.35	-51.32
CN(CC(O)CNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005041652	0	33	-1.0	-53.72	288.18	-5.40	-59.12
CN(CC(O)CNC(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005041653	0	37	-1.0	-52.12	314.24	-2.40	-54.52
CN(CC(O)CNC(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041654	0	37	-1.0	-49.83	315.07	-3.98	-53.81
CN(CC(O)CNC(=O)C=CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005041655	0	37	-1.0	-52.33	322.39	-5.23	-57.56
CCC=CC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041656	0	39	-1.0	-49.31	332.37	-1.11	-50.42
C#CCCC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041657	0	37	-1.0	-49.57	324.99	-1.20	-50.77
C=CC(O)C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041658	0	37	-1.0	-49.67	321.72	-4.07	-53.74
CC(O)C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041659	0	36	-1.0	-50.36	308.51	-4.61	-54.97
CC(=O)C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041660	0	34	-1.0	-49.02	299.46	-3.35	-52.37
CN(CC(O)CNC(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041661	0	37	-1.0	-48.81	315.55	-4.24	-53.05
CN(CC(O)CNC(=O)C1=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041662	0	37	-1.0	-50.21	318.71	-1.14	-51.35
CC=CC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041663	0	36	-1.0	-49.60	311.29	-1.87	-51.47
C[C@H](O)C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041665	0	36	-1.0	-49.80	308.51	-4.62	-54.42
C[C@@H]1C[C@H]1C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041666	0	39	-1.0	-49.77	330.47	-1.28	-51.05
C=C(C)CC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041667	0	39	-1.0	-49.34	332.23	-1.29	-50.63
C=CCC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041668	0	36	-1.0	-49.44	310.62	-1.94	-51.38
CN(CC(O)CNC(=O)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005041669	0	33	-1.0	-57.04	297.17	-2.81	-59.85
CN(CC(O)CNC(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005041670	0	35	-1.0	-48.84	304.30	-2.34	-51.18
C[C@@H](O)C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041671	0	36	-1.0	-50.37	308.51	-4.61	-54.98
C=C1CC1C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041672	0	37	-1.0	-49.51	321.80	-1.14	-50.65
CC1=CC1C(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041673	0	37	-1.0	-51.00	323.92	-1.26	-52.26
C=CC(=O)NCC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041674	0	33	-1.0	-49.75	289.56	-2.76	-52.51
CCC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041675	0	38	-1.0	-58.56	313.87	-0.51	-59.07
CC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041676	0	35	-1.0	-59.01	292.32	-1.34	-60.35
CN(CC(O)CN(C)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041677	0	39	-1.0	-49.54	325.21	0.39	-49.15
CCCC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041678	0	41	-1.0	-58.50	335.37	0.26	-58.24
CC(C)C(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041679	0	41	-1.0	-58.65	328.51	-0.14	-58.79
C=CCC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041680	0	39	-1.0	-58.44	326.78	0.03	-58.41
CN(CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005041681	0	36	-1.0	-63.97	304.35	-3.40	-67.37
CC=CC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041682	0	39	-1.0	-59.13	326.62	0.08	-59.05
CCCC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041683	0	41	-1.0	-58.50	335.37	0.26	-58.24
CC(C)C(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041684	0	41	-1.0	-58.65	328.51	-0.14	-58.79
CCC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041685	0	38	-1.0	-58.56	313.87	-0.51	-59.07
CC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041686	0	35	-1.0	-59.01	292.32	-1.34	-60.35
CN(CC(O)CN(C)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041687	0	39	-1.0	-49.54	325.21	0.39	-49.15
CN(CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005041688	0	36	-1.0	-63.97	304.35	-3.40	-67.37
CC(=O)C(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041689	0	37	-1.0	-54.90	313.90	-1.35	-56.25
CC=CC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041690	0	39	-1.0	-59.13	326.62	0.08	-59.05
C=CCC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041691	0	39	-1.0	-58.44	326.78	0.03	-58.41
CN(CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005041692	0	36	-1.0	-67.29	313.34	-0.83	-68.12
C=CC(=O)N(C)CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041693	0	36	-1.0	-59.04	304.90	-0.79	-59.83
CCC(=O)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041694	0	40	-1.0	-45.35	319.51	3.25	-42.10
CC(=O)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041695	0	37	-1.0	-46.79	299.60	2.48	-44.31
CC(C)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005041696	0	41	-1.0	-46.23	329.15	3.78	-42.45
COCC(=O)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041697	0	41	-1.0	-48.07	332.25	2.50	-45.57
CCCC(=O)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041698	0	43	-1.0	-45.28	341.01	4.01	-41.27
CC(C)C(=O)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041699	0	43	-1.0	-45.21	336.19	3.69	-41.52
CC(C)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005041700	0	38	-1.0	-49.40	309.27	-0.38	-49.78
C=CCC(=O)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041701	0	41	-1.0	-45.70	332.43	3.79	-41.91
CC(C)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005041702	0	38	-1.0	-48.91	309.99	0.20	-48.71
CC(C)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)O	REAL250005041703	0	41	-1.0	-45.91	320.42	0.69	-45.22
CC(C)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)O	REAL250005041704	0	41	-1.0	-46.20	325.65	0.68	-45.52
CC(C)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)O	REAL250005041705	0	41	-1.0	-55.74	323.92	0.62	-55.12
CC=CC(=O)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041706	0	41	-1.0	-45.93	334.67	3.91	-42.02
COCC(=O)N(C)CCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041707	0	41	-1.0	-65.66	324.10	2.94	-62.72
CCCC(=O)N(C)CCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041708	0	43	-1.0	-61.28	332.88	4.72	-56.56
CC(C)C(=O)N(C)CCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041709	0	43	-1.0	-61.07	330.12	4.40	-56.67
CCC(=O)N(C)CCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041710	0	40	-1.0	-61.03	311.38	3.96	-57.07
CC(=O)N(C)CCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041711	0	37	-1.0	-43.24	293.31	2.08	-41.16
CC(C)N(CCN(C)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041712	0	41	-1.0	-43.11	325.17	3.64	-39.47
CC(C)N(CCN(C)C(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005041713	0	38	-1.0	-52.82	305.16	-0.69	-53.51
CC(C)N(CCN(C)C(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005041714	0	38	-1.0	-67.10	301.84	0.66	-66.44
CC(C)N(CCN(C)C(=O)C(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005041715	0	41	-1.0	-67.40	319.81	1.18	-66.22
CC(=O)C(=O)N(C)CCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041716	0	39	-1.0	-43.00	314.65	2.11	-40.89
CC=CC(=O)N(C)CCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041717	0	41	-1.0	-43.49	327.39	3.51	-39.98
CC(C)N(CCN(C)C(=O)[C@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005041718	0	41	-1.0	-49.34	326.01	0.62	-48.72
C=CCC(=O)N(C)CCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041719	0	41	-1.0	-61.28	324.29	4.50	-56.78
CC(C)N(CCN(C)C(=O)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005041720	0	38	-1.0	-72.15	310.82	3.64	-68.51
CC(C)N(CCN(C)C(=O)[C@@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005041721	0	41	-1.0	-61.95	320.22	1.47	-60.48
C=CC(=O)N(C)CCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005041722	0	38	-1.0	-43.69	305.67	2.63	-41.06
CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041723	0	40	-1.0	-44.11	318.66	0.50	-43.61
CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041724	0	37	-1.0	-44.47	298.35	-0.31	-44.78
CC(C)(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005041725	0	41	-1.0	-43.93	329.18	1.26	-42.67
COCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041726	0	41	-1.0	-46.78	331.38	-0.23	-47.01
CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041727	0	43	-1.0	-43.91	340.16	1.27	-42.64
CC(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041728	0	43	-1.0	-43.80	338.21	1.18	-42.62
CC(C)(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005041729	0	38	-1.0	-45.28	314.00	-4.16	-49.44
C=CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041730	0	41	-1.0	-44.12	331.57	1.04	-43.08
CC(C)(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005041731	0	38	-1.0	-48.17	309.13	-2.52	-50.69
CC(O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041732	0	41	-1.0	-44.29	329.45	-1.75	-46.04
C[C@@H](O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041733	0	41	-1.0	-44.28	329.46	-1.75	-46.03
C[C@H](O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041734	0	41	-1.0	-45.39	329.46	-1.75	-47.14
CC=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041735	0	41	-1.0	-44.20	332.21	1.13	-43.07
COCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041736	0	41	-1.0	-46.42	331.37	-0.11	-46.53
CCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041737	0	43	-1.0	-43.83	340.15	1.29	-42.54
CC(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041738	0	43	-1.0	-43.51	338.20	1.18	-42.33
CCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041739	0	40	-1.0	-43.99	318.65	0.53	-43.46
CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041740	0	37	-1.0	-44.35	298.06	-0.29	-44.64
CC(C)(C)C(CNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041741	0	41	-1.0	-43.95	329.16	1.30	-42.65
CC(C)(C)C(CNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005041742	0	38	-1.0	-47.10	313.99	-4.16	-51.26
CC(C)(C)C(CNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005041743	0	38	-1.0	-47.81	309.12	-2.39	-50.20
CC(O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041744	0	41	-1.0	-44.36	329.45	-1.61	-45.97
CC(=O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041745	0	39	-1.0	-45.40	320.91	-0.34	-45.74
CC=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041746	0	41	-1.0	-44.27	332.22	1.13	-43.14
C[C@H](O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041747	0	41	-1.0	-44.35	329.45	-1.61	-45.96
C=CCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041748	0	41	-1.0	-44.06	331.56	1.07	-42.99
CC(C)(C)C(CNC(=O)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005041749	0	38	-1.0	-50.75	318.11	0.20	-50.55
C[C@@H](O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041750	0	41	-1.0	-44.96	329.45	-1.61	-46.57
C=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005041751	0	38	-1.0	-44.48	310.50	0.24	-44.24
CCC(=O)NCCN(CCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005041752	0	38	-1.0	-50.20	320.63	-0.35	-50.55
COCCN(CCNC(C)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005041753	0	35	-1.0	-50.49	300.33	-1.16	-51.65
COCCN(CCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041754	0	39	-1.0	-49.98	331.19	0.42	-49.56
CCCC(=O)NCCN(CCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005041755	0	41	-1.0	-49.99	342.13	0.42	-49.57
COCCN(CCNC(=O)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005041756	0	41	-1.0	-49.83	340.19	0.33	-49.50
C=CCC(=O)NCCN(CCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005041757	0	39	-1.0	-50.32	333.55	0.19	-50.13
COCCN(CCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005041758	0	36	-1.0	-55.00	311.10	-3.27	-58.27
CC=CC(=O)NCCN(CCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005041759	0	39	-1.0	-50.17	334.21	0.26	-49.91
CCCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)CCOC	REAL250005041760	0	41	-1.0	-50.30	337.20	0.73	-49.57
COCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C	REAL250005041761	0	41	-1.0	-48.95	334.38	0.76	-48.19
CCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)CCOC	REAL250005041762	0	38	-1.0	-49.20	318.02	0.12	-49.08
COCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(C)=O	REAL250005041763	0	35	-1.0	-49.57	297.21	-0.68	-50.25
COCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005041764	0	39	-1.0	-49.76	331.24	0.83	-48.93
COCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005041765	0	36	-1.0	-53.66	308.49	-2.86	-56.52
COCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)=O	REAL250005041766	0	37	-1.0	-53.62	322.64	-0.47	-54.09
CC=CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)CCOC	REAL250005041767	0	39	-1.0	-50.83	330.68	0.48	-50.35
C=CCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)CCOC	REAL250005041768	0	39	-1.0	-49.25	330.94	0.66	-48.59
COCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005041769	0	36	-1.0	-56.83	317.48	-0.20	-57.03
C=CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)CCOC	REAL250005041770	0	36	-1.0	-49.47	310.87	-0.09	-49.56
CCC(=O)N[C@H](C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041771	0	41	-1.0	-51.46	323.92	2.12	-49.34
CC(=O)N[C@H](C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041772	0	38	-1.0	-51.61	303.37	1.31	-50.30
C[C@@H](NC(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041773	0	39	-1.0	-56.36	314.40	-0.80	-57.16
CCC(=O)N1CCC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041774	0	41	-1.0	-47.70	326.81	2.30	-45.40
CC(=O)N1CCC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041775	0	38	-1.0	-51.72	305.54	1.48	-50.24
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)CC1	REAL250005041776	0	39	-1.0	-52.08	312.63	-0.89	-52.97
C=CC(=O)N1CCC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041777	0	39	-1.0	-49.20	312.94	1.70	-47.50
CCC(=O)N[C@@H](C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041778	0	41	-1.0	-49.66	318.74	1.84	-47.82
CC(=O)N[C@@H](C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041779	0	38	-1.0	-49.93	298.43	1.03	-48.90
C[C@H](NC(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041780	0	39	-1.0	-54.38	309.21	-1.07	-55.45
CCC(=O)N1CCC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041781	0	41	-1.0	-47.35	321.63	2.02	-45.33
CC(=O)N1CCC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041782	0	38	-1.0	-49.41	300.40	1.19	-48.22
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)CC1	REAL250005041783	0	39	-1.0	-51.96	312.12	-0.87	-52.83
C=CC(=O)N1CCC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041784	0	39	-1.0	-47.67	312.42	1.74	-45.93
CCC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041785	0	35	-1.0	-47.74	292.05	0.71	-47.03
COCCC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041786	0	39	-1.0	-47.26	325.73	-0.22	-47.48
CC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041787	0	32	-1.0	-47.97	270.78	-0.10	-48.07
CN(C(=O)C1CC1)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041788	0	36	-1.0	-50.07	301.64	1.48	-48.59
CN(C(=O)C1CCC1)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041789	0	39	-1.0	-47.51	316.70	1.92	-45.59
CN(C(=O)CC1CC1)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041790	0	39	-1.0	-46.96	321.82	2.29	-44.67
CN(C(=O)C(C)(C)F)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041791	0	38	-1.0	-45.34	312.59	1.09	-44.25
COCC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041792	0	36	-1.0	-50.85	304.77	0.09	-50.76
CCCC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041793	0	38	-1.0	-47.50	313.55	1.47	-46.03
CC(C)CC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041794	0	41	-1.0	-47.03	330.27	2.07	-44.96
CC1CC1C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041795	0	39	-1.0	-50.06	322.97	2.16	-47.90
CCOCC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041796	0	39	-1.0	-50.80	326.63	1.05	-49.75
CC(C)=CC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041797	0	39	-1.0	-46.97	320.59	1.98	-44.99
CSCC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041798	0	36	-1.0	-49.92	315.11	1.16	-48.76
CCCCC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041799	0	41	-1.0	-47.56	335.05	2.25	-45.31
CC(C)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041800	0	38	-1.0	-47.02	309.08	1.14	-45.88
CCC(C)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041801	0	41	-1.0	-47.42	324.81	1.73	-45.69
COC(C)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041802	0	39	-1.0	-50.74	319.45	0.56	-50.18
C=CCCC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041803	0	39	-1.0	-47.42	326.36	2.04	-45.38
CC=C(C)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041804	0	39	-1.0	-47.67	321.09	1.68	-45.99
CN(C(=O)C1(C)CC1)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041805	0	39	-1.0	-44.41	311.87	3.06	-41.35
C[C@@H]1C[C@H]1C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041806	0	39	-1.0	-49.99	323.01	2.14	-47.85
CCC(F)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041807	0	38	-1.0	-48.27	318.73	1.49	-46.78
CN(C(=O)CCCF)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041808	0	38	-1.0	-50.20	320.14	1.61	-48.59
C[C@H]1C[C@@H]1C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041809	0	39	-1.0	-47.47	323.87	2.11	-45.36
CN(C(=O)C(N)=O)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041810	0	33	-1.0	-46.66	282.66	-3.79	-50.45
CN(C(=O)C(C)(C)C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041811	0	41	-1.0	-46.87	321.24	1.31	-45.56
C=CCC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041812	0	36	-1.0	-47.84	304.96	1.25	-46.59
CN(C(=O)C[NH+](C)C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041813	0	41	0.0	-71.25	327.64	1.39	-69.86
CN(C)CC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041813	1	40	-1.0	-47.95	325.55	-1.01	-48.96
C=CC(O)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041814	0	37	-1.0	-47.41	311.16	-1.10	-48.51
CN(C(=O)C1COC1)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041815	0	37	-1.0	-50.42	307.82	-0.78	-51.20
CO[C@H](C)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041816	0	39	-1.0	-50.74	319.45	0.56	-50.18
CCC=CC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041817	0	39	-1.0	-47.59	325.89	2.07	-45.52
CN(C(=O)CO)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041819	0	33	-1.0	-52.46	282.52	-2.19	-54.65
CC(O)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041820	0	36	-1.0	-47.87	299.10	-1.65	-49.52
CN(C(=O)C1CC1F)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041821	0	36	-1.0	-44.82	302.01	2.84	-41.98
CN(C(=O)CCF)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041822	0	35	-1.0	-46.79	298.64	0.85	-45.94
CN(C(=O)C=CCF)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041823	0	36	-1.0	-49.71	310.99	1.43	-48.28
C#CCCC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041824	0	37	-1.0	-47.55	319.33	1.99	-45.56
CN(C(=O)C1CCO1)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041825	0	37	-1.0	-55.21	309.30	0.22	-54.99
CN(C(=O)C(C)(C)O)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041826	0	39	-1.0	-45.87	317.21	-1.68	-47.55
CC1=CC1C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041827	0	37	-1.0	-48.24	316.96	2.16	-46.08
C[C@@H](O)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041828	0	36	-1.0	-52.17	298.09	-1.68	-53.85
CN(C(=O)C=CCO)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041829	0	37	-1.0	-51.04	315.91	-2.05	-53.09
CN(C(=O)C1=CCC1)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041830	0	37	-1.0	-51.42	307.23	1.83	-49.59
CON=CC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041831	0	36	-1.0	-50.00	313.90	-0.77	-50.77
CN(C(=O)C1(F)CC1)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041832	0	36	-1.0	-47.44	306.72	1.48	-45.96
CC=C(F)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041833	0	36	-1.0	-45.22	308.22	1.30	-43.92
CC(CO)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041834	0	39	-1.0	-46.96	319.85	-2.15	-49.11
C[C@H](O)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041835	0	36	-1.0	-48.48	297.74	-1.65	-50.13
C=C1CC1C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041836	0	37	-1.0	-46.94	314.14	2.05	-44.89
CC(CF)C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041837	0	38	-1.0	-45.95	315.24	1.25	-44.70
C=C(C)CC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041838	0	39	-1.0	-47.54	326.31	1.89	-45.65
CC=CC(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041839	0	36	-1.0	-47.83	304.80	1.31	-46.52
C[C@@H]1C[C@H]1C(=O)N(C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041840	0	39	-1.0	-49.99	323.01	2.14	-47.85
CN(C(=O)C1(O)CC1)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041841	0	37	-1.0	-47.99	313.17	-1.89	-49.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)CC2CC2)C1	REAL250005041842	0	39	-1.0	-43.96	312.62	3.39	-40.57
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C(C)(C)F)C1	REAL250005041843	0	38	-1.0	-47.61	315.48	1.32	-46.29
COCC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041844	0	36	-1.0	-52.35	302.55	-0.04	-52.39
CCCC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041845	0	38	-1.0	-48.99	311.32	1.37	-47.62
CC(C)CC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041846	0	41	-1.0	-48.53	328.05	1.95	-46.58
CC1CC1C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041847	0	39	-1.0	-48.78	321.71	2.05	-46.73
CCOCC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041848	0	39	-1.0	-52.36	324.40	0.92	-51.44
CC(C)=CC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041849	0	39	-1.0	-48.18	315.84	1.78	-46.40
CSCC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041850	0	36	-1.0	-51.53	312.89	1.03	-50.50
CCCCC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041851	0	41	-1.0	-49.08	332.82	2.15	-46.93
CC(C)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041852	0	38	-1.0	-48.76	309.35	1.28	-47.48
CCC(C)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041853	0	41	-1.0	-48.85	324.04	1.79	-47.06
COC(C)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041854	0	39	-1.0	-52.02	322.31	0.67	-51.35
C=CCCC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041855	0	39	-1.0	-48.94	324.14	1.93	-47.01
CC(C#N)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041856	0	36	-1.0	-47.10	296.77	1.85	-45.25
CC=C(C)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041857	0	39	-1.0	-49.20	314.68	1.77	-47.43
CCC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041858	0	35	-1.0	-49.25	289.83	0.60	-48.65
COCCC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041859	0	39	-1.0	-48.91	323.50	-0.33	-49.24
CC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041860	0	32	-1.0	-47.76	269.10	-0.15	-47.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C2CC2)C1	REAL250005041861	0	36	-1.0	-49.03	296.90	1.24	-47.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C2CCC2)C1	REAL250005041862	0	39	-1.0	-48.79	316.41	1.90	-46.89
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C(N)=O)C1	REAL250005041863	0	33	-1.0	-47.17	281.72	-4.19	-51.36
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C(C)(C)C)C1	REAL250005041864	0	41	-1.0	-48.72	325.15	1.73	-46.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C2(C)CC2)C1	REAL250005041865	0	39	-1.0	-48.63	318.04	1.99	-46.64
C[C@@H]1C[C@H]1C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041866	0	39	-1.0	-48.90	321.54	2.05	-46.85
CCC(F)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041867	0	38	-1.0	-44.91	309.53	2.64	-42.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)CCCF)C1	REAL250005041868	0	38	-1.0	-51.93	317.92	1.51	-50.42
C[C@H]1C[C@@H]1C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041869	0	39	-1.0	-48.93	318.26	1.89	-47.04
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)CO)C1	REAL250005041870	0	33	-1.0	-54.00	280.29	-2.33	-56.33
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C2CCO2)C1	REAL250005041871	0	37	-1.0	-53.24	308.14	0.11	-53.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C2COC2)C1	REAL250005041872	0	37	-1.0	-44.62	299.15	0.36	-44.26
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C=CCO)C1	REAL250005041873	0	37	-1.0	-52.53	311.04	-2.28	-54.81
CCC=CC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041874	0	39	-1.0	-48.96	321.03	1.84	-47.12
C#CCCC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041875	0	37	-1.0	-49.24	317.11	1.88	-47.36
C=CC(O)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041876	0	37	-1.0	-49.61	311.17	-0.81	-50.42
CC(O)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041877	0	36	-1.0	-44.95	288.71	-0.57	-45.52
CC(=O)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041878	0	34	-1.0	-46.28	289.11	-0.37	-46.65
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C2(F)CC2)C1	REAL250005041879	0	36	-1.0	-46.33	302.91	1.30	-45.03
CC=C(F)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041880	0	36	-1.0	-46.27	304.91	1.16	-45.11
CC(CO)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041881	0	39	-1.0	-48.81	316.51	-2.15	-50.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C2(O)CC2)C1	REAL250005041882	0	37	-1.0	-48.61	305.17	-1.84	-50.45
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C2=CCC2)C1	REAL250005041883	0	37	-1.0	-49.66	307.72	1.82	-47.84
CC(CF)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041884	0	38	-1.0	-47.93	311.90	1.28	-46.65
CC=CC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041885	0	36	-1.0	-49.14	299.94	1.08	-48.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C=CCF)C1	REAL250005041886	0	36	-1.0	-51.22	306.13	1.20	-50.02
C[C@H](O)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041888	0	36	-1.0	-53.54	297.01	-1.63	-55.17
CON=CC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041889	0	36	-1.0	-52.06	308.83	-0.94	-53.00
C[C@@H]1C[C@H]1C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041890	0	39	-1.0	-48.90	321.54	2.05	-46.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C(C)(C)O)C1	REAL250005041891	0	39	-1.0	-47.52	320.30	-1.98	-49.50
C=C(C)CC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041892	0	39	-1.0	-49.07	324.35	1.80	-47.27
C=CCC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041893	0	36	-1.0	-49.38	302.74	1.14	-48.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C[NH+](C)C)C1	REAL250005041894	0	41	0.0	-74.45	325.41	1.32	-73.13
CN(C)CC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041894	1	40	-1.0	-49.50	323.33	-1.07	-50.57
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)CC#N)C1	REAL250005041895	0	33	-1.0	-58.74	289.28	0.27	-58.47
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C2CC2F)C1	REAL250005041896	0	36	-1.0	-46.51	306.99	1.52	-44.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)CCF)C1	REAL250005041897	0	35	-1.0	-48.59	296.42	0.74	-47.85
CO[C@H](C)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041898	0	39	-1.0	-52.32	319.20	0.55	-51.77
C[C@@H](O)C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041899	0	36	-1.0	-50.16	300.44	-1.54	-51.70
C=C1CC1C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041900	0	37	-1.0	-45.06	305.84	3.18	-41.88
CC1=CC1C(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041901	0	37	-1.0	-49.51	315.28	2.09	-47.42
C=CC(=O)NC1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041902	0	33	-1.0	-49.26	278.22	0.20	-49.06
CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005041903	0	39	-1.0	-48.67	301.58	1.64	-47.03
CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005041904	0	39	-1.0	-50.22	307.25	1.93	-48.29
CCC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005041905	0	38	-1.0	-55.18	324.16	0.38	-54.80
CC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005041906	0	35	-1.0	-51.12	302.41	-0.98	-52.10
CN(CCOCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005041907	0	39	-1.0	-46.60	335.79	0.63	-45.97
CCCC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005041908	0	41	-1.0	-55.28	345.65	1.15	-54.13
CC(C)C(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005041909	0	41	-1.0	-55.46	338.79	0.75	-54.71
C=CCC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005041910	0	39	-1.0	-55.19	337.07	0.92	-54.27
CN(CCOCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005041911	0	36	-1.0	-60.67	314.62	-2.60	-63.27
CC=CC(=O)N(C)CCOCCNC(=O)C1=CC(=O)[N-]O1	REAL250005041912	0	39	-1.0	-46.97	338.10	0.51	-46.46
CCCC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041913	0	41	-1.0	-51.00	343.14	0.64	-50.36
CC(C)C(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041914	0	41	-1.0	-50.81	341.20	0.54	-50.27
CCC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041915	0	38	-1.0	-51.18	321.64	-0.13	-51.31
CC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041916	0	35	-1.0	-51.48	301.35	-0.95	-52.43
CN(CCOCCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005041917	0	39	-1.0	-51.12	333.15	0.55	-50.57
CN(CCOCCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005041918	0	36	-1.0	-56.02	312.11	-3.05	-59.07
CC(=O)C(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041919	0	37	-1.0	-47.96	323.91	-0.98	-48.94
CC=CC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041920	0	39	-1.0	-51.19	335.22	0.48	-50.71
C=CCC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041921	0	39	-1.0	-51.25	334.55	0.41	-50.84
CN(CCOCCNC(=O)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005041922	0	36	-1.0	-60.03	321.12	-0.46	-60.49
C=CC(=O)NCCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041923	0	36	-1.0	-51.32	313.50	-0.41	-51.73
CCC(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041924	0	36	-1.0	-48.88	300.50	1.17	-47.71
CC(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041925	0	33	-1.0	-49.02	280.65	0.41	-48.61
O=C(NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005041926	0	37	-1.0	-48.61	311.02	1.94	-46.67
COCC(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041927	0	37	-1.0	-51.92	313.22	0.53	-51.39
CCCC(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041928	0	39	-1.0	-48.69	322.00	1.93	-46.76
CC(C)C(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041929	0	39	-1.0	-48.34	320.49	1.89	-46.45
NC(=O)C(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041930	0	34	-1.0	-47.18	296.29	-3.45	-50.63
C=CCC(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041931	0	37	-1.0	-48.97	313.41	1.71	-47.26
O=C(CO)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041932	0	34	-1.0	-53.58	290.97	-1.75	-55.33
CC(O)C(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041933	0	37	-1.0	-49.63	311.74	-0.90	-50.53
O=C(CCF)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041934	0	36	-1.0	-48.02	307.53	1.37	-46.65
C[C@@H](O)C(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041935	0	37	-1.0	-49.76	311.29	-0.96	-50.72
C[C@H](O)C(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041936	0	37	-1.0	-49.51	311.30	-0.96	-50.47
CC=CC(=O)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041937	0	37	-1.0	-48.61	314.52	1.83	-46.78
COCC(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041938	0	37	-1.0	-51.16	316.44	0.74	-50.42
CCCC(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041939	0	39	-1.0	-47.86	325.22	2.11	-45.75
CC(C)C(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041940	0	39	-1.0	-47.64	322.70	1.87	-45.77
CCC(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041941	0	36	-1.0	-48.11	303.72	1.36	-46.75
CC(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041942	0	33	-1.0	-48.42	281.79	0.50	-47.92
O=C(NCC1=CCN(C(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005041943	0	37	-1.0	-47.93	313.33	2.07	-45.86
NC(=O)C(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041944	0	34	-1.0	-45.54	296.17	-3.44	-48.98
O=C(CO)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041945	0	34	-1.0	-52.92	294.20	-1.55	-54.47
CC(O)C(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041946	0	37	-1.0	-52.20	311.39	-1.03	-53.23
CC(=O)C(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041947	0	35	-1.0	-44.92	303.03	0.48	-44.44
CC=CC(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041948	0	37	-1.0	-48.13	316.18	1.92	-46.21
C[C@H](O)C(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041949	0	37	-1.0	-52.41	309.60	-1.07	-53.48
C=CCC(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041950	0	37	-1.0	-48.23	316.64	1.89	-46.34
N#CCC(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041951	0	34	-1.0	-57.01	303.19	1.04	-55.97
O=C(CCF)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041952	0	36	-1.0	-47.08	310.33	1.50	-45.58
C[C@@H](O)C(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041953	0	37	-1.0	-48.33	310.91	-1.00	-49.33
C=CC(=O)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005041954	0	34	-1.0	-48.36	294.49	1.05	-47.31
CCC(=O)NC1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041955	0	38	-1.0	-58.09	301.35	1.24	-56.85
CC(=O)NC1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041956	0	35	-1.0	-57.86	281.06	0.42	-57.44
CC1CCC(NC(=O)C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041957	0	39	-1.0	-54.60	308.28	2.22	-52.38
COCC(=O)NC1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041958	0	39	-1.0	-62.30	314.07	0.60	-61.70
CCCC(=O)NC1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041959	0	41	-1.0	-58.18	322.84	2.00	-56.18
CC(C)C(=O)NC1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041960	0	41	-1.0	-57.93	320.90	1.90	-56.03
CC1CCC(NC(=O)C(N)=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041961	0	36	-1.0	-51.59	293.18	-3.23	-54.82
C=CCC(=O)NC1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041962	0	39	-1.0	-58.64	314.26	1.78	-56.86
CC1CCC(NC(=O)CO)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041963	0	36	-1.0	-63.92	291.81	-1.68	-65.60
CC(O)C(=O)NC1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041964	0	39	-1.0	-58.94	308.97	-0.72	-59.66
CC1CCC(NC(=O)CCF)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041965	0	38	-1.0	-56.06	307.94	1.38	-54.68
C[C@@H](O)C(=O)NC1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041966	0	39	-1.0	-57.81	312.08	-0.91	-58.72
C[C@H](O)C(=O)NC1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041967	0	39	-1.0	-52.32	308.57	-0.69	-53.01
CC=CC(=O)NC1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005041968	0	39	-1.0	-53.56	311.40	2.06	-51.50
COCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041969	0	39	-1.0	-46.74	316.91	0.64	-46.10
CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041970	0	41	-1.0	-43.97	325.69	2.19	-41.78
CC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041971	0	41	-1.0	-44.84	321.42	1.85	-42.99
CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041972	0	38	-1.0	-43.93	304.29	1.41	-42.52
CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041973	0	35	-1.0	-47.48	280.34	0.84	-46.64
CC1CCC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC1	REAL250005041974	0	39	-1.0	-45.51	313.83	2.14	-43.37
CC1CCC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(N)=O	REAL250005041975	0	36	-1.0	-47.95	296.59	-3.51	-51.46
CC1CCC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CO	REAL250005041976	0	36	-1.0	-47.92	294.66	-1.65	-49.57
CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041977	0	39	-1.0	-47.68	311.32	-1.15	-48.83
CC(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041978	0	37	-1.0	-46.16	303.68	0.29	-45.87
CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041979	0	39	-1.0	-44.61	316.66	1.97	-42.64
C[C@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041980	0	39	-1.0	-47.07	300.82	-1.11	-48.18
C=CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041981	0	39	-1.0	-44.41	317.10	1.96	-42.45
CC1CCC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC#N	REAL250005041982	0	36	-1.0	-49.37	303.65	1.11	-48.26
CC1CCC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCF	REAL250005041983	0	38	-1.0	-44.34	310.77	1.57	-42.77
C[C@@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041984	0	39	-1.0	-44.39	309.20	-1.16	-45.55
C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041985	0	36	-1.0	-44.74	294.94	1.09	-43.65
CCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041986	0	41	-1.0	-51.22	326.53	1.92	-49.30
CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041987	0	38	-1.0	-45.96	299.18	0.84	-45.12
CC1CCN(C(=O)CO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005041988	0	39	-1.0	-56.41	317.01	-0.98	-57.39
CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041989	0	41	-1.0	-45.88	317.35	1.41	-44.47
CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041990	0	38	-1.0	-46.24	296.77	0.60	-45.64
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CO	REAL250005041991	0	39	-1.0	-49.91	307.82	-1.51	-51.42
C=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005041992	0	39	-1.0	-46.37	309.21	1.12	-45.25
CCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041993	0	37	-1.0	-53.60	313.60	0.45	-53.15
COCCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041994	0	41	-1.0	-53.15	347.27	-0.48	-53.63
CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041995	0	34	-1.0	-48.93	288.81	0.52	-48.41
CC(CC(C)NC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041996	0	38	-1.0	-48.76	319.93	2.10	-46.66
CC(CC(C)NC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005041997	0	41	-1.0	-53.99	337.48	1.44	-52.55
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005041998	0	41	-1.0	-54.00	344.53	1.99	-52.01
COCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005041999	0	38	-1.0	-57.40	326.32	-0.19	-57.59
CCCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042000	0	40	-1.0	-53.63	335.10	1.21	-52.42
CC(C)CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042001	0	43	-1.0	-53.05	351.82	1.81	-51.24
CC(CC(C)NC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042002	0	41	-1.0	-53.93	345.49	1.89	-52.04
CCOCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042003	0	41	-1.0	-57.53	348.17	0.77	-56.76
CC(C)=CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042004	0	41	-1.0	-47.83	338.89	2.66	-45.17
CCCCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042005	0	43	-1.0	-53.78	356.60	1.99	-51.79
CC(C)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042006	0	40	-1.0	-53.27	331.75	0.70	-52.57
CCC(C)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042007	0	43	-1.0	-53.27	350.36	1.35	-51.92
COC(C)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042008	0	41	-1.0	-51.04	341.10	1.45	-49.59
C=CCCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042009	0	41	-1.0	-53.16	347.91	1.77	-51.39
CC=C(C)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042010	0	41	-1.0	-53.87	338.89	1.38	-52.49
CC(CC(C)NC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042011	0	41	-1.0	-54.10	341.87	1.83	-52.27
CC(CC(C)NC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042012	0	41	-1.0	-49.11	341.03	2.78	-46.33
CC(CC(C)NC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042013	0	41	-1.0	-53.96	345.49	1.89	-52.07
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005042014	0	35	-1.0	-51.36	304.13	-3.32	-54.68
CC(CC(C)NC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042015	0	43	-1.0	-54.09	352.03	1.68	-52.41
C=CCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042016	0	38	-1.0	-53.40	326.51	0.99	-52.41
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005042017	0	43	0.0	-65.44	349.18	1.17	-64.27
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005042017	1	42	-1.0	-53.92	347.10	-1.21	-55.13
C=CC(O)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042018	0	39	-1.0	-54.84	334.95	-0.96	-55.80
CC(CC(C)NC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042019	0	39	-1.0	-54.62	330.95	-1.05	-55.67
CO[C@H](C)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042020	0	41	-1.0	-57.26	346.10	0.53	-56.73
CCC=CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042021	0	41	-1.0	-53.87	348.26	1.84	-52.03
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005042023	0	35	-1.0	-58.81	304.07	-2.47	-61.28
CC(O)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042024	0	38	-1.0	-52.23	319.92	-0.80	-53.03
CC(CC(C)NC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005042025	0	38	-1.0	-59.79	330.32	1.29	-58.50
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005042026	0	37	-1.0	-52.19	320.19	0.59	-51.60
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005042027	0	38	-1.0	-55.39	333.35	1.19	-54.20
C#CCCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042028	0	39	-1.0	-53.53	340.88	1.73	-51.80
CC(CC(C)NC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042029	0	39	-1.0	-59.38	328.50	-0.16	-59.54
CC(CC(C)NC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005042030	0	41	-1.0	-51.03	340.93	-2.47	-53.50
CC1=CC1C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042031	0	39	-1.0	-50.42	334.97	2.81	-47.61
CC(CC(C)NC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005042032	0	38	-1.0	-55.32	324.40	-1.68	-57.00
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005042033	0	39	-1.0	-57.31	338.27	-2.29	-59.60
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005042034	0	39	-1.0	-48.87	323.00	2.59	-46.28
CON=CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042035	0	38	-1.0	-57.10	336.06	-0.96	-58.06
CC(CC(C)NC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042036	0	38	-1.0	-50.06	330.31	1.28	-48.78
CC=C(F)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042037	0	38	-1.0	-50.71	332.14	1.14	-49.57
CC(CC(C)NC(=O)C(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005042038	0	41	-1.0	-52.65	342.70	-2.60	-55.25
CC(CC(C)NC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005042039	0	38	-1.0	-52.24	319.94	-0.81	-53.05
C=C1CC1C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042040	0	39	-1.0	-43.35	326.30	2.46	-40.89
C=C(C)CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042041	0	41	-1.0	-53.67	348.12	1.64	-52.03
CC=CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042042	0	38	-1.0	-54.04	327.17	1.08	-52.96
CC(CC(C)NC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042043	0	41	-1.0	-49.11	341.03	2.78	-46.33
CC(CC(C)NC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042044	0	39	-1.0	-49.43	326.05	-0.85	-50.28
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005042045	0	41	-1.0	-54.00	344.53	1.99	-52.01
COCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042046	0	38	-1.0	-57.40	326.32	-0.19	-57.59
CCCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042047	0	40	-1.0	-53.63	335.10	1.21	-52.42
CC(C)CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042048	0	43	-1.0	-53.05	351.82	1.81	-51.24
CC(CC(C)NC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042049	0	41	-1.0	-53.93	345.49	1.89	-52.04
CCOCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042050	0	41	-1.0	-57.53	348.17	0.77	-56.76
CC(C)=CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042051	0	41	-1.0	-47.83	338.89	2.66	-45.17
CCCCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042052	0	43	-1.0	-53.78	356.60	1.99	-51.79
CC(C)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042053	0	40	-1.0	-53.27	331.75	0.70	-52.57
CCC(C)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042054	0	43	-1.0	-53.27	350.36	1.35	-51.92
COC(C)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042055	0	41	-1.0	-51.04	341.10	1.45	-49.59
C=CCCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042056	0	41	-1.0	-53.16	347.91	1.77	-51.39
CC(C#N)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042057	0	38	-1.0	-61.62	331.25	0.33	-61.29
CC=C(C)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042058	0	41	-1.0	-53.87	338.89	1.38	-52.49
CCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042059	0	37	-1.0	-53.60	313.60	0.45	-53.15
COCCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042060	0	41	-1.0	-53.15	347.27	-0.48	-53.63
CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042061	0	34	-1.0	-48.93	288.81	0.52	-48.41
CC(CC(C)NC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042062	0	38	-1.0	-48.76	319.93	2.10	-46.66
CC(CC(C)NC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042063	0	41	-1.0	-53.99	337.48	1.44	-52.55
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005042064	0	35	-1.0	-51.36	304.13	-3.32	-54.68
CC(CC(C)NC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042065	0	43	-1.0	-54.09	352.03	1.68	-52.41
CC(CC(C)NC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042066	0	41	-1.0	-54.10	341.87	1.83	-52.27
CC(CC(C)NC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042067	0	41	-1.0	-49.11	341.03	2.78	-46.33
CC(CC(C)NC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042068	0	41	-1.0	-53.96	345.49	1.89	-52.07
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005042069	0	35	-1.0	-58.81	304.07	-2.47	-61.28
CC(CC(C)NC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042070	0	39	-1.0	-59.38	328.50	-0.16	-59.54
CC(CC(C)NC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042071	0	39	-1.0	-54.62	330.95	-1.05	-55.67
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005042072	0	39	-1.0	-57.31	338.27	-2.29	-59.60
CCC=CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042073	0	41	-1.0	-53.87	348.26	1.84	-52.03
C#CCCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042074	0	39	-1.0	-53.53	340.88	1.73	-51.80
C=CC(O)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042075	0	39	-1.0	-54.84	334.95	-0.96	-55.80
CC(O)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042076	0	38	-1.0	-52.23	319.92	-0.80	-53.03
CC(=O)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042077	0	36	-1.0	-49.50	310.56	0.46	-49.04
CC(CC(C)NC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042078	0	38	-1.0	-50.06	330.31	1.28	-48.78
CC=C(F)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042079	0	38	-1.0	-50.71	332.14	1.14	-49.57
CC(CC(C)NC(=O)C(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005042080	0	41	-1.0	-52.65	342.70	-2.60	-55.25
CC(CC(C)NC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042081	0	39	-1.0	-49.43	326.05	-0.85	-50.28
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005042082	0	39	-1.0	-48.87	323.00	2.59	-46.28
CC=CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042083	0	38	-1.0	-54.04	327.17	1.08	-52.96
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005042084	0	38	-1.0	-55.39	333.35	1.19	-54.20
CC(CC(C)NC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005042086	0	38	-1.0	-52.24	319.94	-0.81	-53.05
CON=CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042087	0	38	-1.0	-57.10	336.06	-0.96	-58.06
CC(CC(C)NC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042088	0	41	-1.0	-49.11	341.03	2.78	-46.33
CC(CC(C)NC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005042089	0	41	-1.0	-51.03	340.93	-2.47	-53.50
C=C(C)CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042090	0	41	-1.0	-53.67	348.12	1.64	-52.03
C=CCC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042091	0	38	-1.0	-53.40	326.51	0.99	-52.41
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005042092	0	43	0.0	-65.44	349.18	1.17	-64.27
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005042092	1	42	-1.0	-53.92	347.10	-1.21	-55.13
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CC#N	REAL250005042093	0	35	-1.0	-62.47	313.06	0.13	-62.34
CC(CC(C)NC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005042094	0	38	-1.0	-59.79	330.32	1.29	-58.50
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005042095	0	37	-1.0	-52.19	320.19	0.59	-51.60
CO[C@H](C)C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042096	0	41	-1.0	-57.26	346.10	0.53	-56.73
CC(CC(C)NC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005042097	0	38	-1.0	-55.32	324.40	-1.68	-57.00
C=C1CC1C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042098	0	39	-1.0	-43.35	326.30	2.46	-40.89
CC1=CC1C(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042099	0	39	-1.0	-50.42	334.97	2.81	-47.61
C=CC(=O)NC(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042100	0	35	-1.0	-53.87	305.45	0.19	-53.68
CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042101	0	36	-1.0	-48.79	301.12	1.81	-46.98
CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042102	0	33	-1.0	-52.88	280.86	0.97	-51.91
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC3)C2)C1	REAL250005042103	0	37	-1.0	-54.88	312.71	2.60	-52.28
COCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042104	0	37	-1.0	-51.91	313.84	1.21	-50.70
CCCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042105	0	39	-1.0	-48.61	322.62	2.57	-46.04
CC(C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042106	0	39	-1.0	-52.06	321.14	2.30	-49.76
NC(=O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042107	0	34	-1.0	-50.67	294.40	-3.01	-53.68
C=CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042108	0	37	-1.0	-48.98	314.03	2.35	-46.63
O=C(CO)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042109	0	34	-1.0	-57.58	291.64	-1.11	-58.69
CC(O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042110	0	37	-1.0	-54.00	309.72	-0.51	-54.51
O=C(CCF)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042111	0	36	-1.0	-48.18	307.71	1.96	-46.22
C[C@@H](O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042112	0	37	-1.0	-52.90	307.67	-0.49	-53.39
C[C@H](O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042113	0	37	-1.0	-49.82	309.37	-0.46	-50.28
CC=CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042114	0	37	-1.0	-52.75	314.60	2.37	-50.38
COCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042115	0	37	-1.0	-52.07	316.10	1.22	-50.85
CCCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042116	0	39	-1.0	-48.92	324.88	2.59	-46.33
CC(C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042117	0	39	-1.0	-55.77	322.92	2.37	-53.40
CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042118	0	36	-1.0	-49.10	303.38	1.83	-47.27
CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042119	0	33	-1.0	-49.32	281.41	0.94	-48.38
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC1)C2	REAL250005042120	0	37	-1.0	-56.49	311.82	2.53	-53.96
NC(=O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042121	0	34	-1.0	-49.27	295.67	-2.89	-52.16
O=C(CO)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042122	0	34	-1.0	-53.62	293.85	-1.06	-54.68
CC(O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042123	0	37	-1.0	-49.19	309.55	-0.49	-49.68
CC(=O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042124	0	35	-1.0	-47.17	301.52	0.95	-46.22
CC=CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042125	0	37	-1.0	-56.23	315.99	2.43	-53.80
C[C@H](O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042126	0	37	-1.0	-61.01	307.81	-0.59	-61.60
C=CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042127	0	37	-1.0	-49.15	316.29	2.37	-46.78
N#CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042128	0	34	-1.0	-57.11	302.85	1.51	-55.60
O=C(CCF)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042129	0	36	-1.0	-48.52	309.97	1.97	-46.55
C[C@@H](O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042130	0	37	-1.0	-49.14	308.79	-0.52	-49.66
C=CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005042131	0	34	-1.0	-49.41	294.49	1.51	-47.90
CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005042132	0	39	-1.0	-49.02	315.79	0.58	-48.44
CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005042133	0	36	-1.0	-49.31	295.48	-0.23	-49.54
O=C(CO)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005042134	0	37	-1.0	-53.46	306.26	-2.34	-55.80
CCC(=O)N1CCCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042135	0	39	-1.0	-49.65	319.51	0.66	-48.99
CC(=O)N1CCCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042136	0	36	-1.0	-47.89	298.21	-0.15	-48.04
O=C(CO)N1CCCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042137	0	37	-1.0	-54.52	309.98	-2.24	-56.76
C=CC(=O)N1CCCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042138	0	37	-1.0	-47.41	310.31	0.44	-46.97
CCC(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042139	0	37	-1.0	-44.03	295.26	1.72	-42.31
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)CCOC	REAL250005042140	0	41	-1.0	-44.90	328.93	0.79	-44.11
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(C)=O	REAL250005042141	0	34	-1.0	-44.36	274.67	0.92	-43.44
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1CC1	REAL250005042142	0	38	-1.0	-44.37	305.86	2.51	-41.86
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1CCC1	REAL250005042143	0	41	-1.0	-44.13	325.52	2.55	-41.58
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)CC1CC1	REAL250005042144	0	41	-1.0	-43.93	326.19	3.27	-40.66
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)COC	REAL250005042145	0	38	-1.0	-46.20	307.98	1.09	-45.11
CCCC(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042146	0	40	-1.0	-43.82	316.76	2.49	-41.33
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)CC(C)C	REAL250005042147	0	43	-1.0	-43.51	333.49	3.07	-40.44
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1CC1C	REAL250005042148	0	41	-1.0	-44.18	328.49	3.23	-40.95
CCOCC(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042149	0	41	-1.0	-46.15	329.84	2.05	-44.10
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C=C(C)C	REAL250005042150	0	41	-1.0	-44.52	324.73	3.04	-41.48
CCCCC(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042151	0	43	-1.0	-43.81	338.26	3.27	-40.54
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C(C)C	REAL250005042152	0	40	-1.0	-43.80	314.81	2.39	-41.41
CCC(C)C(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042153	0	43	-1.0	-43.62	332.93	3.03	-40.59
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C(C)OC	REAL250005042154	0	41	-1.0	-45.66	327.77	1.79	-43.87
C=CCCC(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042155	0	41	-1.0	-43.94	329.57	3.05	-40.89
CC=C(C)C(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042156	0	41	-1.0	-44.73	323.58	3.01	-41.72
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1(C)CC1	REAL250005042157	0	41	-1.0	-44.17	323.53	3.11	-41.06
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C	REAL250005042158	0	41	-1.0	-44.29	327.18	3.17	-41.12
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)[C@H]1C[C@@H]1C	REAL250005042159	0	41	-1.0	-44.16	328.51	3.23	-40.93
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C(N)=O	REAL250005042160	0	35	-1.0	-49.77	290.61	-2.94	-52.71
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C(C)(C)C	REAL250005042161	0	43	-1.0	-43.69	333.69	2.96	-40.73
C=CCC(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042162	0	38	-1.0	-44.21	308.17	2.27	-41.94
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C[NH+](C)C	REAL250005042163	0	43	0.0	-59.27	330.85	2.44	-56.83
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)CN(C)C	REAL250005042163	1	42	-1.0	-44.45	328.76	0.06	-44.39
C=CC(O)C(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042164	0	39	-1.0	-44.23	316.62	0.32	-43.91
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1COC1	REAL250005042165	0	39	-1.0	-45.71	312.50	0.24	-45.47
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)[C@@H](C)OC	REAL250005042166	0	41	-1.0	-46.12	331.30	1.35	-44.77
CCC=CC(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042167	0	41	-1.0	-44.63	329.92	3.09	-41.54
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)CO	REAL250005042169	0	35	-1.0	-47.35	285.73	-1.20	-48.55
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C(C)O	REAL250005042170	0	38	-1.0	-44.84	306.06	-0.41	-45.25
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1CC1F	REAL250005042171	0	38	-1.0	-44.67	313.92	2.65	-42.02
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)CCF	REAL250005042172	0	37	-1.0	-44.06	301.85	1.86	-42.20
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C=CCF	REAL250005042173	0	38	-1.0	-45.68	315.02	2.45	-43.23
C#CCCC(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042174	0	39	-1.0	-44.84	322.54	3.01	-41.83
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1CCO1	REAL250005042175	0	39	-1.0	-45.28	313.74	1.24	-44.04
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C(C)(C)O	REAL250005042176	0	41	-1.0	-45.48	325.74	-0.86	-46.34
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1C=C1C	REAL250005042177	0	39	-1.0	-45.56	320.82	3.20	-42.36
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)[C@@H](C)O	REAL250005042178	0	38	-1.0	-44.37	307.35	-0.35	-44.72
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C=CCO	REAL250005042179	0	39	-1.0	-47.03	319.94	-1.03	-48.06
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1=CCC1	REAL250005042180	0	39	-1.0	-45.34	315.73	3.01	-42.33
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C=NOC	REAL250005042181	0	38	-1.0	-46.90	317.72	0.30	-46.60
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1(F)CC1	REAL250005042182	0	38	-1.0	-46.69	315.51	2.10	-44.59
CC=C(F)C(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042183	0	38	-1.0	-46.04	313.81	2.40	-43.64
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C(C)CO	REAL250005042184	0	41	-1.0	-45.13	325.39	-0.90	-46.03
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)[C@H](C)O	REAL250005042185	0	38	-1.0	-45.21	309.59	-0.85	-46.06
C=C1CC1C(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042186	0	39	-1.0	-44.76	320.68	3.12	-41.64
C=C(C)CC(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042187	0	41	-1.0	-44.05	329.52	2.91	-41.14
CC=CC(=O)NC[C@@H](C)N(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005042188	0	38	-1.0	-44.75	308.84	2.33	-42.42
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C	REAL250005042189	0	41	-1.0	-44.29	327.18	3.17	-41.12
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1(O)CC1	REAL250005042190	0	39	-1.0	-45.53	317.68	-1.02	-46.55
CCN(C(=O)CC1CC1)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042191	0	41	-1.0	-47.75	329.50	3.43	-44.32
CCN(C(=O)COC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042192	0	38	-1.0	-50.73	311.28	1.24	-49.49
CCCC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042193	0	40	-1.0	-47.41	320.06	2.65	-44.76
CCN(C(=O)CC(C)C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042194	0	43	-1.0	-47.03	336.79	3.23	-43.80
CCN(C(=O)C1CC1C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042195	0	41	-1.0	-47.63	331.49	3.35	-44.28
CCOCC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042196	0	41	-1.0	-50.81	333.13	2.20	-48.61
CCN(C(=O)C=C(C)C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042197	0	41	-1.0	-46.86	329.21	3.22	-43.64
CCCCC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042198	0	43	-1.0	-47.54	341.55	3.43	-44.11
CCN(C(=O)C(C)C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042199	0	40	-1.0	-49.11	313.83	2.69	-46.42
CCC(C)C(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042200	0	43	-1.0	-49.49	333.97	2.72	-46.77
CCN(C(=O)C(C)OC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042201	0	41	-1.0	-52.37	328.60	1.60	-50.77
C=CCCC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042202	0	41	-1.0	-47.77	332.87	3.21	-44.56
CCN(C(=O)C(C)C#N)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042203	0	38	-1.0	-56.88	314.98	1.70	-55.18
CC=C(C)C(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042204	0	41	-1.0	-48.17	330.56	2.96	-45.21
CCC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042205	0	37	-1.0	-47.44	298.56	1.88	-45.56
CCN(C(=O)CCOC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042206	0	41	-1.0	-47.49	332.23	0.95	-46.54
CCN(C(C)=O)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042207	0	34	-1.0	-49.05	283.03	0.63	-48.42
CCN(C(=O)C1CC1)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042208	0	38	-1.0	-47.48	309.31	2.62	-44.86
CCN(C(=O)C1CCC1)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042209	0	41	-1.0	-47.43	323.66	3.08	-44.35
CCN(C(=O)C(N)=O)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042210	0	35	-1.0	-46.37	292.06	-2.63	-49.00
CCN(C(=O)[C@@H]1C[C@H]1C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042211	0	41	-1.0	-46.76	333.83	2.85	-43.91
CCN(C(=O)[C@H]1C[C@@H]1C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042212	0	41	-1.0	-47.63	331.49	3.35	-44.28
CCN(C(=O)CO)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042213	0	35	-1.0	-52.02	289.03	-1.04	-53.06
CCN(C(=O)C1CCO1)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042214	0	39	-1.0	-52.84	317.22	1.05	-51.79
CCN(C(=O)C1COC1)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042215	0	39	-1.0	-47.04	317.49	-0.14	-47.18
CCN(C(=O)C=CCO)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042216	0	39	-1.0	-51.65	324.25	-0.83	-52.48
CCC=CC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042217	0	41	-1.0	-47.69	334.24	3.29	-44.40
C#CCCC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042218	0	39	-1.0	-47.82	325.84	3.16	-44.66
C=CC(O)C(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042219	0	39	-1.0	-49.22	317.74	0.10	-49.12
CCN(C(=O)C(C)O)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042220	0	38	-1.0	-54.17	306.98	-0.64	-54.81
CCN(C(=O)C(C)=O)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042221	0	36	-1.0	-45.61	298.91	1.18	-44.43
CC=C(F)C(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042222	0	38	-1.0	-45.74	314.97	2.48	-43.26
CCN(C(=O)C(C)CO)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042223	0	41	-1.0	-49.46	326.38	-1.23	-50.69
CCN(C(=O)C1=CCC1)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042224	0	39	-1.0	-48.39	311.50	2.85	-45.54
CC=CC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042225	0	38	-1.0	-47.66	313.15	2.53	-45.13
CCN(C(=O)C=CCF)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042226	0	38	-1.0	-50.38	319.33	2.65	-47.73
CCN(C(=O)[C@H](C)O)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042228	0	38	-1.0	-48.23	306.18	-0.55	-48.78
CCN(C(=O)C=NOC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042229	0	38	-1.0	-50.68	322.04	0.47	-50.21
CCN(C(=O)[C@@H]1C[C@H]1C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042230	0	41	-1.0	-46.76	333.83	2.85	-43.91
C=C(C)CC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042231	0	41	-1.0	-47.32	333.08	3.08	-44.24
C=CCC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042232	0	38	-1.0	-47.96	311.47	2.42	-45.54
CCN(C(=O)C[NH+](C)C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042233	0	43	0.0	-63.05	334.15	2.55	-60.50
CCN(C(=O)CN(C)C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042233	1	42	-1.0	-47.73	332.06	0.16	-47.57
CCN(C(=O)CC#N)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042234	0	35	-1.0	-54.03	300.36	1.06	-52.97
CCN(C(=O)C1CC1F)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042235	0	38	-1.0	-50.41	317.14	2.30	-48.11
CCN(C(=O)CCF)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042236	0	37	-1.0	-46.84	305.15	2.02	-44.82
CCN(C(=O)[C@@H](C)OC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042237	0	41	-1.0	-52.47	329.47	1.49	-50.98
CCN(C(=O)[C@@H](C)O)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042238	0	38	-1.0	-51.47	307.45	-0.75	-52.22
C=C1CC1C(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042239	0	39	-1.0	-47.65	322.87	3.20	-44.45
CCN(C(=O)C1C=C1C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042240	0	39	-1.0	-47.61	325.30	3.40	-44.21
C=CC(=O)N(CC)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042241	0	35	-1.0	-47.69	291.43	1.65	-46.04
CCC(=O)N1CCCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005042242	0	41	-1.0	-49.96	315.39	3.38	-46.58
CC(=O)N1CCCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005042243	0	38	-1.0	-50.12	293.97	2.40	-47.72
CN(C[C@H]1CCCCN1C(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005042244	0	39	-1.0	-55.25	306.07	0.26	-54.99
CCC(=O)N(C)C[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005042245	0	41	-1.0	-51.97	312.86	3.02	-48.95
CC(=O)N(C)C[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005042246	0	38	-1.0	-51.01	295.61	2.46	-48.55
CN(C[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005042247	0	39	-1.0	-56.06	305.87	0.34	-55.72
C=CC(=O)N(C)C[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005042248	0	39	-1.0	-51.76	306.94	2.96	-48.80
CCC(=O)NCCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042249	0	39	-1.0	-49.24	321.89	1.95	-47.29
CC(=O)NCCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042250	0	36	-1.0	-49.51	301.60	1.13	-48.38
O=C(CO)NCCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042251	0	37	-1.0	-53.93	312.36	-0.97	-54.90
CCC(=O)N1CC=C(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042252	0	39	-1.0	-48.52	325.17	2.13	-46.39
CC(=O)N1CC=C(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042253	0	36	-1.0	-48.92	304.86	1.35	-47.57
O=C(CO)N1CC=C(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042254	0	37	-1.0	-53.29	315.64	-0.77	-54.06
C=CC(=O)N1CC=C(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042255	0	37	-1.0	-48.83	315.89	1.83	-47.00
CCC(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042256	0	38	-1.0	-48.30	323.69	0.58	-47.72
CC(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042257	0	35	-1.0	-48.64	303.40	-0.24	-48.88
O=C(NCC1(CCNC(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005042258	0	39	-1.0	-49.61	335.07	1.21	-48.40
COCC(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042259	0	39	-1.0	-51.29	336.41	-0.06	-51.35
CCCC(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042260	0	41	-1.0	-48.05	345.18	1.35	-46.70
CC(C)C(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042261	0	41	-1.0	-47.96	343.24	1.25	-46.71
NC(=O)C(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042262	0	36	-1.0	-47.76	319.04	-4.09	-51.85
C=CCC(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042263	0	39	-1.0	-48.22	336.60	1.12	-47.10
O=C(CO)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042264	0	36	-1.0	-52.88	314.16	-2.34	-55.22
CC(O)C(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042265	0	39	-1.0	-49.47	334.47	-1.54	-51.01
O=C(CCF)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042266	0	38	-1.0	-47.44	330.28	0.72	-46.72
C[C@@H](O)C(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042267	0	39	-1.0	-49.50	335.41	-1.62	-51.12
C[C@H](O)C(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042268	0	39	-1.0	-48.58	335.42	-1.62	-50.20
CC=CC(=O)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042269	0	39	-1.0	-48.45	337.26	1.19	-47.26
COCC(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042270	0	39	-1.0	-52.78	337.34	-0.25	-53.03
CCCC(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042271	0	41	-1.0	-48.71	345.19	1.34	-47.37
CC(C)C(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042272	0	41	-1.0	-48.52	343.24	1.23	-47.29
CCC(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042273	0	38	-1.0	-48.93	323.69	0.57	-48.36
CC(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042274	0	35	-1.0	-49.25	303.38	-0.24	-49.49
O=C(NCCC1(CNC(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005042275	0	39	-1.0	-48.57	333.03	1.43	-47.14
NC(=O)C(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042276	0	36	-1.0	-47.57	319.03	-4.10	-51.67
O=C(CO)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042277	0	36	-1.0	-53.64	314.16	-2.35	-55.99
CC(O)C(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042278	0	39	-1.0	-54.27	333.42	-1.63	-55.90
CC(=O)C(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042279	0	37	-1.0	-46.53	325.94	-0.29	-46.82
CC=CC(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042280	0	39	-1.0	-48.96	337.26	1.17	-47.79
C[C@H](O)C(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042281	0	39	-1.0	-50.70	334.95	-1.72	-52.42
C=CCC(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042282	0	39	-1.0	-49.78	337.53	0.92	-48.86
N#CCC(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042283	0	36	-1.0	-57.51	323.15	0.24	-57.27
O=C(CCF)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042284	0	38	-1.0	-48.55	331.21	0.52	-48.03
C[C@@H](O)C(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042285	0	39	-1.0	-54.20	333.42	-1.64	-55.84
C=CC(=O)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005042286	0	36	-1.0	-49.14	315.54	0.28	-48.86
CCC(=O)NC(C)CCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005042287	0	40	-1.0	-48.65	337.15	0.98	-47.67
CC(=O)NC(C)CCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005042288	0	37	-1.0	-48.97	316.56	0.17	-48.80
CC(CCCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005042289	0	41	-1.0	-48.52	347.67	1.75	-46.77
COCC(=O)NC(C)CCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005042290	0	41	-1.0	-51.81	349.87	0.34	-51.47
CCCC(=O)NC(C)CCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005042291	0	43	-1.0	-48.45	358.65	1.74	-46.71
CC(C)C(=O)NC(C)CCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005042292	0	43	-1.0	-48.39	356.70	1.64	-46.75
CC(CCCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005042293	0	38	-1.0	-47.99	332.50	-3.69	-51.68
C=CCC(=O)NC(C)CCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005042294	0	41	-1.0	-48.88	350.06	1.52	-47.36
CC(CCCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005042295	0	38	-1.0	-53.37	327.62	-1.94	-55.31
CC(O)C(=O)NC(C)CCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005042296	0	41	-1.0	-49.46	347.95	-1.17	-50.63
CC(CCCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005042297	0	41	-1.0	-49.79	347.95	-1.16	-50.95
CC(CCCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005042298	0	41	-1.0	-49.43	347.95	-1.16	-50.59
CC=CC(=O)NC(C)CCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005042299	0	41	-1.0	-48.77	350.72	1.59	-47.18
COCC(=O)NCCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042300	0	41	-1.0	-55.83	349.87	0.35	-55.48
CCCC(=O)NCCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042301	0	43	-1.0	-52.26	358.65	1.75	-50.51
CC(C)C(=O)NCCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042302	0	43	-1.0	-52.11	356.70	1.66	-50.45
CCC(=O)NCCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042303	0	40	-1.0	-52.47	337.15	0.98	-51.49
CC(=O)NCCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042304	0	37	-1.0	-52.70	316.84	0.18	-52.52
CC(CCCCNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005042305	0	41	-1.0	-52.32	347.67	1.76	-50.56
CC(CCCCNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005042306	0	38	-1.0	-49.34	332.50	-3.68	-53.02
CC(CCCCNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005042307	0	38	-1.0	-57.50	327.62	-1.92	-59.42
CC(O)C(=O)NCCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042308	0	41	-1.0	-52.97	347.95	-1.15	-54.12
CC(=O)C(=O)NCCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042309	0	39	-1.0	-48.61	339.41	0.12	-48.49
CC=CC(=O)NCCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042310	0	41	-1.0	-52.55	350.72	1.59	-50.96
CC(CCCCNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005042311	0	41	-1.0	-57.16	348.29	-1.17	-58.33
C=CCC(=O)NCCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042312	0	41	-1.0	-52.48	350.06	1.53	-50.95
CC(CCCCNC(=O)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005042313	0	38	-1.0	-61.34	336.61	0.66	-60.68
CC(CCCCNC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005042314	0	41	-1.0	-53.00	347.95	-1.15	-54.15
C=CC(=O)NCCCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005042315	0	38	-1.0	-52.63	329.00	0.71	-51.92
CC(=O)N1CC2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005042316	0	39	-1.0	-49.49	311.67	1.99	-47.50
CC(=O)NCC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042317	0	39	-1.0	-58.84	309.67	1.88	-56.96
CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005042318	0	41	-1.0	-47.00	322.31	2.21	-44.79
CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005042319	0	38	-1.0	-47.43	302.00	1.44	-45.99
CC1CN(C(=O)CO)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005042320	0	39	-1.0	-51.60	312.78	-0.68	-52.28
CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005042321	0	41	-1.0	-50.35	319.15	1.91	-48.44
CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005042322	0	38	-1.0	-50.60	298.56	1.11	-49.49
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CO	REAL250005042323	0	39	-1.0	-55.06	309.62	-1.01	-56.07
C=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005042324	0	39	-1.0	-50.54	311.01	1.63	-48.91
CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042325	0	36	-1.0	-56.09	291.38	1.99	-54.10
CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042326	0	33	-1.0	-52.73	275.29	1.45	-51.28
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1	REAL250005042327	0	37	-1.0	-57.17	299.12	2.58	-54.59
COCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042328	0	37	-1.0	-59.13	304.88	1.34	-57.79
CCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042329	0	39	-1.0	-56.25	314.13	2.81	-53.44
CC(C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042330	0	39	-1.0	-54.82	312.36	2.48	-52.34
NC(=O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042331	0	34	-1.0	-50.59	284.89	-2.64	-53.23
C=CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042332	0	37	-1.0	-54.87	304.91	2.50	-52.37
O=C(CO)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042333	0	34	-1.0	-60.54	282.63	-0.94	-61.48
CC(O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042334	0	37	-1.0	-55.02	298.06	-0.42	-55.44
O=C(CCF)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042335	0	36	-1.0	-55.76	295.02	2.02	-53.74
C[C@@H](O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042336	0	37	-1.0	-61.51	297.80	-0.48	-61.99
C[C@H](O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042337	0	37	-1.0	-62.84	296.99	-0.57	-63.41
CC=CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005042338	0	37	-1.0	-56.28	304.19	2.53	-53.75
COCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042339	0	37	-1.0	-48.90	305.26	1.58	-47.32
CCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042340	0	39	-1.0	-48.34	313.50	2.73	-45.61
CC(C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042341	0	39	-1.0	-55.27	311.66	2.46	-52.81
CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042342	0	36	-1.0	-46.47	292.54	2.17	-44.30
CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042343	0	33	-1.0	-49.23	269.13	1.08	-48.15
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC3)C[C@H]21	REAL250005042344	0	37	-1.0	-48.78	302.48	2.71	-46.07
NC(=O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042345	0	34	-1.0	-51.69	284.58	-2.71	-54.40
O=C(CO)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042346	0	34	-1.0	-52.88	281.81	-0.92	-53.80
CC(O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042347	0	37	-1.0	-51.36	299.26	-0.37	-51.73
CC(=O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042348	0	35	-1.0	-50.06	291.99	1.10	-48.96
CC=CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042349	0	37	-1.0	-49.16	304.73	2.53	-46.63
C[C@H](O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042350	0	37	-1.0	-58.06	298.64	-0.35	-58.41
C=CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042351	0	37	-1.0	-48.48	305.09	2.52	-45.96
N#CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042352	0	34	-1.0	-54.22	290.80	1.65	-52.57
O=C(CCF)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042353	0	36	-1.0	-48.03	298.59	2.12	-45.91
C[C@@H](O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042354	0	37	-1.0	-50.27	297.81	-0.40	-50.67
C=CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005042355	0	34	-1.0	-49.14	283.00	1.65	-47.49
CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042356	0	33	-1.0	-49.27	283.66	-3.47	-52.74
COCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042357	0	37	-1.0	-48.49	317.24	-4.37	-52.86
CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042358	0	30	-1.0	-52.44	264.26	-4.33	-56.77
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC1	REAL250005042359	0	34	-1.0	-48.64	294.09	-2.68	-51.32
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC1	REAL250005042360	0	37	-1.0	-51.76	311.25	-2.23	-53.99
O=C(CC1CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042361	0	37	-1.0	-52.35	315.34	-1.93	-54.28
COCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042362	0	34	-1.0	-55.32	297.13	-4.12	-59.44
CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042363	0	36	-1.0	-51.82	305.93	-2.70	-54.52
CC(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042364	0	39	-1.0	-48.37	321.78	-2.10	-50.47
CC1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042365	0	37	-1.0	-51.19	310.91	-1.99	-53.18
CCOCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042366	0	37	-1.0	-52.05	318.16	-3.14	-55.19
CC(C)=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042367	0	37	-1.0	-48.32	313.13	-2.17	-50.49
CCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042368	0	39	-1.0	-48.86	326.56	-1.91	-50.77
CC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042369	0	36	-1.0	-51.45	303.96	-2.81	-54.26
CCC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042370	0	39	-1.0	-51.67	322.07	-2.16	-53.83
COC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042371	0	37	-1.0	-51.61	316.08	-3.41	-55.02
C=CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042372	0	37	-1.0	-48.55	317.86	-2.11	-50.66
CC=C(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042373	0	37	-1.0	-51.99	312.73	-2.18	-54.17
CC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL250005042374	0	37	-1.0	-51.27	312.66	-2.10	-53.37
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042375	0	37	-1.0	-51.75	316.50	-2.06	-53.81
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042376	0	37	-1.0	-51.74	316.45	-2.06	-53.80
NC(=O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042377	0	31	-1.0	-47.11	278.97	-8.13	-55.24
CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042378	0	39	-1.0	-51.31	322.99	-2.25	-53.56
C=CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042379	0	34	-1.0	-49.26	296.53	-2.92	-52.18
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042380	0	39	0.0	-72.11	319.14	-2.74	-74.85
CN(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042380	1	38	-1.0	-49.33	317.07	-5.11	-54.44
C=CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042381	0	35	-1.0	-49.47	305.01	-4.88	-54.35
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1COC1	REAL250005042382	0	35	-1.0	-52.40	301.76	-4.96	-57.36
CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042383	0	37	-1.0	-51.88	316.16	-3.41	-55.29
CCC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042384	0	37	-1.0	-48.61	318.23	-2.09	-50.70
O=C(CO)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042386	0	31	-1.0	-53.97	274.12	-6.39	-60.36
CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042387	0	34	-1.0	-52.66	295.35	-5.64	-58.30
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC1F	REAL250005042388	0	34	-1.0	-53.28	298.84	-2.58	-55.86
O=C(CCF)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042389	0	33	-1.0	-48.06	290.14	-3.30	-51.36
O=C(C=CCF)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042390	0	34	-1.0	-50.68	303.33	-2.73	-53.41
C#CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042391	0	35	-1.0	-51.88	311.69	-2.19	-54.07
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCO1	REAL250005042392	0	35	-1.0	-56.54	303.31	-3.94	-60.48
CC(C)(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042393	0	37	-1.0	-56.54	314.01	-4.94	-61.48
CC1=CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042394	0	35	-1.0	-49.32	309.26	-2.00	-51.32
C[C@@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042395	0	34	-1.0	-52.78	295.34	-5.64	-58.42
O=C(C=CCO)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042396	0	35	-1.0	-55.49	309.15	-6.24	-61.73
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CCC1	REAL250005042397	0	35	-1.0	-49.29	304.05	-2.18	-51.47
CON=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042398	0	34	-1.0	-54.48	306.86	-4.88	-59.36
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1(F)CC1	REAL250005042399	0	34	-1.0	-46.55	300.20	-2.64	-49.19
CC=C(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042400	0	34	-1.0	-46.27	302.20	-2.79	-49.06
CC(CO)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042401	0	37	-1.0	-51.10	314.67	-6.10	-57.20
C[C@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042402	0	34	-1.0	-52.67	295.34	-5.64	-58.31
C=C1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042403	0	35	-1.0	-48.87	307.73	-2.13	-51.00
C=C(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042404	0	37	-1.0	-51.99	319.07	-2.30	-54.29
CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042405	0	34	-1.0	-48.83	297.13	-2.85	-51.68
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042406	0	37	-1.0	-51.75	316.50	-2.06	-53.81
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1(O)CC1	REAL250005042407	0	35	-1.0	-50.85	303.24	-5.78	-56.63
O=C(CC1CC1)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042408	0	37	-1.0	-53.01	317.44	-1.78	-54.79
COCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042409	0	34	-1.0	-56.77	300.19	-3.94	-60.71
CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042410	0	36	-1.0	-52.61	308.05	-2.57	-55.18
CC(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042411	0	39	-1.0	-52.43	324.85	-1.98	-54.41
CC1CC1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042412	0	37	-1.0	-53.20	318.70	-1.93	-55.13
CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042413	0	37	-1.0	-56.28	321.20	-2.97	-59.25
CC(C)=CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042414	0	37	-1.0	-52.50	316.19	-2.06	-54.56
CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042415	0	39	-1.0	-52.82	329.55	-1.79	-54.61
CC(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042416	0	36	-1.0	-52.79	305.38	-2.87	-55.66
CCC(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042417	0	39	-1.0	-53.31	325.16	-2.20	-55.51
COC(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042418	0	37	-1.0	-56.68	315.48	-3.43	-60.11
C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042419	0	37	-1.0	-52.41	320.86	-2.01	-54.42
CC(C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042420	0	34	-1.0	-60.45	306.34	-3.19	-63.64
CC=C(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042421	0	37	-1.0	-51.97	320.04	-2.21	-54.18
CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042422	0	33	-1.0	-53.52	287.47	-3.33	-56.85
COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042423	0	37	-1.0	-52.33	321.14	-4.26	-56.59
CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042424	0	30	-1.0	-53.24	264.61	-4.19	-57.43
O=C(N[C@@H]1CN(C(=O)C2CC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL250005042425	0	34	-1.0	-52.44	296.97	-2.57	-55.01
O=C(N[C@@H]1CN(C(=O)C2CCC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL250005042426	0	37	-1.0	-53.20	313.95	-2.06	-55.26
NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042427	0	31	-1.0	-48.69	279.69	-8.06	-56.75
CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042428	0	39	-1.0	-45.71	315.48	-2.66	-48.37
CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005042429	0	37	-1.0	-52.30	315.27	-2.27	-54.57
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042430	0	37	-1.0	-53.08	318.67	-1.91	-54.99
C[C@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042431	0	37	-1.0	-53.10	318.61	-1.92	-55.02
O=C(CO)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042432	0	31	-1.0	-58.18	277.09	-6.21	-64.39
O=C(N[C@@H]1CN(C(=O)C2CCO2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL250005042433	0	35	-1.0	-57.17	302.48	-3.86	-61.03
O=C(N[C@@H]1CN(C(=O)C2COC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL250005042434	0	35	-1.0	-53.56	304.71	-4.84	-58.40
O=C(C=CCO)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042435	0	35	-1.0	-56.63	311.32	-6.15	-62.78
CCC=CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042436	0	37	-1.0	-53.21	321.38	-2.01	-55.22
C#CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042437	0	35	-1.0	-52.23	313.83	-2.06	-54.29
C=CC(O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042438	0	35	-1.0	-53.65	306.31	-5.12	-58.77
CC(O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042439	0	34	-1.0	-58.28	293.82	-5.67	-63.95
CC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042440	0	32	-1.0	-48.45	287.17	-4.25	-52.70
O=C(N[C@@H]1CN(C(=O)C2(F)CC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL250005042441	0	34	-1.0	-48.64	300.10	-2.63	-51.27
CC=C(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042442	0	34	-1.0	-49.32	302.78	-2.83	-52.15
CC(CO)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042443	0	37	-1.0	-52.42	317.74	-6.11	-58.53
O=C(N[C@@H]1CN(C(=O)C2(O)CC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL250005042444	0	35	-1.0	-49.53	306.46	-5.87	-55.40
O=C(N[C@@H]1CN(C(=O)C2=CCC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL250005042445	0	35	-1.0	-53.46	302.44	-2.23	-55.69
CC=CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042446	0	34	-1.0	-53.44	300.30	-2.76	-56.20
O=C(C=CCF)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042447	0	34	-1.0	-55.12	306.41	-2.67	-57.79
C[C@H](O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042449	0	34	-1.0	-53.18	293.48	-5.64	-58.82
CON=CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042450	0	34	-1.0	-53.99	308.13	-4.82	-58.81
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042451	0	37	-1.0	-53.08	318.67	-1.91	-54.99
CC(C)(O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042452	0	37	-1.0	-51.07	312.09	-5.81	-56.88
C=C(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042453	0	37	-1.0	-52.69	321.14	-2.13	-54.82
C=CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042454	0	34	-1.0	-53.10	299.53	-2.79	-55.89
C[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042455	0	39	0.0	-77.34	322.21	-2.64	-79.98
CN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042455	1	38	-1.0	-53.25	320.12	-5.03	-58.28
N#CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042456	0	31	-1.0	-62.45	286.09	-3.64	-66.09
O=C(N[C@@H]1CN(C(=O)C2CC2F)C[C@H]1O)C1=CC(=O)[N-]O1	REAL250005042457	0	34	-1.0	-58.11	302.02	-2.50	-60.61
O=C(CCF)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042458	0	33	-1.0	-51.30	293.14	-3.20	-54.50
CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042459	0	37	-1.0	-56.16	315.12	-3.43	-59.59
C[C@@H](O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042460	0	34	-1.0	-53.18	293.54	-5.62	-58.80
C=C1CC1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042461	0	35	-1.0	-53.09	311.08	-2.02	-55.11
CC1=CC1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042462	0	35	-1.0	-53.53	312.23	-1.89	-55.42
C=CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042463	0	31	-1.0	-53.50	278.50	-3.67	-57.17
CCC(=O)N1CCCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042464	0	39	-1.0	-49.65	319.51	0.66	-48.99
CC(=O)N1CCCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042465	0	36	-1.0	-47.89	298.21	-0.15	-48.04
O=C(CO)N1CCCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042466	0	37	-1.0	-54.52	309.98	-2.24	-56.76
CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005042467	0	39	-1.0	-49.02	315.79	0.58	-48.44
CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005042468	0	36	-1.0	-49.31	295.48	-0.23	-49.54
O=C(CO)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005042469	0	37	-1.0	-53.46	306.26	-2.34	-55.80
C=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005042470	0	37	-1.0	-49.26	306.64	0.17	-49.09
CCC(=O)NC1CC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005042471	0	39	-1.0	-46.26	323.24	1.15	-45.11
CC(=O)NC1CC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005042472	0	36	-1.0	-46.58	302.65	0.34	-46.24
O=C(CO)NC1CC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005042473	0	37	-1.0	-50.67	313.71	-1.78	-52.45
CCC(=O)NC1CC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005042474	0	39	-1.0	-46.26	323.24	1.15	-45.11
CC(=O)NC1CC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005042475	0	36	-1.0	-46.58	302.65	0.34	-46.24
O=C(CO)NC1CC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005042476	0	37	-1.0	-50.67	313.71	-1.78	-52.45
C=CC(=O)NC1CC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005042477	0	37	-1.0	-47.51	312.93	0.78	-46.73
CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005042478	0	39	-1.0	-49.18	313.03	2.24	-46.94
CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005042479	0	36	-1.0	-49.38	291.15	1.37	-48.01
O=C(CO)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005042480	0	37	-1.0	-54.14	303.49	-0.67	-54.81
CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042481	0	39	-1.0	-51.62	307.17	1.88	-49.74
CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042482	0	36	-1.0	-51.91	286.86	1.07	-50.84
O=C(CO)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042483	0	37	-1.0	-47.37	300.03	-0.87	-48.24
C=CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005042484	0	37	-1.0	-44.91	301.41	1.78	-43.13
CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042485	0	35	-1.0	-52.72	292.95	0.47	-52.25
COCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042486	0	39	-1.0	-49.86	327.63	-0.41	-50.27
CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042487	0	32	-1.0	-52.74	272.36	-0.33	-53.07
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC1	REAL250005042488	0	36	-1.0	-50.84	304.50	1.27	-49.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC1	REAL250005042489	0	39	-1.0	-52.67	319.75	1.75	-50.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1CC1	REAL250005042490	0	39	-1.0	-53.66	324.05	2.00	-51.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)F	REAL250005042491	0	38	-1.0	-50.99	319.87	1.13	-49.86
COCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042492	0	36	-1.0	-53.48	306.59	-0.13	-53.61
CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042493	0	38	-1.0	-53.12	314.64	1.24	-51.88
CC(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042494	0	41	-1.0	-52.54	331.25	1.83	-50.71
CC1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042495	0	39	-1.0	-52.27	319.49	1.97	-50.30
CCOCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042496	0	39	-1.0	-54.17	328.55	0.82	-53.35
CC(C)=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042497	0	39	-1.0	-49.38	323.41	1.81	-47.57
CSCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042498	0	36	-1.0	-52.72	316.93	0.94	-51.78
CCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042499	0	41	-1.0	-53.27	336.11	2.02	-51.25
CC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042500	0	38	-1.0	-52.49	312.60	1.15	-51.34
CCC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042501	0	41	-1.0	-52.92	330.81	1.78	-51.14
COC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042502	0	39	-1.0	-55.81	325.49	0.54	-55.27
C=CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042503	0	39	-1.0	-52.48	327.34	1.81	-50.67
CC=C(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042504	0	39	-1.0	-53.33	321.53	1.77	-51.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(C)CC1	REAL250005042505	0	39	-1.0	-47.82	321.37	1.88	-45.94
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042506	0	39	-1.0	-52.51	324.93	1.93	-50.58
CCC(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042507	0	38	-1.0	-52.13	321.72	1.33	-50.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCCF	REAL250005042508	0	38	-1.0	-53.23	322.05	1.41	-51.82
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042509	0	39	-1.0	-50.63	325.88	1.93	-48.70
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(N)=O	REAL250005042510	0	33	-1.0	-49.03	288.45	-4.19	-53.22
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)C	REAL250005042511	0	41	-1.0	-50.35	332.44	1.75	-48.60
C=CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042512	0	36	-1.0	-50.25	306.84	1.06	-49.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+](C)C	REAL250005042513	0	41	0.0	-71.80	328.61	1.20	-70.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN(C)C	REAL250005042513	1	40	-1.0	-51.20	327.45	-1.15	-52.35
C=CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042514	0	37	-1.0	-51.72	315.33	-0.91	-52.63
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1COC1	REAL250005042515	0	37	-1.0	-55.19	310.23	-1.02	-56.21
CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042516	0	39	-1.0	-53.64	326.49	0.56	-53.08
CCC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042517	0	39	-1.0	-50.23	328.62	1.90	-48.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN=[N+]=[N-]	REAL250005042518	0	34	-1.0	-53.11	303.07	-3.53	-56.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CO	REAL250005042519	0	33	-1.0	-55.07	284.42	-2.40	-57.47
CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042520	0	36	-1.0	-57.42	304.12	-1.68	-59.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC1F	REAL250005042521	0	36	-1.0	-49.26	311.35	1.37	-47.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCF	REAL250005042522	0	35	-1.0	-49.34	300.54	0.65	-48.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=CCF	REAL250005042523	0	36	-1.0	-54.94	312.88	1.17	-53.77
C#CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042524	0	37	-1.0	-52.66	320.33	1.75	-50.91
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCO1	REAL250005042525	0	37	-1.0	-58.13	312.00	0.00	-58.13
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)O	REAL250005042526	0	39	-1.0	-48.29	324.46	-2.08	-50.37
CC1=CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042527	0	37	-1.0	-52.54	318.46	1.96	-50.58
C[C@@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042528	0	36	-1.0	-58.05	304.27	-1.69	-59.74
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=CCO	REAL250005042529	0	37	-1.0	-56.61	317.80	-2.30	-58.91
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CCC1	REAL250005042530	0	37	-1.0	-50.79	314.41	1.79	-49.00
CON=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042531	0	36	-1.0	-55.88	315.68	-0.95	-56.83
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(F)CC1	REAL250005042532	0	36	-1.0	-46.77	310.66	1.33	-45.44
CC=C(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042533	0	36	-1.0	-49.05	311.77	1.15	-47.90
CC(CO)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042534	0	39	-1.0	-52.36	323.27	-2.15	-54.51
C[C@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042535	0	36	-1.0	-53.25	303.93	-1.67	-54.92
C=C1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042536	0	37	-1.0	-52.24	317.11	1.83	-50.41
CC(CF)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042537	0	38	-1.0	-51.39	318.48	1.26	-50.13
C=C(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042538	0	39	-1.0	-52.65	327.21	1.67	-50.98
CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042539	0	36	-1.0	-53.08	306.80	1.07	-52.01
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042540	0	39	-1.0	-52.51	324.93	1.93	-50.58
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(O)CC1	REAL250005042541	0	37	-1.0	-48.97	312.77	-1.80	-50.77
C[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042542	0	39	-1.0	-44.37	326.88	2.15	-42.22
C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042543	0	38	-1.0	-44.94	315.87	0.98	-43.96
COCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042544	0	36	-1.0	-46.55	309.70	0.07	-46.48
CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042545	0	38	-1.0	-43.85	318.37	1.43	-42.42
CC(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042546	0	41	-1.0	-43.45	335.09	2.04	-41.41
CC1CC1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042547	0	39	-1.0	-44.40	327.83	2.02	-42.38
CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042548	0	39	-1.0	-46.94	330.53	0.97	-45.97
CC(C)=CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042549	0	39	-1.0	-44.43	324.56	1.86	-42.57
CSCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042550	0	36	-1.0	-45.57	320.04	1.12	-44.45
CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042551	0	41	-1.0	-43.79	339.88	2.21	-41.58
CC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042552	0	38	-1.0	-44.19	316.23	1.13	-43.06
CCC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042553	0	41	-1.0	-43.92	329.39	1.59	-42.33
COC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042554	0	39	-1.0	-46.72	324.90	0.48	-46.24
C=CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042555	0	39	-1.0	-43.84	331.15	2.01	-41.83
CC(C#N)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042556	0	36	-1.0	-48.95	310.52	0.57	-48.38
CC=C(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042557	0	39	-1.0	-50.98	329.55	1.78	-49.20
CCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042558	0	35	-1.0	-44.02	296.88	0.67	-43.35
COCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042559	0	39	-1.0	-44.44	330.51	-0.24	-44.68
CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042560	0	32	-1.0	-44.43	274.91	-0.23	-44.66
C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042561	0	36	-1.0	-44.61	305.48	1.34	-43.27
C[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042562	0	39	-1.0	-43.77	323.50	1.95	-41.82
C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042563	0	33	-1.0	-47.04	289.19	-4.07	-51.11
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042564	0	41	-1.0	-50.85	324.96	1.29	-49.56
C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042565	0	39	-1.0	-44.54	326.09	1.73	-42.81
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042566	0	39	-1.0	-44.44	326.96	2.01	-42.43
CCC(F)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042567	0	38	-1.0	-44.49	323.14	1.39	-43.10
C[C@@H]1CN(C(=O)CCCF)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042568	0	38	-1.0	-45.86	324.13	1.50	-44.36
C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042569	0	39	-1.0	-44.37	327.93	2.01	-42.36
C[C@@H]1CN(C(=O)CO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042570	0	33	-1.0	-48.18	287.32	-2.22	-50.40
C[C@@H]1CN(C(=O)C2CCO2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042571	0	37	-1.0	-47.86	313.63	0.19	-47.67
C[C@@H]1CN(C(=O)C2COC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042572	0	37	-1.0	-44.49	314.11	-0.86	-45.35
C[C@@H]1CN(C(=O)C=CCO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042573	0	37	-1.0	-46.88	320.82	-2.14	-49.02
CCC=CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042574	0	39	-1.0	-44.27	330.80	1.98	-42.29
C#CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042575	0	37	-1.0	-44.40	324.16	1.94	-42.46
C=CC(O)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042576	0	37	-1.0	-44.23	315.64	-1.13	-45.36
CC(O)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042577	0	36	-1.0	-48.01	301.88	-1.79	-49.80
CC(=O)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042578	0	34	-1.0	-45.53	296.65	-0.26	-45.79
C[C@@H]1CN(C(=O)C2(F)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042579	0	36	-1.0	-44.63	310.42	1.33	-43.30
CC=C(F)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042580	0	36	-1.0	-44.40	312.17	1.17	-43.23
CC(CO)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042581	0	39	-1.0	-49.49	325.72	-2.21	-51.70
C[C@@H]1CN(C(=O)C2(O)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042582	0	37	-1.0	-44.74	318.37	-2.02	-46.76
C[C@@H]1CN(C(=O)C2=CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042583	0	37	-1.0	-45.49	312.56	1.65	-43.84
CC(CF)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042584	0	38	-1.0	-43.74	317.10	1.07	-42.67
CC=CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042585	0	36	-1.0	-44.96	308.65	1.16	-43.80
C[C@@H]1CN(C(=O)C=CCF)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042586	0	36	-1.0	-45.47	315.90	1.33	-44.14
C[C@H](O)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042588	0	36	-1.0	-47.52	303.10	-1.70	-49.22
CON=CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042589	0	36	-1.0	-47.04	317.55	-0.88	-47.92
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042590	0	39	-1.0	-44.44	326.96	2.01	-42.43
C[C@@H]1CN(C(=O)C(C)(C)O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042591	0	39	-1.0	-44.80	321.66	-1.92	-46.72
C=C(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042592	0	39	-1.0	-44.34	330.57	1.78	-42.56
C=CCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042593	0	36	-1.0	-44.47	308.93	1.15	-43.32
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042594	0	41	0.0	-62.88	332.45	1.38	-61.50
C[C@@H]1CN(C(=O)CN(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042594	1	40	-1.0	-44.42	330.36	-1.01	-45.43
C[C@@H]1CN(C(=O)CC#N)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042595	0	33	-1.0	-50.50	296.31	0.35	-50.15
C[C@@H]1CN(C(=O)C2CC2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042596	0	36	-1.0	-47.12	311.78	1.40	-45.72
C[C@@H]1CN(C(=O)CCF)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042597	0	35	-1.0	-43.77	303.43	0.83	-42.94
CO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042598	0	39	-1.0	-46.28	324.69	0.54	-45.74
C[C@@H](O)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042599	0	36	-1.0	-51.23	302.47	-1.73	-52.96
C=C1CC1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042600	0	37	-1.0	-45.03	320.03	1.93	-43.10
CC1=CC1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042601	0	37	-1.0	-45.50	321.77	2.11	-43.39
C=CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042602	0	33	-1.0	-44.71	287.99	0.34	-44.37
CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL250005042603	0	36	-1.0	-51.35	306.58	-1.13	-52.48
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(C)=O	REAL250005042604	0	33	-1.0	-48.56	285.28	-1.89	-50.45
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC1	REAL250005042605	0	37	-1.0	-48.06	316.12	-0.33	-48.39
COCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL250005042606	0	37	-1.0	-51.45	318.35	-1.73	-53.18
CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL250005042607	0	39	-1.0	-51.38	327.95	-0.35	-51.73
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)C	REAL250005042608	0	39	-1.0	-47.71	325.16	-0.43	-48.14
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(N)=O	REAL250005042609	0	34	-1.0	-46.13	300.89	-5.75	-51.88
C=CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL250005042610	0	37	-1.0	-48.48	318.45	-0.55	-49.03
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CO	REAL250005042611	0	34	-1.0	-52.95	296.16	-4.03	-56.98
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)O	REAL250005042612	0	37	-1.0	-48.96	316.39	-3.22	-52.18
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@@H](C)O	REAL250005042613	0	37	-1.0	-48.95	316.39	-3.22	-52.17
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@H](C)O	REAL250005042614	0	37	-1.0	-48.65	316.35	-3.23	-51.88
CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL250005042615	0	37	-1.0	-51.21	320.09	-0.51	-51.72
COCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H](OC)C1	REAL250005042616	0	37	-1.0	-54.31	322.14	-1.56	-55.87
CCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H](OC)C1	REAL250005042617	0	39	-1.0	-51.04	330.92	-0.19	-51.23
CO[C@@H]1CN(C(=O)C(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042618	0	39	-1.0	-50.98	328.58	-0.43	-51.41
CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H](OC)C1	REAL250005042619	0	36	-1.0	-50.56	308.49	-0.97	-51.53
CO[C@@H]1CN(C(C)=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042620	0	33	-1.0	-51.27	287.66	-1.80	-53.07
CO[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042621	0	37	-1.0	-50.23	319.01	-0.21	-50.44
CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042622	0	34	-1.0	-47.08	301.62	-5.66	-52.74
CO[C@@H]1CN(C(=O)CO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042623	0	34	-1.0	-55.40	298.96	-3.84	-59.24
CO[C@@H]1CN(C(=O)C(C)O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042624	0	37	-1.0	-51.42	315.11	-3.28	-54.70
CO[C@@H]1CN(C(=O)C(C)=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042625	0	35	-1.0	-46.85	308.03	-1.87	-48.72
CC=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H](OC)C1	REAL250005042626	0	37	-1.0	-50.42	321.17	-0.40	-50.82
CO[C@@H]1CN(C(=O)[C@H](C)O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042627	0	37	-1.0	-55.10	315.97	-3.29	-58.39
C=CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H](OC)C1	REAL250005042628	0	37	-1.0	-51.10	322.33	-0.41	-51.51
CO[C@@H]1CN(C(=O)CC#N)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042629	0	34	-1.0	-59.45	307.95	-1.27	-60.72
CO[C@@H]1CN(C(=O)[C@@H](C)O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042630	0	37	-1.0	-54.55	315.90	-3.31	-57.86
C=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H](OC)C1	REAL250005042631	0	34	-1.0	-51.18	300.43	-1.26	-52.44
CCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042632	0	35	-1.0	-44.02	296.88	0.67	-43.35
COCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042633	0	39	-1.0	-44.44	330.51	-0.24	-44.68
CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042634	0	32	-1.0	-44.43	274.91	-0.23	-44.66
C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042635	0	36	-1.0	-44.61	305.48	1.34	-43.27
C[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042636	0	39	-1.0	-43.77	323.50	1.95	-41.82
C[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042637	0	39	-1.0	-44.37	326.88	2.15	-42.22
C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042638	0	38	-1.0	-44.94	315.87	0.98	-43.96
COCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042639	0	36	-1.0	-46.55	309.70	0.07	-46.48
CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042640	0	38	-1.0	-43.85	318.37	1.43	-42.42
CC(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042641	0	41	-1.0	-43.45	335.09	2.04	-41.41
CC1CC1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042642	0	39	-1.0	-44.40	327.83	2.02	-42.38
CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042643	0	39	-1.0	-46.94	330.53	0.97	-45.97
CC(C)=CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042644	0	39	-1.0	-44.43	324.56	1.86	-42.57
CSCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042645	0	36	-1.0	-45.57	320.04	1.12	-44.45
CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042646	0	41	-1.0	-43.79	339.88	2.21	-41.58
CC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042647	0	38	-1.0	-44.19	316.23	1.13	-43.06
CCC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042648	0	41	-1.0	-43.92	329.39	1.59	-42.33
COC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042649	0	39	-1.0	-46.72	324.90	0.48	-46.24
C=CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042650	0	39	-1.0	-43.84	331.15	2.01	-41.83
CC=C(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042651	0	39	-1.0	-50.98	329.55	1.78	-49.20
C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042652	0	39	-1.0	-44.54	326.09	1.73	-42.81
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042653	0	39	-1.0	-44.44	326.96	2.01	-42.43
CCC(F)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042654	0	38	-1.0	-44.49	323.14	1.39	-43.10
C[C@@H]1CN(C(=O)CCCF)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042655	0	38	-1.0	-45.86	324.13	1.50	-44.36
C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042656	0	39	-1.0	-44.37	327.93	2.01	-42.36
C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042657	0	33	-1.0	-47.04	289.19	-4.07	-51.11
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042658	0	41	-1.0	-50.85	324.96	1.29	-49.56
C=CCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042659	0	36	-1.0	-44.47	308.93	1.15	-43.32
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042660	0	41	0.0	-62.88	332.45	1.38	-61.50
C[C@@H]1CN(C(=O)CN(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042660	1	40	-1.0	-44.42	330.36	-1.01	-45.43
C=CC(O)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042661	0	37	-1.0	-44.23	315.64	-1.13	-45.36
C[C@@H]1CN(C(=O)C2COC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042662	0	37	-1.0	-44.49	314.11	-0.86	-45.35
CO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042663	0	39	-1.0	-46.28	324.69	0.54	-45.74
CCC=CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042664	0	39	-1.0	-44.27	330.80	1.98	-42.29
C[C@@H]1CN(C(=O)CO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042666	0	33	-1.0	-48.18	287.32	-2.22	-50.40
CC(O)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042667	0	36	-1.0	-48.01	301.88	-1.79	-49.80
C[C@@H]1CN(C(=O)C2CC2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042668	0	36	-1.0	-47.12	311.78	1.40	-45.72
C[C@@H]1CN(C(=O)CCF)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042669	0	35	-1.0	-43.77	303.43	0.83	-42.94
C[C@@H]1CN(C(=O)C=CCF)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042670	0	36	-1.0	-45.47	315.90	1.33	-44.14
C#CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042671	0	37	-1.0	-44.40	324.16	1.94	-42.46
C[C@@H]1CN(C(=O)C2CCO2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042672	0	37	-1.0	-47.86	313.63	0.19	-47.67
C[C@@H]1CN(C(=O)C(C)(C)O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042673	0	39	-1.0	-44.80	321.66	-1.92	-46.72
CC1=CC1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042674	0	37	-1.0	-45.50	321.77	2.11	-43.39
C[C@@H](O)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042675	0	36	-1.0	-51.23	302.47	-1.73	-52.96
C[C@@H]1CN(C(=O)C=CCO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042676	0	37	-1.0	-46.88	320.82	-2.14	-49.02
C[C@@H]1CN(C(=O)C2=CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042677	0	37	-1.0	-45.49	312.56	1.65	-43.84
CON=CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042678	0	36	-1.0	-47.04	317.55	-0.88	-47.92
C[C@@H]1CN(C(=O)C2(F)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042679	0	36	-1.0	-44.63	310.42	1.33	-43.30
CC=C(F)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042680	0	36	-1.0	-44.40	312.17	1.17	-43.23
CC(CO)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042681	0	39	-1.0	-49.49	325.72	-2.21	-51.70
C[C@H](O)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042682	0	36	-1.0	-47.52	303.10	-1.70	-49.22
C=C1CC1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042683	0	37	-1.0	-45.03	320.03	1.93	-43.10
CC(CF)C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042684	0	38	-1.0	-43.74	317.10	1.07	-42.67
C=C(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042685	0	39	-1.0	-44.34	330.57	1.78	-42.56
CC=CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042686	0	36	-1.0	-44.96	308.65	1.16	-43.80
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042687	0	39	-1.0	-44.44	326.96	2.01	-42.43
C[C@@H]1CN(C(=O)C2(O)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042688	0	37	-1.0	-44.74	318.37	-2.02	-46.76
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1CC1	REAL250005042689	0	39	-1.0	-53.66	324.05	2.00	-51.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)F	REAL250005042690	0	38	-1.0	-50.99	319.87	1.13	-49.86
COCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042691	0	36	-1.0	-53.48	306.59	-0.13	-53.61
CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042692	0	38	-1.0	-53.12	314.64	1.24	-51.88
CC(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042693	0	41	-1.0	-52.54	331.25	1.83	-50.71
CC1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042694	0	39	-1.0	-52.27	319.49	1.97	-50.30
CCOCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042695	0	39	-1.0	-54.17	328.55	0.82	-53.35
CC(C)=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042696	0	39	-1.0	-49.38	323.41	1.81	-47.57
CSCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042697	0	36	-1.0	-52.72	316.93	0.94	-51.78
CCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042698	0	41	-1.0	-53.27	336.11	2.02	-51.25
CC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042699	0	38	-1.0	-52.49	312.60	1.15	-51.34
CCC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042700	0	41	-1.0	-52.92	330.81	1.78	-51.14
COC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042701	0	39	-1.0	-55.81	325.49	0.54	-55.27
C=CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042702	0	39	-1.0	-52.48	327.34	1.81	-50.67
CC(C#N)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042703	0	36	-1.0	-60.83	311.96	0.76	-60.07
CC=C(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042704	0	39	-1.0	-53.33	321.53	1.77	-51.56
CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042705	0	35	-1.0	-52.72	292.95	0.47	-52.25
COCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042706	0	39	-1.0	-49.86	327.63	-0.41	-50.27
CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042707	0	32	-1.0	-52.74	272.36	-0.33	-53.07
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC1	REAL250005042708	0	36	-1.0	-50.84	304.50	1.27	-49.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC1	REAL250005042709	0	39	-1.0	-52.67	319.75	1.75	-50.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(N)=O	REAL250005042710	0	33	-1.0	-49.03	288.45	-4.19	-53.22
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)C	REAL250005042711	0	41	-1.0	-50.35	332.44	1.75	-48.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(C)CC1	REAL250005042712	0	39	-1.0	-47.82	321.37	1.88	-45.94
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042713	0	39	-1.0	-52.51	324.93	1.93	-50.58
CCC(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042714	0	38	-1.0	-52.13	321.72	1.33	-50.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCCF	REAL250005042715	0	38	-1.0	-53.23	322.05	1.41	-51.82
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042716	0	39	-1.0	-50.63	325.88	1.93	-48.70
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CO	REAL250005042717	0	33	-1.0	-55.07	284.42	-2.40	-57.47
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCO1	REAL250005042718	0	37	-1.0	-58.13	312.00	0.00	-58.13
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1COC1	REAL250005042719	0	37	-1.0	-55.19	310.23	-1.02	-56.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=CCO	REAL250005042720	0	37	-1.0	-56.61	317.80	-2.30	-58.91
CCC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042721	0	39	-1.0	-50.23	328.62	1.90	-48.33
C#CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042722	0	37	-1.0	-52.66	320.33	1.75	-50.91
C=CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042723	0	37	-1.0	-51.72	315.33	-0.91	-52.63
CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042724	0	36	-1.0	-57.42	304.12	-1.68	-59.10
CC(=O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042725	0	34	-1.0	-47.23	296.73	-0.33	-47.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(F)CC1	REAL250005042726	0	36	-1.0	-46.77	310.66	1.33	-45.44
CC=C(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042727	0	36	-1.0	-49.05	311.77	1.15	-47.90
CC(CO)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042728	0	39	-1.0	-52.36	323.27	-2.15	-54.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(O)CC1	REAL250005042729	0	37	-1.0	-48.97	312.77	-1.80	-50.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CCC1	REAL250005042730	0	37	-1.0	-50.79	314.41	1.79	-49.00
CC(CF)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042731	0	38	-1.0	-51.39	318.48	1.26	-50.13
CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042732	0	36	-1.0	-53.08	306.80	1.07	-52.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=CCF	REAL250005042733	0	36	-1.0	-54.94	312.88	1.17	-53.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN=[N+]=[N-]	REAL250005042734	0	34	-1.0	-53.11	303.07	-3.53	-56.64
C[C@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042735	0	36	-1.0	-53.25	303.93	-1.67	-54.92
CON=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042736	0	36	-1.0	-55.88	315.68	-0.95	-56.83
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042737	0	39	-1.0	-52.51	324.93	1.93	-50.58
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)O	REAL250005042738	0	39	-1.0	-48.29	324.46	-2.08	-50.37
C=C(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042739	0	39	-1.0	-52.65	327.21	1.67	-50.98
C=CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042740	0	36	-1.0	-50.25	306.84	1.06	-49.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+](C)C	REAL250005042741	0	41	0.0	-71.80	328.61	1.20	-70.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN(C)C	REAL250005042741	1	40	-1.0	-51.20	327.45	-1.15	-52.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC#N	REAL250005042742	0	33	-1.0	-59.39	293.42	0.20	-59.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC1F	REAL250005042743	0	36	-1.0	-49.26	311.35	1.37	-47.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCF	REAL250005042744	0	35	-1.0	-49.34	300.54	0.65	-48.69
CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042745	0	39	-1.0	-53.64	326.49	0.56	-53.08
C[C@@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042746	0	36	-1.0	-58.05	304.27	-1.69	-59.74
C=C1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042747	0	37	-1.0	-52.24	317.11	1.83	-50.41
CC1=CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042748	0	37	-1.0	-52.54	318.46	1.96	-50.58
C=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005042749	0	33	-1.0	-52.65	284.83	0.21	-52.44
CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042750	0	33	-1.0	-49.62	282.63	-3.21	-52.83
COCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042751	0	37	-1.0	-47.58	317.22	-4.12	-51.70
CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042752	0	30	-1.0	-49.09	261.55	-4.00	-53.09
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O)C1CC1	REAL250005042753	0	34	-1.0	-49.36	292.47	-2.42	-51.78
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O)C1CCC1	REAL250005042754	0	37	-1.0	-46.90	309.35	-1.90	-48.80
O=C(CC1CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042755	0	37	-1.0	-47.34	314.49	-1.65	-48.99
COCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042756	0	34	-1.0	-49.92	295.35	-3.81	-53.73
CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042757	0	36	-1.0	-47.14	305.03	-2.43	-49.57
CC(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042758	0	39	-1.0	-46.74	321.77	-1.84	-48.58
CC1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042759	0	37	-1.0	-46.56	309.08	-1.68	-48.24
CCOCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042760	0	37	-1.0	-49.86	317.22	-2.85	-52.71
CC(C)=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042761	0	37	-1.0	-48.45	311.37	-1.88	-50.33
CCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042762	0	39	-1.0	-47.14	326.57	-1.64	-48.78
CC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042763	0	36	-1.0	-47.01	303.13	-2.51	-49.52
CCC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042764	0	39	-1.0	-48.91	319.59	-1.87	-50.78
COC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042765	0	37	-1.0	-52.66	314.37	-3.12	-55.78
C=CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042766	0	37	-1.0	-49.14	316.25	-1.87	-51.01
CC=C(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042767	0	37	-1.0	-49.48	310.21	-1.88	-51.36
CC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2O)CC1	REAL250005042768	0	37	-1.0	-49.47	310.93	-1.86	-51.33
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042769	0	37	-1.0	-49.17	313.81	-1.74	-50.91
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042770	0	37	-1.0	-49.51	314.57	-1.77	-51.28
NC(=O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042771	0	31	-1.0	-48.23	278.01	-7.89	-56.12
CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042772	0	39	-1.0	-48.25	320.29	-1.96	-50.21
C=CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042773	0	34	-1.0	-47.14	295.52	-2.63	-49.77
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042774	0	39	0.0	-65.05	319.14	-2.47	-67.52
CN(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042774	1	38	-1.0	-47.79	317.08	-4.85	-52.64
C=CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042775	0	35	-1.0	-50.19	304.02	-4.64	-54.83
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O)C1COC1	REAL250005042776	0	35	-1.0	-47.56	299.97	-4.69	-52.25
CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042777	0	37	-1.0	-52.91	315.40	-3.16	-56.07
CCC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042778	0	37	-1.0	-49.41	317.35	-1.84	-51.25
O=C(CO)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042780	0	31	-1.0	-51.35	273.08	-6.10	-57.45
CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042781	0	34	-1.0	-50.64	293.47	-5.37	-56.01
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O)C1CC1F	REAL250005042782	0	34	-1.0	-46.37	299.95	-2.31	-48.68
O=C(CCF)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042783	0	33	-1.0	-46.85	290.17	-3.05	-49.90
O=C(C=CCF)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042784	0	34	-1.0	-51.32	302.44	-2.49	-53.81
C#CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042785	0	35	-1.0	-47.66	310.85	-1.90	-49.56
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O)C1CCO1	REAL250005042786	0	35	-1.0	-54.58	301.37	-3.61	-58.19
CC(C)(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042787	0	37	-1.0	-46.52	314.04	-5.77	-52.29
CC1=CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042788	0	35	-1.0	-50.20	307.48	-1.71	-51.91
C[C@@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042789	0	34	-1.0	-48.41	294.35	-5.34	-53.75
O=C(C=CCO)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042790	0	35	-1.0	-52.78	307.36	-5.97	-58.75
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O)C1=CCC1	REAL250005042791	0	35	-1.0	-47.95	303.11	-1.90	-49.85
CON=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042792	0	34	-1.0	-50.01	306.01	-4.60	-54.61
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O)C1(F)CC1	REAL250005042793	0	34	-1.0	-46.81	300.27	-2.36	-49.17
CC=C(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042794	0	34	-1.0	-47.71	300.49	-2.52	-50.23
CC(CO)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042795	0	37	-1.0	-47.66	313.68	-5.80	-53.46
C[C@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042796	0	34	-1.0	-50.04	293.47	-5.37	-55.41
C=C1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042797	0	35	-1.0	-47.27	306.69	-1.83	-49.10
C=C(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042798	0	37	-1.0	-47.05	317.18	-1.98	-49.03
CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042799	0	34	-1.0	-49.96	296.32	-2.60	-52.56
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042800	0	37	-1.0	-49.17	313.81	-1.74	-50.91
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O)C1(O)CC1	REAL250005042801	0	35	-1.0	-46.57	301.48	-5.48	-52.05
O=C(CC1CC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042802	0	37	-1.0	-54.55	316.67	-1.52	-56.07
COCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042803	0	34	-1.0	-58.20	297.59	-3.65	-61.85
CCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042804	0	36	-1.0	-53.80	307.14	-2.29	-56.09
CC(C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042805	0	39	-1.0	-53.11	323.79	-1.70	-54.81
CC1CC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042806	0	37	-1.0	-52.75	316.56	-1.65	-54.40
CCOCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042807	0	37	-1.0	-58.25	319.45	-2.69	-60.94
CC(C)=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042808	0	37	-1.0	-53.62	313.75	-1.79	-55.41
CCCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042809	0	39	-1.0	-54.77	327.87	-1.51	-56.28
CC(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042810	0	36	-1.0	-45.60	304.26	-2.55	-48.15
CCC(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042811	0	39	-1.0	-53.27	322.62	-1.94	-55.21
COC(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042812	0	37	-1.0	-56.83	313.75	-3.17	-60.00
C=CCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042813	0	37	-1.0	-54.47	319.19	-1.73	-56.20
CC(C#N)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042814	0	34	-1.0	-49.90	303.90	-2.93	-52.83
CC=C(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042815	0	37	-1.0	-52.28	319.01	-1.92	-54.20
CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042816	0	33	-1.0	-54.86	284.87	-3.06	-57.92
COCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042817	0	37	-1.0	-53.47	318.55	-3.98	-57.45
CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042818	0	30	-1.0	-54.52	263.82	-3.88	-58.40
O=C(N[C@@H]1CN(C(=O)C2CC2)C[C@@H]1O)C1=CC(=O)[N-]O1	REAL250005042819	0	34	-1.0	-53.51	295.56	-2.33	-55.84
O=C(N[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1O)C1=CC(=O)[N-]O1	REAL250005042820	0	37	-1.0	-53.96	313.10	-1.76	-55.72
NC(=O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042821	0	31	-1.0	-49.95	278.78	-7.73	-57.68
CC(C)(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042822	0	39	-1.0	-45.62	313.89	-2.38	-48.00
CC1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](O)C2)CC1	REAL250005042823	0	37	-1.0	-54.19	313.53	-1.99	-56.18
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042824	0	37	-1.0	-52.63	317.43	-1.62	-54.25
C[C@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042825	0	37	-1.0	-54.02	317.84	-1.62	-55.64
O=C(CO)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042826	0	31	-1.0	-60.15	275.34	-5.93	-66.08
O=C(N[C@@H]1CN(C(=O)C2CCO2)C[C@@H]1O)C1=CC(=O)[N-]O1	REAL250005042827	0	35	-1.0	-59.07	302.65	-3.60	-62.67
O=C(N[C@@H]1CN(C(=O)C2COC2)C[C@@H]1O)C1=CC(=O)[N-]O1	REAL250005042828	0	35	-1.0	-52.73	302.18	-4.53	-57.26
O=C(C=CCO)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042829	0	35	-1.0	-58.00	310.39	-5.83	-63.83
CCC=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042830	0	37	-1.0	-53.74	319.57	-1.73	-55.47
C#CCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042831	0	35	-1.0	-54.04	312.16	-1.77	-55.81
C=CC(O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042832	0	35	-1.0	-52.31	302.70	-4.63	-56.94
CC(O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042833	0	34	-1.0	-49.27	292.00	-5.42	-54.69
CC(=O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042834	0	32	-1.0	-48.45	284.20	-3.93	-52.38
O=C(N[C@@H]1CN(C(=O)C2(F)CC2)C[C@@H]1O)C1=CC(=O)[N-]O1	REAL250005042835	0	34	-1.0	-49.44	299.11	-2.39	-51.83
CC=C(F)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042836	0	34	-1.0	-50.05	300.35	-2.52	-52.57
CC(CO)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042837	0	37	-1.0	-52.94	315.89	-5.86	-58.80
O=C(N[C@@H]1CN(C(=O)C2(O)CC2)C[C@@H]1O)C1=CC(=O)[N-]O1	REAL250005042838	0	35	-1.0	-51.19	307.70	-5.71	-56.90
O=C(N[C@@H]1CN(C(=O)C2=CCC2)C[C@@H]1O)C1=CC(=O)[N-]O1	REAL250005042839	0	35	-1.0	-55.39	302.32	-2.01	-57.40
CC=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042840	0	34	-1.0	-52.89	298.19	-2.48	-55.37
O=C(C=CCF)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042841	0	34	-1.0	-55.96	304.67	-2.38	-58.34
C[C@H](O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042843	0	34	-1.0	-53.94	291.80	-5.40	-59.34
CON=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042844	0	34	-1.0	-56.08	306.42	-4.55	-60.63
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042845	0	37	-1.0	-52.63	317.43	-1.62	-54.25
CC(C)(O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042846	0	37	-1.0	-46.65	310.51	-5.53	-52.18
C=C(C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042847	0	37	-1.0	-54.37	319.40	-1.86	-56.23
C=CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042848	0	34	-1.0	-54.02	298.56	-2.51	-56.53
C[NH+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042849	0	39	0.0	-76.49	321.16	-2.36	-78.85
CN(C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042849	1	38	-1.0	-53.84	319.07	-4.75	-58.59
N#CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042850	0	31	-1.0	-64.00	284.34	-3.37	-67.37
O=C(N[C@@H]1CN(C(=O)C2CC2F)C[C@@H]1O)C1=CC(=O)[N-]O1	REAL250005042851	0	34	-1.0	-51.36	303.12	-2.19	-53.55
O=C(CCF)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042852	0	33	-1.0	-52.96	291.47	-2.92	-55.88
CO[C@H](C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042853	0	37	-1.0	-56.20	313.54	-3.19	-59.39
C[C@@H](O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042854	0	34	-1.0	-54.00	291.41	-5.43	-59.43
C=C1CC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042855	0	35	-1.0	-53.74	309.22	-1.76	-55.50
CC1=CC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042856	0	35	-1.0	-54.63	311.23	-1.59	-56.22
C=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042857	0	31	-1.0	-54.48	275.69	-3.39	-57.87
CCC(=O)N1CC[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005042858	0	39	-1.0	-57.43	305.89	2.58	-54.85
CC(=O)N1CC[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005042859	0	36	-1.0	-57.01	285.44	2.03	-54.98
O=C(CO)N1CC[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005042860	0	37	-1.0	-64.45	291.27	0.31	-64.14
CCC(=O)N1CC[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005042861	0	39	-1.0	-54.16	299.80	3.56	-50.60
CC(=O)N1CC[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005042862	0	36	-1.0	-54.11	279.39	2.80	-51.31
O=C(CO)N1CC[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005042863	0	37	-1.0	-59.46	291.35	-0.08	-59.54
C=CC(=O)N1CC[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005042864	0	37	-1.0	-58.71	296.80	2.31	-56.40
CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042865	0	38	-1.0	-44.29	314.05	0.44	-43.85
CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042866	0	35	-1.0	-44.66	293.77	-0.38	-45.04
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005042867	0	39	-1.0	-44.27	324.57	1.21	-43.06
COCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042868	0	39	-1.0	-46.93	326.78	-0.19	-47.12
CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042869	0	41	-1.0	-44.15	335.55	1.21	-42.94
CC(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042870	0	41	-1.0	-43.99	333.60	1.10	-42.89
NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042871	0	36	-1.0	-46.22	309.40	-4.22	-50.44
C=CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042872	0	39	-1.0	-44.59	326.97	0.98	-43.61
O=C(CO)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042873	0	36	-1.0	-48.33	304.53	-2.48	-50.81
CC(O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042874	0	39	-1.0	-45.62	324.85	-1.70	-47.32
O=C(CCF)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042875	0	38	-1.0	-44.03	320.65	0.57	-43.46
C[C@@H](O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042876	0	39	-1.0	-44.41	324.85	-1.70	-46.11
C[C@H](O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042877	0	39	-1.0	-45.62	324.85	-1.70	-47.32
CC=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042878	0	39	-1.0	-44.59	327.63	1.06	-43.53
COCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042879	0	39	-1.0	-46.93	326.78	-0.19	-47.12
CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042880	0	41	-1.0	-44.15	335.55	1.21	-42.94
CC(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042881	0	41	-1.0	-43.99	333.60	1.10	-42.89
CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042882	0	38	-1.0	-44.29	314.05	0.44	-43.85
CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042883	0	35	-1.0	-44.66	293.77	-0.38	-45.04
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005042884	0	39	-1.0	-44.27	324.57	1.21	-43.06
NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042885	0	36	-1.0	-46.22	309.40	-4.22	-50.44
O=C(CO)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042886	0	36	-1.0	-48.33	304.53	-2.48	-50.81
CC(O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042887	0	39	-1.0	-45.62	324.85	-1.70	-47.32
CC(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042888	0	37	-1.0	-44.71	316.79	-0.42	-45.13
CC=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042889	0	39	-1.0	-44.59	327.63	1.06	-43.53
C[C@H](O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042890	0	39	-1.0	-45.62	324.85	-1.70	-47.32
C=CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042891	0	39	-1.0	-44.59	326.97	0.98	-43.61
N#CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042892	0	36	-1.0	-51.27	313.51	0.12	-51.15
O=C(CCF)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042893	0	38	-1.0	-44.03	320.65	0.57	-43.46
C[C@@H](O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042894	0	39	-1.0	-44.41	324.85	-1.70	-46.11
C=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042895	0	36	-1.0	-44.76	305.90	0.17	-44.59
CCC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042896	0	35	-1.0	-48.71	300.58	-0.30	-49.01
COCCC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042897	0	39	-1.0	-48.47	334.29	-1.23	-49.70
CC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042898	0	32	-1.0	-49.02	280.29	-1.12	-50.14
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005042899	0	36	-1.0	-48.53	311.16	0.46	-48.07
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005042900	0	39	-1.0	-48.44	327.32	0.97	-47.47
O=C(CC1CC1)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042901	0	39	-1.0	-48.80	331.53	1.23	-47.57
CC(C)(F)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042902	0	38	-1.0	-46.71	327.47	0.35	-46.36
COCC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042903	0	36	-1.0	-51.79	313.30	-0.94	-52.73
CCCC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042904	0	38	-1.0	-48.50	322.14	0.46	-48.04
CC(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042905	0	41	-1.0	-48.03	338.81	1.05	-46.98
CC1CC1C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042906	0	39	-1.0	-47.83	327.02	1.19	-46.64
CCOCC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042907	0	39	-1.0	-51.86	335.16	0.02	-51.84
CC(C)=CC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042908	0	39	-1.0	-47.86	330.06	1.00	-46.86
CSCC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042909	0	36	-1.0	-50.90	323.70	0.12	-50.78
CCCCC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042910	0	41	-1.0	-48.53	343.59	1.25	-47.28
CC(C)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042911	0	38	-1.0	-48.35	320.13	0.37	-47.98
CCC(C)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042912	0	41	-1.0	-48.22	338.32	1.01	-47.21
COC(C)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042913	0	39	-1.0	-51.64	332.30	-0.18	-51.82
C=CCCC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042914	0	39	-1.0	-48.33	334.89	1.03	-47.30
CC=C(C)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042915	0	39	-1.0	-48.86	328.90	0.98	-47.88
CC1(C(=O)NC[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005042916	0	39	-1.0	-48.36	328.91	1.07	-47.29
C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042917	0	39	-1.0	-48.46	332.48	1.14	-47.32
CCC(F)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042918	0	38	-1.0	-48.87	328.36	0.50	-48.37
O=C(CCCF)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042919	0	38	-1.0	-51.12	328.67	0.60	-50.52
C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042920	0	39	-1.0	-48.44	332.52	1.14	-47.30
NC(=O)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042921	0	33	-1.0	-47.90	295.93	-4.97	-52.87
CC(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042922	0	41	-1.0	-48.30	339.03	0.94	-47.36
C=CCC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042923	0	36	-1.0	-48.86	313.49	0.24	-48.62
C[NH+](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042924	0	41	0.0	-71.32	336.18	0.42	-70.90
CN(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042924	1	40	-1.0	-49.04	334.09	-1.97	-51.01
C=CC(O)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042925	0	37	-1.0	-48.85	321.94	-1.71	-50.56
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005042926	0	37	-1.0	-49.15	317.89	-1.80	-50.95
CO[C@H](C)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042927	0	39	-1.0	-51.55	333.10	-0.23	-51.78
CCC=CC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042928	0	39	-1.0	-48.64	335.26	1.07	-47.57
O=C(CO)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042930	0	33	-1.0	-53.44	291.05	-3.23	-56.67
CC(O)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042931	0	36	-1.0	-52.92	311.72	-2.45	-55.37
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005042932	0	36	-1.0	-52.64	315.84	0.57	-52.07
O=C(CCF)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042933	0	35	-1.0	-48.00	307.19	-0.16	-48.16
O=C(C=CCF)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042934	0	36	-1.0	-50.83	320.38	0.42	-50.41
C#CCCC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042935	0	37	-1.0	-48.68	327.88	0.98	-47.70
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005042936	0	37	-1.0	-52.84	319.50	-0.76	-53.60
CC(C)(O)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042937	0	39	-1.0	-47.15	331.06	-2.87	-50.02
CC1=CC1C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042938	0	37	-1.0	-49.32	326.13	1.18	-48.14
C[C@@H](O)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042939	0	36	-1.0	-52.88	311.77	-2.45	-55.33
O=C(C=CCO)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042940	0	37	-1.0	-52.13	325.30	-3.06	-55.19
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005042941	0	37	-1.0	-49.38	321.58	1.04	-48.34
CON=CC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042942	0	36	-1.0	-51.55	323.05	-1.73	-53.28
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005042943	0	36	-1.0	-47.09	317.54	0.52	-46.57
CC=C(F)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042944	0	36	-1.0	-46.48	319.13	0.38	-46.10
CC(CO)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042945	0	39	-1.0	-48.49	330.77	-2.91	-51.40
C[C@H](O)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042946	0	36	-1.0	-49.70	311.38	-2.43	-52.13
C=C1CC1C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042947	0	37	-1.0	-48.61	324.67	1.04	-47.57
CC(CF)C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042948	0	38	-1.0	-47.48	326.11	0.51	-46.97
C=C(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042949	0	39	-1.0	-48.66	335.11	0.89	-47.77
CC=CC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042950	0	36	-1.0	-48.75	314.21	0.30	-48.45
C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042951	0	39	-1.0	-48.46	332.48	1.14	-47.32
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005042952	0	37	-1.0	-48.18	319.42	-2.60	-50.78
O=C(CC1CC1)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042953	0	39	-1.0	-48.64	331.54	1.23	-47.41
CC(C)(F)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042954	0	38	-1.0	-47.45	327.05	0.35	-47.10
COCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042955	0	36	-1.0	-51.67	313.31	-0.95	-52.62
CCCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042956	0	38	-1.0	-48.30	322.08	0.46	-47.84
CC(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042957	0	41	-1.0	-47.83	338.81	1.04	-46.79
CC1CC1C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042958	0	39	-1.0	-47.57	327.04	1.18	-46.39
CCOCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042959	0	39	-1.0	-51.64	335.16	0.01	-51.63
CC(C)=CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042960	0	39	-1.0	-47.59	329.96	0.99	-46.60
CSCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042961	0	36	-1.0	-50.84	323.69	0.12	-50.72
CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042962	0	41	-1.0	-48.32	343.58	1.24	-47.08
CC(C)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042963	0	38	-1.0	-48.14	320.15	0.35	-47.79
CCC(C)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042964	0	41	-1.0	-48.08	338.28	1.00	-47.08
COC(C)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042965	0	39	-1.0	-51.37	332.30	-0.20	-51.57
C=CCCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042966	0	39	-1.0	-48.32	334.91	1.02	-47.30
CC(C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042967	0	36	-1.0	-55.44	319.57	-0.02	-55.46
CC=C(C)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042968	0	39	-1.0	-48.73	328.89	0.99	-47.74
CCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042969	0	35	-1.0	-48.54	300.59	-0.31	-48.85
COCCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042970	0	39	-1.0	-48.24	334.26	-1.24	-49.48
CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042971	0	32	-1.0	-48.79	280.30	-1.13	-49.92
O=C(NC[C@@H]1C[C@H](NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005042972	0	36	-1.0	-48.37	311.11	0.45	-47.92
O=C(NC[C@@H]1C[C@H](NC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005042973	0	39	-1.0	-48.18	327.30	0.96	-47.22
NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042974	0	33	-1.0	-47.47	295.95	-4.97	-52.44
CC(C)(C)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042975	0	41	-1.0	-48.11	339.02	0.93	-47.18
CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005042976	0	39	-1.0	-48.29	328.86	1.07	-47.22
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042977	0	39	-1.0	-48.35	332.50	1.13	-47.22
CCC(F)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042978	0	38	-1.0	-49.42	328.36	0.49	-48.93
O=C(CCCF)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042979	0	38	-1.0	-51.03	328.72	0.59	-50.44
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042980	0	39	-1.0	-48.25	332.50	1.13	-47.12
O=C(CO)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042981	0	33	-1.0	-53.25	291.11	-3.26	-56.51
O=C(NC[C@@H]1C[C@H](NC(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005042982	0	37	-1.0	-52.65	319.50	-0.79	-53.44
O=C(NC[C@@H]1C[C@H](NC(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005042983	0	37	-1.0	-49.05	317.90	-1.82	-50.87
O=C(C=CCO)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042984	0	37	-1.0	-51.95	325.26	-3.05	-55.00
CCC=CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042985	0	39	-1.0	-48.38	335.24	1.06	-47.32
C#CCCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042986	0	37	-1.0	-48.43	327.89	0.97	-47.46
C=CC(O)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042987	0	37	-1.0	-48.74	324.59	-1.92	-50.66
CC(O)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042988	0	36	-1.0	-49.15	311.44	-2.46	-51.61
CC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042989	0	34	-1.0	-46.42	302.33	-1.18	-47.60
O=C(NC[C@@H]1C[C@H](NC(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005042990	0	36	-1.0	-46.30	317.49	0.50	-45.80
CC=C(F)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042991	0	36	-1.0	-46.23	319.13	0.37	-45.86
CC(CO)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042992	0	39	-1.0	-48.31	330.77	-2.93	-51.24
O=C(NC[C@@H]1C[C@H](NC(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005042993	0	37	-1.0	-48.37	319.42	-2.62	-50.99
O=C(N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005042994	0	37	-1.0	-49.19	321.12	0.96	-48.23
CC(CF)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042995	0	38	-1.0	-47.31	325.99	0.49	-46.82
CC=CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042996	0	36	-1.0	-48.58	314.16	0.31	-48.27
O=C(C=CCF)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042997	0	36	-1.0	-50.63	320.34	0.43	-50.20
C[C@H](O)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042999	0	36	-1.0	-49.11	311.39	-2.46	-51.57
CON=CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043000	0	36	-1.0	-51.27	323.04	-1.73	-53.00
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043001	0	39	-1.0	-48.35	332.50	1.13	-47.22
CC(C)(O)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043002	0	39	-1.0	-46.89	331.08	-2.90	-49.79
C=C(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043003	0	39	-1.0	-48.31	335.15	0.89	-47.42
C=CCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043004	0	36	-1.0	-48.60	313.52	0.23	-48.37
C[NH+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043005	0	41	0.0	-70.82	336.17	0.40	-70.42
CN(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043005	1	40	-1.0	-48.82	334.15	-2.00	-50.82
N#CCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043006	0	33	-1.0	-57.24	300.05	-0.64	-57.88
O=C(NC[C@@H]1C[C@H](NC(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005043007	0	36	-1.0	-47.52	317.90	0.55	-46.97
O=C(CCF)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043008	0	35	-1.0	-47.70	307.18	-0.17	-47.87
CO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043009	0	39	-1.0	-51.52	333.11	-0.25	-51.77
C[C@@H](O)C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043010	0	36	-1.0	-52.87	311.73	-2.47	-55.34
C=C1CC1C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043011	0	37	-1.0	-48.43	324.60	1.02	-47.41
CC1=CC1C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043012	0	37	-1.0	-49.09	326.14	1.17	-47.92
C=CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043013	0	33	-1.0	-48.77	292.43	-0.58	-49.35
CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043014	0	35	-1.0	-47.16	300.45	-0.26	-47.42
COCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043015	0	39	-1.0	-47.18	334.11	-1.19	-48.37
CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043016	0	32	-1.0	-47.42	279.93	-1.06	-48.48
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005043017	0	36	-1.0	-47.04	310.96	0.51	-46.53
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005043018	0	39	-1.0	-46.77	327.24	1.00	-45.77
O=C(CC1CC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043019	0	39	-1.0	-47.12	331.44	1.27	-45.85
CC(C)(F)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043020	0	38	-1.0	-45.93	327.28	0.40	-45.53
COCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043021	0	36	-1.0	-50.06	313.25	-0.89	-50.95
CCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043022	0	38	-1.0	-46.92	321.94	0.51	-46.41
CC(C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043023	0	41	-1.0	-46.47	338.67	1.09	-45.38
CC1CC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043024	0	39	-1.0	-46.94	332.35	1.18	-45.76
CCOCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043025	0	39	-1.0	-50.06	335.02	0.06	-50.00
CC(C)=CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043026	0	39	-1.0	-46.47	329.94	1.05	-45.42
CSCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043027	0	36	-1.0	-49.15	323.57	0.16	-48.99
CCCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043028	0	41	-1.0	-46.92	343.44	1.29	-45.63
CC(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043029	0	38	-1.0	-46.75	320.06	0.41	-46.34
CCC(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043030	0	41	-1.0	-46.62	338.11	1.06	-45.56
COC(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043031	0	39	-1.0	-49.81	332.15	-0.13	-49.94
C=CCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043032	0	39	-1.0	-46.93	334.82	1.07	-45.86
CC=C(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043033	0	39	-1.0	-47.28	328.76	1.02	-46.26
CC1(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005043034	0	39	-1.0	-46.81	328.70	1.11	-45.70
C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043035	0	39	-1.0	-46.91	332.35	1.17	-45.74
CCC(F)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043036	0	38	-1.0	-47.63	328.26	0.54	-47.09
O=C(CCCF)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043037	0	38	-1.0	-49.32	328.59	0.64	-48.68
C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043038	0	39	-1.0	-46.88	332.40	1.17	-45.71
NC(=O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043039	0	33	-1.0	-47.70	295.80	-4.93	-52.63
CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043040	0	41	-1.0	-46.65	338.89	0.98	-45.67
C=CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043041	0	36	-1.0	-47.30	313.38	0.27	-47.03
C[NH+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043042	0	41	0.0	-69.12	336.10	0.46	-68.66
CN(C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043042	1	40	-1.0	-47.41	334.01	-1.93	-49.34
C=CC(O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043043	0	37	-1.0	-47.47	324.45	-1.85	-49.32
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005043044	0	37	-1.0	-47.75	317.81	-1.75	-49.50
CO[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043045	0	39	-1.0	-49.75	332.95	-0.20	-49.95
CCC=CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043046	0	39	-1.0	-47.04	335.12	1.11	-45.93
O=C(CO)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043048	0	33	-1.0	-51.62	290.91	-3.18	-54.80
CC(O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043049	0	36	-1.0	-47.94	311.25	-2.39	-50.33
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005043050	0	36	-1.0	-46.63	317.84	0.61	-46.02
O=C(CCF)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043051	0	35	-1.0	-46.64	307.04	-0.12	-46.76
O=C(C=CCF)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043052	0	36	-1.0	-48.91	320.28	0.47	-48.44
C#CCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043053	0	37	-1.0	-47.24	327.73	1.03	-46.21
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005043054	0	37	-1.0	-50.86	319.43	-0.73	-51.59
CC(C)(O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043055	0	39	-1.0	-46.24	330.92	-2.83	-49.07
CC1=CC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043056	0	37	-1.0	-47.86	326.01	1.21	-46.65
C[C@@H](O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043057	0	36	-1.0	-47.95	311.24	-2.40	-50.35
O=C(C=CCO)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043058	0	37	-1.0	-50.25	325.12	-3.01	-53.26
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005043059	0	37	-1.0	-47.85	321.46	1.09	-46.76
CON=CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043060	0	36	-1.0	-50.01	322.92	-1.69	-51.70
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005043061	0	36	-1.0	-46.11	317.41	0.55	-45.56
CC=C(F)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043062	0	36	-1.0	-45.76	318.98	0.42	-45.34
CC(CO)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043063	0	39	-1.0	-47.22	330.58	-2.87	-50.09
C[C@H](O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043064	0	36	-1.0	-47.89	311.24	-2.39	-50.28
C=C1CC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043065	0	37	-1.0	-47.25	324.58	1.06	-46.19
CC(CF)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043066	0	38	-1.0	-46.12	325.97	0.55	-45.57
C=C(C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043067	0	39	-1.0	-47.03	335.00	0.93	-46.10
CC=CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043068	0	36	-1.0	-47.30	314.09	0.35	-46.95
C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043069	0	39	-1.0	-46.91	332.35	1.17	-45.74
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005043070	0	37	-1.0	-47.20	319.34	-2.56	-49.76
O=C(CC1CC1)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043071	0	39	-1.0	-48.46	331.38	1.26	-47.20
CC(C)(F)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043072	0	38	-1.0	-46.30	327.28	0.40	-45.90
COCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043073	0	36	-1.0	-51.52	313.17	-0.91	-52.43
CCCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043074	0	38	-1.0	-48.25	321.99	0.50	-47.75
CC(C)CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043075	0	41	-1.0	-47.81	338.76	1.07	-46.74
CC1CC1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043076	0	39	-1.0	-48.14	332.34	1.16	-46.98
CCOCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043077	0	39	-1.0	-51.60	335.07	0.04	-51.56
CC(C)=CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043078	0	39	-1.0	-47.48	329.95	1.04	-46.44
CSCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043079	0	36	-1.0	-50.63	323.51	0.15	-50.48
CCCCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043080	0	41	-1.0	-48.30	343.52	1.27	-47.03
CC(C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043081	0	38	-1.0	-48.12	320.05	0.41	-47.71
CCC(C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043082	0	41	-1.0	-47.98	338.17	1.04	-46.94
COC(C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043083	0	39	-1.0	-51.29	332.96	-0.20	-51.49
C=CCCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043084	0	39	-1.0	-48.18	334.76	1.05	-47.13
CC(C#N)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043085	0	36	-1.0	-55.39	319.50	0.03	-55.36
CC=C(C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043086	0	39	-1.0	-48.57	328.83	1.03	-47.54
CCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043087	0	35	-1.0	-48.40	300.45	-0.27	-48.67
COCCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043088	0	39	-1.0	-48.28	334.19	-1.21	-49.49
CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043089	0	32	-1.0	-48.70	279.92	-1.07	-49.77
O=C(NC[C@@H]1C[C@@H](NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005043090	0	36	-1.0	-48.20	310.97	0.50	-47.70
O=C(NC[C@@H]1C[C@@H](NC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005043091	0	39	-1.0	-48.08	327.17	0.99	-47.09
NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043092	0	33	-1.0	-47.44	295.86	-4.93	-52.37
CC(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043093	0	41	-1.0	-48.03	338.95	0.97	-47.06
CC1(C(=O)N[C@H]2C[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005043094	0	39	-1.0	-48.05	328.76	1.11	-46.94
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043095	0	39	-1.0	-48.12	332.34	1.17	-46.95
CCC(F)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043096	0	38	-1.0	-49.41	328.26	0.53	-48.88
O=C(CCCF)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043097	0	38	-1.0	-50.84	328.56	0.64	-50.20
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043098	0	39	-1.0	-48.11	332.34	1.17	-46.94
O=C(CO)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043099	0	33	-1.0	-53.14	290.91	-3.20	-56.34
O=C(NC[C@@H]1C[C@@H](NC(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005043100	0	37	-1.0	-52.86	318.93	-0.65	-53.51
O=C(NC[C@@H]1C[C@@H](NC(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005043101	0	37	-1.0	-48.89	317.80	-1.77	-50.66
O=C(C=CCO)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043102	0	37	-1.0	-51.83	325.15	-3.01	-54.84
CCC=CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043103	0	39	-1.0	-48.23	335.11	1.11	-47.12
C#CCCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043104	0	37	-1.0	-48.43	327.72	1.02	-47.41
C=CC(O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043105	0	37	-1.0	-48.91	324.45	-1.88	-50.79
CC(O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043106	0	36	-1.0	-49.49	311.27	-2.42	-51.91
CC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043107	0	34	-1.0	-46.35	303.24	-1.11	-47.46
O=C(NC[C@@H]1C[C@@H](NC(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005043108	0	36	-1.0	-46.67	317.16	0.56	-46.11
CC=C(F)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043109	0	36	-1.0	-46.15	319.00	0.43	-45.72
CC(CO)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043110	0	39	-1.0	-48.23	330.58	-2.88	-51.11
O=C(NC[C@@H]1C[C@@H](NC(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005043111	0	37	-1.0	-47.93	319.28	-2.56	-50.49
O=C(N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005043112	0	37	-1.0	-49.02	321.45	1.09	-47.93
CC(CF)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043113	0	38	-1.0	-47.26	325.98	0.54	-46.72
CC=CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043114	0	36	-1.0	-48.44	314.02	0.35	-48.09
O=C(C=CCF)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043115	0	36	-1.0	-50.59	320.29	0.47	-50.12
C[C@H](O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043117	0	36	-1.0	-49.49	311.25	-2.42	-51.91
CON=CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043118	0	36	-1.0	-51.29	322.98	-1.68	-52.97
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043119	0	39	-1.0	-48.12	332.34	1.17	-46.95
CC(C)(O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043120	0	39	-1.0	-47.08	330.92	-2.84	-49.92
C=C(C)CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043121	0	39	-1.0	-48.27	334.97	0.93	-47.34
C=CCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043122	0	36	-1.0	-48.66	313.38	0.28	-48.38
C[NH+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043123	0	41	0.0	-70.84	336.03	0.45	-70.39
CN(C)CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043123	1	40	-1.0	-48.73	334.02	-1.93	-50.66
N#CCC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043124	0	33	-1.0	-57.35	299.99	-0.60	-57.95
O=C(NC[C@@H]1C[C@@H](NC(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005043125	0	36	-1.0	-47.01	317.76	0.60	-46.41
O=C(CCF)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043126	0	35	-1.0	-47.76	307.04	-0.13	-47.89
CO[C@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043127	0	39	-1.0	-51.45	332.95	-0.21	-51.66
C[C@@H](O)C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043128	0	36	-1.0	-49.49	311.25	-2.42	-51.91
C=C1CC1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043129	0	37	-1.0	-48.40	324.56	1.07	-47.33
CC1=CC1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043130	0	37	-1.0	-49.03	326.02	1.21	-47.82
C=CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043131	0	33	-1.0	-48.64	292.36	-0.54	-49.18
CCC(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043132	0	38	-1.0	-49.79	317.16	0.43	-49.36
CC(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043133	0	35	-1.0	-49.17	296.74	-0.42	-49.59
O=C(N[C@@H]1CC[C@H](CNC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005043134	0	39	-1.0	-48.56	328.03	1.17	-47.39
COCC(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043135	0	39	-1.0	-53.03	329.88	-0.21	-53.24
CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043136	0	41	-1.0	-49.62	338.66	1.20	-48.42
CC(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043137	0	41	-1.0	-48.58	336.87	1.06	-47.52
NC(=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043138	0	36	-1.0	-47.52	312.84	-4.24	-51.76
C=CCC(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043139	0	39	-1.0	-49.13	330.25	0.93	-48.20
O=C(CO)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043140	0	36	-1.0	-53.77	307.81	-2.54	-56.31
CC(O)C(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043141	0	39	-1.0	-52.95	327.84	-1.69	-54.64
O=C(CCF)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043142	0	38	-1.0	-48.99	323.75	0.57	-48.42
C[C@@H](O)C(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043143	0	39	-1.0	-49.91	328.04	-1.72	-51.63
C[C@H](O)C(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043144	0	39	-1.0	-49.70	328.04	-1.72	-51.42
CC=CC(=O)NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043145	0	39	-1.0	-48.91	330.90	0.99	-47.92
COCC(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043146	0	39	-1.0	-51.26	330.23	-0.22	-51.48
CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043147	0	41	-1.0	-47.97	339.02	1.18	-46.79
CC(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043148	0	41	-1.0	-47.80	337.06	1.08	-46.72
CCC(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043149	0	38	-1.0	-48.16	317.33	0.41	-47.75
CC(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043150	0	35	-1.0	-48.41	297.01	-0.42	-48.83
O=C(NC[C@H]1CC[C@@H](NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005043151	0	39	-1.0	-47.96	328.02	1.19	-46.77
NC(=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043152	0	36	-1.0	-47.05	312.58	-4.25	-51.30
O=C(CO)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043153	0	36	-1.0	-52.81	307.97	-2.50	-55.31
CC(O)C(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043154	0	39	-1.0	-48.74	328.14	-1.76	-50.50
CC(=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043155	0	37	-1.0	-45.98	319.50	-0.44	-46.42
CC=CC(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043156	0	39	-1.0	-48.20	330.90	1.01	-47.19
C[C@H](O)C(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043157	0	39	-1.0	-48.68	328.11	-1.76	-50.44
C=CCC(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043158	0	39	-1.0	-48.22	330.25	0.92	-47.30
N#CCC(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043159	0	36	-1.0	-56.90	316.96	0.09	-56.81
O=C(CCF)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043160	0	38	-1.0	-46.70	323.75	0.58	-46.12
C[C@@H](O)C(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043161	0	39	-1.0	-48.77	328.27	-1.71	-50.48
C=CC(=O)N[C@@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043162	0	36	-1.0	-48.36	309.08	0.14	-48.22
CC(=O)N1CCCC(C)C1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005043163	0	41	-1.0	-47.93	314.89	1.88	-46.05
CC(=O)NCCC1C(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043164	0	41	-1.0	-53.50	311.20	1.05	-52.45
CCO[C@@H]1CN(C(C)=O)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043165	0	39	-1.0	-50.23	329.45	-0.28	-50.51
CCO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(C)=O	REAL250005043166	0	39	-1.0	-49.22	328.14	-0.32	-49.54
CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043167	0	41	-1.0	-51.14	323.75	2.04	-49.10
CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043168	0	38	-1.0	-51.39	301.43	2.09	-49.30
C[C@@H]1CCN(C(=O)CO)[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043169	0	39	-1.0	-56.41	313.12	-0.13	-56.54
CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043170	0	41	-1.0	-48.30	319.15	2.79	-45.51
CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043171	0	38	-1.0	-48.25	298.83	1.97	-46.28
C[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](CNC(=O)CO)C1	REAL250005043172	0	39	-1.0	-52.13	309.84	-0.12	-52.25
C=CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043173	0	39	-1.0	-48.73	311.17	2.51	-46.22
CCC(=O)N(C)CCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005043174	0	43	-1.0	-49.66	356.99	2.88	-46.78
CC(=O)N(C)CCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005043175	0	40	-1.0	-49.06	333.65	1.96	-47.10
CN(CCCCCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005043176	0	41	-1.0	-54.63	347.46	-0.02	-54.65
CCC(=O)NCCCCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005043177	0	43	-1.0	-51.88	354.25	2.78	-49.10
CC(=O)NCCCCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005043178	0	40	-1.0	-52.11	333.66	1.97	-50.14
CN(CCCCCCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005043179	0	41	-1.0	-56.75	344.72	-0.14	-56.89
C=CC(=O)NCCCCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005043180	0	41	-1.0	-52.11	346.10	2.50	-49.61
CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1CC	REAL250005043181	0	38	-1.0	-45.50	308.84	1.23	-44.27
CC[C@@H]1[C@@H](NC(C)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043182	0	35	-1.0	-45.80	288.53	0.42	-45.38
CC[C@@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043183	0	39	-1.0	-45.19	319.32	2.02	-43.17
CC[C@@H]1[C@@H](NC(=O)COC)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043184	0	39	-1.0	-47.72	321.26	0.59	-47.13
CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1CC	REAL250005043185	0	41	-1.0	-45.25	330.15	1.99	-43.26
CC[C@@H]1[C@@H](NC(=O)C(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043186	0	41	-1.0	-44.94	328.36	1.91	-43.03
CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043187	0	36	-1.0	-45.98	303.83	-3.20	-49.18
C=CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1CC	REAL250005043188	0	39	-1.0	-46.86	322.14	1.89	-44.97
CC[C@@H]1[C@@H](NC(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043189	0	36	-1.0	-50.96	299.75	-1.58	-52.54
CC[C@@H]1[C@@H](NC(=O)C(C)O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043190	0	39	-1.0	-47.44	321.37	-0.84	-48.28
CC[C@@H]1[C@@H](NC(=O)CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043191	0	38	-1.0	-45.26	315.24	1.36	-43.90
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043192	0	39	-1.0	-47.32	321.37	-0.85	-48.17
CC[C@@H]1[C@@H](NC(=O)[C@H](C)O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043193	0	39	-1.0	-47.43	321.37	-0.84	-48.27
CC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1CC	REAL250005043194	0	39	-1.0	-45.39	322.39	1.87	-43.52
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC	REAL250005043195	0	39	-1.0	-49.20	325.27	0.84	-48.36
CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1CC	REAL250005043196	0	41	-1.0	-45.65	333.52	2.14	-43.51
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)C	REAL250005043197	0	41	-1.0	-44.79	323.94	1.90	-42.89
CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1CC	REAL250005043198	0	38	-1.0	-45.70	311.87	1.35	-44.35
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(C)=O	REAL250005043199	0	35	-1.0	-45.69	289.42	0.49	-45.20
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1	REAL250005043200	0	39	-1.0	-45.96	321.98	2.20	-43.76
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(N)=O	REAL250005043201	0	36	-1.0	-44.33	304.30	-3.30	-47.63
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005043202	0	36	-1.0	-50.19	302.54	-1.56	-51.75
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)O	REAL250005043203	0	39	-1.0	-46.19	317.98	-1.05	-47.24
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)=O	REAL250005043204	0	37	-1.0	-43.40	311.65	0.62	-42.78
CC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1CC	REAL250005043205	0	39	-1.0	-46.29	324.80	2.06	-44.23
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H](C)O	REAL250005043206	0	39	-1.0	-46.96	318.43	-0.96	-47.92
C=CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1CC	REAL250005043207	0	39	-1.0	-46.00	324.94	1.93	-44.07
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC#N	REAL250005043208	0	36	-1.0	-53.77	311.53	1.04	-52.73
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCF	REAL250005043209	0	38	-1.0	-45.31	319.73	1.59	-43.72
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H](C)O	REAL250005043210	0	39	-1.0	-45.42	313.74	-1.13	-46.55
C=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1CC	REAL250005043211	0	36	-1.0	-45.89	302.74	1.05	-44.84
CC(=O)N1CCCC(N(CCO)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005043212	0	39	-1.0	-55.74	303.88	0.32	-55.42
CC(=O)N(CCO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005043213	0	39	-1.0	-47.86	305.54	-0.50	-48.36
CCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]2C1	REAL250005043214	0	39	-1.0	-48.88	307.00	2.48	-46.40
CC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]2C1	REAL250005043215	0	36	-1.0	-46.45	285.69	1.80	-44.65
O=C(CO)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]2C1	REAL250005043216	0	37	-1.0	-50.02	297.88	-0.26	-50.28
CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005043217	0	39	-1.0	-52.45	305.58	2.35	-50.10
CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005043218	0	36	-1.0	-55.92	286.92	2.15	-53.77
O=C(CO)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005043219	0	37	-1.0	-57.42	296.10	-0.57	-57.99
C=CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005043220	0	37	-1.0	-48.76	297.02	2.05	-46.71
CCC(=O)N(C)CCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005043221	0	41	-1.0	-51.38	334.91	2.44	-48.94
CC(=O)N(C)CCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005043222	0	38	-1.0	-49.08	315.79	1.11	-47.97
CCC(=O)N(C)CCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005043223	0	41	-1.0	-51.38	334.91	2.44	-48.94
CC(=O)N(C)CCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005043224	0	38	-1.0	-49.08	315.79	1.11	-47.97
C=CC(=O)N(C)CCOCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005043225	0	39	-1.0	-49.14	329.75	1.73	-47.41
CCC(=O)N1CCCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043226	0	41	-1.0	-45.75	312.30	2.48	-43.27
CC(=O)N1CCCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043227	0	38	-1.0	-47.17	289.36	1.51	-45.66
O=C(CO)N1CCCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043228	0	39	-1.0	-49.43	302.78	-0.47	-49.90
CCC(=O)NC1CCCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005043229	0	41	-1.0	-61.26	305.27	3.11	-58.15
CC(=O)NC1CCCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005043230	0	38	-1.0	-60.87	284.95	2.35	-58.52
O=C(CO)NC1CCCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005043231	0	39	-1.0	-67.25	295.74	-0.17	-67.42
C=CC(=O)NC1CCCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005043232	0	39	-1.0	-61.27	297.09	2.85	-58.42
CCC(=O)N1CCCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005043233	0	41	-1.0	-49.81	315.78	3.43	-46.38
CC(=O)N1CCCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005043234	0	38	-1.0	-49.59	293.57	2.49	-47.10
CN(C[C@@H]1CCCCN1C(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005043235	0	39	-1.0	-55.27	306.57	0.23	-55.04
CCC(=O)N(C)C[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043236	0	41	-1.0	-51.97	313.27	3.06	-48.91
CC(=O)N(C)C[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043237	0	38	-1.0	-50.84	295.32	2.34	-48.50
CN(C[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005043238	0	39	-1.0	-55.84	304.14	0.22	-55.62
C=CC(=O)N(C)C[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005043239	0	39	-1.0	-52.18	304.57	2.82	-49.36
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL250005043240	0	41	-1.0	-48.53	308.38	1.55	-46.98
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL250005043241	0	41	-1.0	-45.69	311.37	1.71	-43.98
CC(=O)N1CCC(N(CCO)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043242	0	39	-1.0	-59.20	304.77	0.40	-58.80
CC(=O)N(CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043243	0	39	-1.0	-55.26	305.68	-0.50	-55.76
CC(=O)NCC1CCC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005043244	0	41	-1.0	-51.14	314.11	2.51	-48.63
CC(=O)N1CC(C)(C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043245	0	41	-1.0	-51.00	315.82	2.76	-48.24
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043246	0	36	-1.0	-45.61	297.72	-2.67	-48.28
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043247	0	33	-1.0	-49.17	275.44	-3.32	-52.49
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O)C1CC1	REAL250005043248	0	37	-1.0	-49.00	306.38	-1.86	-50.86
COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043249	0	37	-1.0	-48.39	310.43	-3.29	-51.68
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043250	0	39	-1.0	-45.41	319.22	-1.88	-47.29
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043251	0	39	-1.0	-45.13	317.26	-1.98	-47.11
NC(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043252	0	34	-1.0	-45.49	293.06	-7.31	-52.80
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043253	0	37	-1.0	-45.71	310.62	-2.12	-47.83
O=C(CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043254	0	34	-1.0	-49.93	288.18	-5.57	-55.50
CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043255	0	37	-1.0	-46.04	308.51	-4.78	-50.82
C[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043256	0	37	-1.0	-49.06	308.68	-4.92	-53.98
C[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043257	0	37	-1.0	-49.34	308.08	-4.76	-54.10
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL250005043258	0	37	-1.0	-45.71	311.29	-2.03	-47.74
COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043259	0	37	-1.0	-50.42	309.08	-2.75	-53.17
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043260	0	39	-1.0	-47.60	317.86	-1.37	-48.97
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043261	0	39	-1.0	-47.12	316.19	-1.60	-48.72
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043262	0	36	-1.0	-48.18	300.54	-2.50	-50.68
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043263	0	33	-1.0	-51.03	279.31	-3.29	-54.32
O=C(NC1CCN(C(=O)C2CC2)CC1O)C1=CC(=O)[N-]O1	REAL250005043264	0	37	-1.0	-47.93	310.34	-1.76	-49.69
NC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043265	0	34	-1.0	-47.35	293.38	-7.29	-54.64
O=C(CO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043266	0	34	-1.0	-52.08	286.83	-5.03	-57.11
CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043267	0	37	-1.0	-48.73	306.93	-4.86	-53.59
CC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043268	0	35	-1.0	-46.50	300.51	-3.48	-49.98
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043269	0	37	-1.0	-48.08	313.08	-1.91	-49.99
C[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043270	0	37	-1.0	-47.86	302.72	-4.51	-52.37
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043271	0	37	-1.0	-47.86	309.27	-1.60	-49.46
N#CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043272	0	34	-1.0	-55.94	295.82	-2.45	-58.39
C[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043273	0	37	-1.0	-50.81	303.28	-4.49	-55.30
C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL250005043274	0	34	-1.0	-48.36	291.35	-2.78	-51.14
CCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043275	0	35	-1.0	-47.11	300.51	-0.26	-47.37
COCCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043276	0	39	-1.0	-47.16	334.19	-1.19	-48.35
CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043277	0	32	-1.0	-47.51	280.19	-1.08	-48.59
O=C(NC1CC(CNC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005043278	0	36	-1.0	-48.54	311.10	0.47	-48.07
O=C(NC1CC(CNC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005043279	0	39	-1.0	-46.78	327.22	1.01	-45.77
O=C(CC1CC1)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043280	0	39	-1.0	-47.18	331.39	1.28	-45.90
CC(C)(F)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043281	0	38	-1.0	-46.45	326.18	0.46	-45.99
COCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043282	0	36	-1.0	-50.06	313.23	-0.90	-50.96
CCCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043283	0	38	-1.0	-46.92	322.01	0.51	-46.41
CC(C)CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043284	0	41	-1.0	-46.46	338.74	1.09	-45.37
CC1CC1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043285	0	39	-1.0	-46.31	326.94	1.23	-45.08
CCOCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043286	0	39	-1.0	-50.10	335.09	0.06	-50.04
CC(C)=CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043287	0	39	-1.0	-46.49	329.98	1.06	-45.43
CSCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043288	0	36	-1.0	-49.12	323.58	0.17	-48.95
CCCCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043289	0	41	-1.0	-46.90	343.51	1.29	-45.61
CC(C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043290	0	38	-1.0	-46.75	320.06	0.41	-46.34
CCC(C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043291	0	41	-1.0	-46.65	338.18	1.06	-45.59
COC(C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043292	0	39	-1.0	-49.79	333.02	-0.19	-49.98
C=CCCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043293	0	39	-1.0	-46.88	334.82	1.07	-45.81
CC=C(C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043294	0	39	-1.0	-47.27	328.82	1.02	-46.25
CC1(C(=O)NCC2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005043295	0	39	-1.0	-46.76	328.78	1.11	-45.65
C[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043296	0	39	-1.0	-48.48	332.48	1.14	-47.34
CCC(F)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043297	0	38	-1.0	-47.82	328.29	0.54	-47.28
O=C(CCCF)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043298	0	38	-1.0	-49.29	328.60	0.65	-48.64
C[C@H]1C[C@@H]1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043299	0	39	-1.0	-46.91	332.34	1.18	-45.73
NC(=O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043300	0	33	-1.0	-47.79	295.86	-4.93	-52.72
CC(C)(C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043301	0	41	-1.0	-46.60	338.94	0.97	-45.63
C=CCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043302	0	36	-1.0	-47.28	313.42	0.28	-47.00
C[NH+](C)CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043303	0	41	0.0	-69.14	336.10	0.46	-68.68
CN(C)CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043303	1	40	-1.0	-47.46	334.01	-1.93	-49.39
C=CC(O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043304	0	37	-1.0	-47.53	324.52	-1.85	-49.38
O=C(NC1CC(CNC(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005043305	0	37	-1.0	-47.76	317.81	-1.75	-49.51
CO[C@H](C)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043306	0	39	-1.0	-49.73	333.02	-0.20	-49.93
CCC=CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043307	0	39	-1.0	-47.06	335.17	1.11	-45.95
O=C(CO)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043309	0	33	-1.0	-51.60	290.98	-3.18	-54.78
CC(O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043310	0	36	-1.0	-51.07	311.65	-2.41	-53.48
O=C(NC1CC(CNC(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005043311	0	36	-1.0	-46.71	317.83	0.60	-46.11
O=C(CCF)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043312	0	35	-1.0	-46.66	307.10	-0.12	-46.78
O=C(C=CCF)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043313	0	36	-1.0	-48.97	320.27	0.47	-48.50
C#CCCC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043314	0	37	-1.0	-47.28	327.79	1.02	-46.26
O=C(NC1CC(CNC(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005043315	0	37	-1.0	-50.83	319.34	-0.72	-51.55
CC(C)(O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043316	0	39	-1.0	-50.89	330.05	-1.70	-52.59
CC1=CC1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043317	0	37	-1.0	-47.87	326.06	1.22	-46.65
C[C@@H](O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043318	0	36	-1.0	-47.91	311.30	-2.40	-50.31
O=C(C=CCO)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043319	0	37	-1.0	-50.30	325.19	-3.01	-53.31
O=C(NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005043320	0	37	-1.0	-47.82	321.47	1.09	-46.73
CON=CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043321	0	36	-1.0	-50.02	322.97	-1.68	-51.70
O=C(NC1CC(CNC(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005043322	0	36	-1.0	-46.43	317.22	0.52	-45.91
CC=C(F)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043323	0	36	-1.0	-45.79	319.06	0.42	-45.37
CC(CO)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043324	0	39	-1.0	-47.30	330.64	-2.87	-50.17
C[C@H](O)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043325	0	36	-1.0	-47.96	311.27	-2.40	-50.36
C=C1CC1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043326	0	37	-1.0	-47.25	324.59	1.08	-46.17
CC(CF)C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043327	0	38	-1.0	-46.13	326.04	0.55	-45.58
C=C(C)CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043328	0	39	-1.0	-47.07	334.77	0.93	-46.14
CC=CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043329	0	36	-1.0	-47.29	314.09	0.35	-46.94
C[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043330	0	39	-1.0	-48.48	332.48	1.14	-47.34
O=C(NC1CC(CNC(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005043331	0	37	-1.0	-48.16	319.47	-2.61	-50.77
O=C(CC1CC1)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043332	0	39	-1.0	-48.49	331.39	1.27	-47.22
CC(C)(F)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043333	0	38	-1.0	-46.62	326.17	0.44	-46.18
COCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043334	0	36	-1.0	-51.54	313.22	-0.91	-52.45
CCCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043335	0	38	-1.0	-48.26	321.99	0.50	-47.76
CC(C)CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043336	0	41	-1.0	-47.72	338.72	1.08	-46.64
CC1CC1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043337	0	39	-1.0	-48.24	332.41	1.17	-47.07
CCOCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043338	0	39	-1.0	-51.63	335.07	0.05	-51.58
CC(C)=CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043339	0	39	-1.0	-47.55	329.97	1.04	-46.51
CSCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043340	0	36	-1.0	-50.65	323.56	0.16	-50.49
CCCCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043341	0	41	-1.0	-48.26	343.49	1.28	-46.98
CC(C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043342	0	38	-1.0	-48.11	320.05	0.40	-47.71
CCC(C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043343	0	41	-1.0	-47.97	338.17	1.04	-46.93
COC(C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043344	0	39	-1.0	-51.31	333.01	-0.22	-51.53
C=CCCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043345	0	39	-1.0	-48.11	334.80	1.06	-47.05
CC(C#N)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043346	0	36	-1.0	-55.38	319.47	0.02	-55.36
CC=C(C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043347	0	39	-1.0	-48.49	328.81	1.02	-47.47
CCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043348	0	35	-1.0	-48.42	300.50	-0.27	-48.69
COCCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043349	0	39	-1.0	-48.21	334.17	-1.20	-49.41
CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043350	0	32	-1.0	-48.81	280.19	-1.08	-49.89
O=C(NCC1CC(NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005043351	0	36	-1.0	-48.40	311.11	0.46	-47.94
O=C(NCC1CC(NC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005043352	0	39	-1.0	-48.30	327.37	0.95	-47.35
NC(=O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043353	0	33	-1.0	-47.48	295.84	-4.94	-52.42
CC(C)(C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043354	0	41	-1.0	-48.01	338.95	0.97	-47.04
CC1(C(=O)NC2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005043355	0	39	-1.0	-48.05	328.72	1.11	-46.94
C[C@@H]1C[C@H]1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043356	0	39	-1.0	-48.11	332.34	1.17	-46.94
CCC(F)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043357	0	38	-1.0	-48.75	328.42	0.48	-48.27
O=C(CCCF)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043358	0	38	-1.0	-50.85	328.58	0.64	-50.21
C[C@H]1C[C@@H]1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043359	0	39	-1.0	-48.31	332.49	1.12	-47.19
O=C(CO)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043360	0	33	-1.0	-53.17	290.96	-3.19	-56.36
O=C(NCC1CC(NC(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005043361	0	37	-1.0	-52.75	319.48	-0.79	-53.54
O=C(NCC1CC(NC(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005043362	0	37	-1.0	-48.92	318.00	-1.80	-50.72
O=C(C=CCO)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043363	0	37	-1.0	-51.57	325.17	-3.02	-54.59
CCC=CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043364	0	39	-1.0	-48.20	335.15	1.10	-47.10
C#CCCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043365	0	37	-1.0	-48.41	327.77	1.02	-47.39
C=CC(O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043366	0	37	-1.0	-49.13	321.85	-1.69	-50.82
CC(O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043367	0	36	-1.0	-52.68	310.83	-2.39	-55.07
CC(=O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043368	0	34	-1.0	-46.36	303.24	-1.12	-47.48
O=C(NCC1CC(NC(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005043369	0	36	-1.0	-46.59	317.16	0.53	-46.06
CC=C(F)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043370	0	36	-1.0	-46.14	319.04	0.42	-45.72
CC(CO)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043371	0	39	-1.0	-48.27	330.63	-2.89	-51.16
O=C(NCC1CC(NC(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005043372	0	37	-1.0	-48.43	319.42	-2.61	-51.04
O=C(NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005043373	0	37	-1.0	-49.06	321.53	1.09	-47.97
CC(CF)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043374	0	38	-1.0	-47.21	326.02	0.53	-46.68
CC=CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043375	0	36	-1.0	-48.47	314.07	0.34	-48.13
O=C(C=CCF)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043376	0	36	-1.0	-50.16	320.25	0.46	-49.70
C[C@H](O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043378	0	36	-1.0	-49.05	311.38	-2.41	-51.46
CON=CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043379	0	36	-1.0	-51.29	322.95	-1.69	-52.98
C[C@@H]1C[C@H]1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043380	0	39	-1.0	-48.11	332.34	1.17	-46.94
CC(C)(O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043381	0	39	-1.0	-46.84	330.97	-2.84	-49.68
C=C(C)CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043382	0	39	-1.0	-48.38	334.76	0.92	-47.46
C=CCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043383	0	36	-1.0	-48.58	313.41	0.28	-48.30
C[NH+](C)CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043384	0	41	0.0	-70.86	336.08	0.45	-70.41
CN(C)CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043384	1	40	-1.0	-48.65	334.00	-1.93	-50.58
N#CCC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043385	0	33	-1.0	-57.31	299.96	-0.60	-57.91
O=C(NCC1CC(NC(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005043386	0	36	-1.0	-47.21	317.82	0.59	-46.62
O=C(CCF)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043387	0	35	-1.0	-47.80	307.09	-0.13	-47.93
CO[C@H](C)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043388	0	39	-1.0	-51.31	333.04	-0.21	-51.52
C[C@@H](O)C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043389	0	36	-1.0	-49.58	311.44	-2.46	-52.04
C=C1CC1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043390	0	37	-1.0	-48.35	324.57	1.07	-47.28
CC1=CC1C(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043391	0	37	-1.0	-49.08	326.03	1.21	-47.87
C=CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043392	0	33	-1.0	-48.65	292.34	-0.55	-49.20
CCC(=O)N1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@]2(C)C1	REAL250005043393	0	39	-1.0	-47.30	312.24	2.31	-44.99
CC(=O)N1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@]2(C)C1	REAL250005043394	0	36	-1.0	-47.53	289.87	1.47	-46.06
C[C@]12CN(C(=O)CO)C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005043395	0	37	-1.0	-51.86	302.46	-0.52	-52.38
CCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@]2(C)C1	REAL250005043396	0	39	-1.0	-47.31	311.76	2.32	-44.99
CC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@]2(C)C1	REAL250005043397	0	36	-1.0	-47.89	291.28	1.52	-46.37
C[C@@]12CN(C(=O)CO)C[C@@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005043398	0	37	-1.0	-51.99	302.10	-0.55	-52.54
C=CC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@]2(C)C1	REAL250005043399	0	37	-1.0	-47.66	302.43	2.01	-45.65
CCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043400	0	38	-1.0	-47.77	313.91	1.11	-46.66
CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043401	0	35	-1.0	-47.97	293.32	0.30	-47.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)C1CC1	REAL250005043402	0	39	-1.0	-48.83	324.60	1.87	-46.96
COCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043403	0	39	-1.0	-50.64	326.63	0.47	-50.17
CCCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043404	0	41	-1.0	-47.68	336.74	1.83	-45.85
CC(C)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043405	0	41	-1.0	-47.94	332.72	1.75	-46.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)C(N)=O	REAL250005043406	0	36	-1.0	-48.87	309.29	-3.56	-52.43
C=CCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043407	0	39	-1.0	-48.59	326.08	1.64	-46.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)CO	REAL250005043408	0	36	-1.0	-52.29	305.70	-1.85	-54.14
CC(O)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043409	0	39	-1.0	-48.41	324.73	-1.03	-49.44
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)CCF	REAL250005043410	0	38	-1.0	-47.56	321.83	1.21	-46.35
C[C@@H](O)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043411	0	39	-1.0	-49.62	325.01	-1.06	-50.68
C[C@H](O)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043412	0	39	-1.0	-48.68	324.73	-1.03	-49.71
CC=CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043413	0	39	-1.0	-47.77	327.52	1.72	-46.05
COCC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043414	0	39	-1.0	-55.28	329.09	0.71	-54.57
CCCC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043415	0	41	-1.0	-52.35	337.59	2.11	-50.24
CC(C)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043416	0	41	-1.0	-45.96	335.85	1.74	-44.22
CCC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043417	0	38	-1.0	-50.22	316.89	1.23	-48.99
CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043418	0	35	-1.0	-50.29	294.10	0.36	-49.93
C[C@@H]1CN(C(=O)C2CC2)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043419	0	39	-1.0	-50.13	326.51	1.97	-48.16
C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043420	0	36	-1.0	-47.04	309.34	-3.43	-50.47
C[C@@H]1CN(C(=O)CO)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043421	0	36	-1.0	-55.34	308.62	-1.65	-56.99
CC(O)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043422	0	39	-1.0	-50.80	323.28	-1.13	-51.93
CC(=O)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043423	0	37	-1.0	-46.53	316.81	0.34	-46.19
CC=CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043424	0	39	-1.0	-50.40	329.53	1.78	-48.62
C[C@H](O)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043425	0	39	-1.0	-56.88	322.86	-1.07	-57.95
C=CCC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043426	0	39	-1.0	-50.34	331.06	1.78	-48.56
C[C@@H]1CN(C(=O)CC#N)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043427	0	36	-1.0	-58.93	317.61	0.92	-58.01
C[C@@H]1CN(C(=O)CCF)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043428	0	38	-1.0	-50.21	322.96	1.44	-48.77
C[C@@H](O)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043429	0	39	-1.0	-55.71	324.42	-1.11	-56.82
C=CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043430	0	36	-1.0	-50.50	307.76	0.91	-49.59
CCC(=O)NCC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043431	0	41	-1.0	-51.89	334.68	1.76	-50.13
CC(=O)NCC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043432	0	38	-1.0	-52.06	314.08	0.96	-51.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CCNC(=O)CO	REAL250005043433	0	39	-1.0	-57.96	326.03	-1.14	-59.10
CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043434	0	41	-1.0	-51.34	335.47	1.89	-49.45
CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043435	0	38	-1.0	-51.25	314.71	1.06	-50.19
C[C@@H]1CN(C(=O)CO)C[C@H]1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005043436	0	39	-1.0	-56.09	327.41	-0.98	-57.07
C=CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043437	0	39	-1.0	-51.64	326.77	1.57	-50.07
CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043438	0	41	-1.0	-51.34	335.47	1.89	-49.45
CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043439	0	38	-1.0	-51.25	314.71	1.06	-50.19
C[C@@H]1CN(C(=O)CO)C[C@H]1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005043440	0	39	-1.0	-56.09	327.41	-0.98	-57.07
CCC(=O)NCC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043441	0	41	-1.0	-51.89	334.68	1.76	-50.13
CC(=O)NCC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043442	0	38	-1.0	-52.06	314.08	0.96	-51.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CCNC(=O)CO	REAL250005043443	0	39	-1.0	-57.96	326.03	-1.14	-59.10
C=CC(=O)NCC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043444	0	39	-1.0	-53.55	326.35	1.54	-52.01
CCC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043445	0	38	-1.0	-50.22	316.89	1.23	-48.99
CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043446	0	35	-1.0	-50.29	294.10	0.36	-49.93
C[C@@H]1CN(C(=O)C2CC2)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043447	0	39	-1.0	-50.13	326.51	1.97	-48.16
COCC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043448	0	39	-1.0	-55.28	329.09	0.71	-54.57
CCCC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043449	0	41	-1.0	-52.35	337.59	2.11	-50.24
CC(C)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043450	0	41	-1.0	-45.96	335.85	1.74	-44.22
C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043451	0	36	-1.0	-47.04	309.34	-3.43	-50.47
C=CCC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043452	0	39	-1.0	-50.34	331.06	1.78	-48.56
C[C@@H]1CN(C(=O)CO)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043453	0	36	-1.0	-55.34	308.62	-1.65	-56.99
CC(O)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043454	0	39	-1.0	-50.80	323.28	-1.13	-51.93
C[C@@H]1CN(C(=O)CCF)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005043455	0	38	-1.0	-50.21	322.96	1.44	-48.77
C[C@@H](O)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043456	0	39	-1.0	-55.71	324.42	-1.11	-56.82
C[C@H](O)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043457	0	39	-1.0	-56.88	322.86	-1.07	-57.95
CC=CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005043458	0	39	-1.0	-50.40	329.53	1.78	-48.62
COCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043459	0	39	-1.0	-50.64	326.63	0.47	-50.17
CCCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043460	0	41	-1.0	-47.68	336.74	1.83	-45.85
CC(C)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043461	0	41	-1.0	-47.94	332.72	1.75	-46.19
CCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043462	0	38	-1.0	-47.77	313.91	1.11	-46.66
CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043463	0	35	-1.0	-47.97	293.32	0.30	-47.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)C1CC1	REAL250005043464	0	39	-1.0	-48.83	324.60	1.87	-46.96
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)C(N)=O	REAL250005043465	0	36	-1.0	-48.87	309.29	-3.56	-52.43
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)CO	REAL250005043466	0	36	-1.0	-52.29	305.70	-1.85	-54.14
CC(O)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043467	0	39	-1.0	-48.41	324.73	-1.03	-49.44
CC(=O)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043468	0	37	-1.0	-47.42	316.20	0.25	-47.17
CC=CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043469	0	39	-1.0	-47.77	327.52	1.72	-46.05
C[C@H](O)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043470	0	39	-1.0	-48.68	324.73	-1.03	-49.71
C=CCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043471	0	39	-1.0	-48.59	326.08	1.64	-46.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)CC#N	REAL250005043472	0	36	-1.0	-56.29	314.70	0.74	-55.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)CCF	REAL250005043473	0	38	-1.0	-47.56	321.83	1.21	-46.35
C[C@@H](O)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043474	0	39	-1.0	-49.62	325.01	-1.06	-50.68
C=CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005043475	0	36	-1.0	-47.94	305.79	0.83	-47.11
CC(=O)NC[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005043476	0	39	-1.0	-53.29	309.54	1.53	-51.76
CC(=O)N1CC[C@@]2(CNC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL250005043477	0	39	-1.0	-49.00	312.73	1.67	-47.33
CCC(=O)NCC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005043478	0	39	-1.0	-46.16	312.67	-0.13	-46.29
CC(=O)NCC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005043479	0	36	-1.0	-46.40	292.08	-0.93	-47.33
CC1(CNC(=O)CO)CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005043480	0	37	-1.0	-50.62	303.14	-3.05	-53.67
CCC(=O)N1CCOC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043481	0	39	-1.0	-48.42	315.79	0.12	-48.30
CC(=O)N1CCOC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043482	0	36	-1.0	-48.71	295.52	-0.65	-49.36
CC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CO)CCO1	REAL250005043483	0	37	-1.0	-53.00	306.26	-2.77	-55.77
C=CC(=O)N1CCOC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043484	0	37	-1.0	-47.80	306.57	-0.18	-47.98
CCC(=O)N1CC2CC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043485	0	39	-1.0	-46.26	292.81	3.24	-43.02
CC(=O)N1CC2CC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043486	0	36	-1.0	-54.80	291.17	1.24	-53.56
O=C(CO)N1CC2CC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043487	0	37	-1.0	-48.92	283.31	0.35	-48.57
CCC(=O)NC1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005043488	0	39	-1.0	-62.16	309.83	1.94	-60.22
CC(=O)NC1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005043489	0	36	-1.0	-44.94	271.75	2.42	-42.52
O=C(CO)NC1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005043490	0	37	-1.0	-46.33	283.52	0.32	-46.01
C=CC(=O)NC1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005043491	0	37	-1.0	-62.08	301.78	1.65	-60.43
CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043492	0	36	-1.0	-54.67	293.56	1.96	-52.71
CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043493	0	33	-1.0	-54.96	273.15	1.15	-53.81
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005043494	0	37	-1.0	-54.08	304.11	2.71	-51.37
COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043495	0	37	-1.0	-58.06	306.64	1.31	-56.75
CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043496	0	39	-1.0	-54.53	315.23	2.73	-51.80
CC(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043497	0	39	-1.0	-54.11	313.16	2.61	-51.50
NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043498	0	34	-1.0	-49.74	289.42	-2.70	-52.44
C=CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043499	0	37	-1.0	-54.92	306.83	2.50	-52.42
O=C(CO)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043500	0	34	-1.0	-59.84	284.06	-0.98	-60.82
CC(O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043501	0	37	-1.0	-59.21	304.68	-0.21	-59.42
O=C(CCF)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043502	0	36	-1.0	-53.51	300.13	2.11	-51.40
C[C@@H](O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043503	0	37	-1.0	-59.28	304.83	-0.19	-59.47
C[C@H](O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043504	0	37	-1.0	-59.25	304.82	-0.19	-59.44
CC=CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043505	0	37	-1.0	-54.48	307.64	2.58	-51.90
COCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043506	0	37	-1.0	-56.86	309.92	1.52	-55.34
CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043507	0	39	-1.0	-53.34	318.74	2.88	-50.46
CC(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043508	0	39	-1.0	-53.06	312.52	2.50	-50.56
CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043509	0	36	-1.0	-53.70	297.57	2.11	-51.59
CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043510	0	33	-1.0	-53.83	275.80	1.25	-52.58
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005043511	0	37	-1.0	-53.31	306.96	2.83	-50.48
NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043512	0	34	-1.0	-47.31	288.95	-2.62	-49.93
O=C(CO)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043513	0	34	-1.0	-58.52	287.52	-0.77	-59.29
CC(O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043514	0	37	-1.0	-53.73	303.90	-0.27	-54.00
CC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043515	0	35	-1.0	-47.36	295.45	1.17	-46.19
CC=CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043516	0	37	-1.0	-53.55	309.34	2.66	-50.89
C[C@H](O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043517	0	37	-1.0	-53.38	304.04	-0.27	-53.65
C=CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043518	0	37	-1.0	-53.16	309.98	2.64	-50.52
N#CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043519	0	34	-1.0	-62.46	296.51	1.79	-60.67
O=C(CCF)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043520	0	36	-1.0	-51.47	303.81	2.26	-49.21
C[C@@H](O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043521	0	37	-1.0	-53.93	303.92	-0.23	-54.16
C=CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043522	0	34	-1.0	-53.38	287.44	1.77	-51.61
CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043523	0	36	-1.0	-46.23	296.59	1.35	-44.88
CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043524	0	33	-1.0	-46.71	276.22	0.53	-46.18
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005043525	0	37	-1.0	-46.30	307.27	2.14	-44.16
COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043526	0	37	-1.0	-48.46	309.55	0.68	-47.78
CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043527	0	39	-1.0	-46.13	318.01	2.09	-44.04
CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043528	0	39	-1.0	-45.81	315.97	2.02	-43.79
NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043529	0	34	-1.0	-50.23	292.12	-3.29	-53.52
C=CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043530	0	37	-1.0	-46.10	309.60	1.89	-44.21
O=C(CO)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043531	0	34	-1.0	-49.79	286.90	-1.57	-51.36
CC(O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043532	0	37	-1.0	-47.28	307.34	-0.80	-48.08
O=C(CCF)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043533	0	36	-1.0	-46.18	303.10	1.46	-44.72
C[C@@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043534	0	37	-1.0	-46.99	307.26	-0.79	-47.78
C[C@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043535	0	37	-1.0	-46.33	307.31	-0.80	-47.13
CC=CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL250005043536	0	37	-1.0	-46.64	310.14	1.96	-44.68
COCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043537	0	37	-1.0	-52.77	313.00	0.89	-51.88
CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043538	0	39	-1.0	-49.40	321.47	2.27	-47.13
CC(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043539	0	39	-1.0	-49.41	315.36	1.88	-47.53
CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043540	0	36	-1.0	-49.41	300.13	1.48	-47.93
CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043541	0	33	-1.0	-49.60	279.86	0.67	-48.93
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005043542	0	37	-1.0	-49.47	310.05	2.23	-47.24
NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043543	0	34	-1.0	-47.11	292.06	-3.24	-50.35
O=C(CO)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043544	0	34	-1.0	-54.31	290.57	-1.39	-55.70
CC(O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043545	0	37	-1.0	-49.42	306.78	-0.86	-50.28
CC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043546	0	35	-1.0	-46.31	299.60	0.55	-45.76
CC=CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043547	0	37	-1.0	-49.75	312.23	2.03	-47.72
C[C@H](O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043548	0	37	-1.0	-54.18	306.12	-0.89	-55.07
C=CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043549	0	37	-1.0	-49.22	313.32	1.99	-47.23
N#CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043550	0	34	-1.0	-57.95	299.56	1.18	-56.77
O=C(CCF)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043551	0	36	-1.0	-48.22	306.55	1.63	-46.59
C[C@@H](O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043552	0	37	-1.0	-51.17	307.04	-0.87	-52.04
C=CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043553	0	34	-1.0	-49.73	290.54	1.15	-48.58
CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005043554	0	39	-1.0	-51.33	309.26	1.31	-50.02
CC(=O)N[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005043555	0	36	-1.0	-51.50	289.10	0.49	-51.01
O=C(CO)N[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005043556	0	37	-1.0	-52.50	298.10	-1.73	-54.23
CCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043557	0	39	-1.0	-55.67	310.68	1.46	-54.21
CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043558	0	36	-1.0	-53.43	291.30	0.62	-52.81
O=C(CO)N1C[C@@H]2CCC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043559	0	37	-1.0	-58.56	302.80	-1.44	-60.00
C=CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043560	0	37	-1.0	-53.45	303.05	1.13	-52.32
CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043561	0	39	-1.0	-52.54	312.57	1.66	-50.88
CC(=O)NC[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005043562	0	39	-1.0	-48.81	311.70	1.82	-46.99
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043563	0	32	-1.0	-47.58	262.24	1.14	-46.44
COCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043564	0	36	-1.0	-46.65	295.90	0.21	-46.44
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC2)CC1	REAL250005043565	0	33	-1.0	-47.08	272.18	1.87	-45.21
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC2)CC1	REAL250005043566	0	36	-1.0	-44.30	287.60	2.24	-42.06
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC2)CC1	REAL250005043567	0	39	-1.0	-43.98	302.83	2.76	-41.22
O=C(CC1CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043568	0	36	-1.0	-44.74	293.14	2.66	-42.08
CC(C)(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043569	0	35	-1.0	-42.79	282.48	1.43	-41.36
CC(F)(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043570	0	32	-1.0	-42.65	271.38	1.08	-41.57
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043571	0	33	-1.0	-50.21	274.96	0.53	-49.68
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043572	0	35	-1.0	-47.28	283.73	1.91	-45.37
O=C(C1=CC=CO1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043573	0	33	-1.0	-46.57	278.60	1.26	-45.31
CC(=O)NCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043574	0	36	-1.0	-48.13	300.61	-1.23	-49.36
CC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043575	0	38	-1.0	-46.90	300.45	2.50	-44.40
CC1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043576	0	36	-1.0	-46.55	287.94	2.58	-43.97
CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043577	0	36	-1.0	-50.25	296.81	1.49	-48.76
CC(C)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043578	0	36	-1.0	-44.11	290.69	2.39	-41.72
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCO2)CC1	REAL250005043579	0	37	-1.0	-47.03	294.42	1.34	-45.69
CSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043580	0	33	-1.0	-49.39	285.30	1.61	-47.78
CSCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043581	0	36	-1.0	-46.27	306.96	2.38	-43.89
CC(C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043582	0	41	-1.0	-47.16	322.79	3.21	-43.95
O=C(C1=CC=CN1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043583	0	34	-1.0	-47.91	282.36	1.38	-46.53
O=C(C1=COC=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043584	0	33	-1.0	-46.23	279.84	1.23	-45.00
CCCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043585	0	41	-1.0	-47.30	326.73	3.47	-43.83
CC(C)(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043586	0	41	-1.0	-46.13	315.42	3.03	-43.10
CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043587	0	38	-1.0	-47.38	305.23	2.69	-44.69
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043588	0	35	-1.0	-44.01	279.89	1.48	-42.53
CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043589	0	38	-1.0	-46.23	298.60	2.23	-44.00
CCC(CC)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043590	0	41	-1.0	-46.80	312.79	2.60	-44.20
O=C(C1=NNC=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043591	0	33	-1.0	-49.29	276.90	0.01	-49.28
O=C(C1=CC=NN1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043591	1	33	-1.0	-44.51	277.83	-0.11	-44.62
CSC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043592	0	36	-1.0	-45.68	301.58	1.94	-43.74
CCOC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043593	0	39	-1.0	-46.46	311.83	1.79	-44.67
O=C(C1=CNN=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043594	0	33	-1.0	-46.79	275.96	-0.48	-47.27
COCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043595	0	39	-1.0	-50.03	317.40	0.98	-49.05
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NOC=C2)CC1	REAL250005043596	0	32	-1.0	-47.13	273.10	0.85	-46.28
CCC=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043597	0	39	-1.0	-46.17	315.93	2.91	-43.26
COC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043598	0	36	-1.0	-46.49	289.98	0.84	-45.65
CC(C)OCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043599	0	39	-1.0	-50.06	317.09	2.23	-47.83
CCCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043600	0	39	-1.0	-50.01	318.31	2.29	-47.72
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCOC2)CC1	REAL250005043601	0	37	-1.0	-44.62	295.68	0.23	-44.39
CCC(OC)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043602	0	39	-1.0	-45.23	311.92	1.69	-43.54
COC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043603	0	39	-1.0	-48.78	315.05	1.72	-47.06
C=CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043604	0	36	-1.0	-47.16	296.54	2.47	-44.69
CCOCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043605	0	39	-1.0	-46.54	317.76	1.18	-45.36
COCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043606	0	39	-1.0	-45.42	313.11	0.68	-44.74
C=CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043607	0	37	-1.0	-50.61	309.71	2.06	-48.55
O=C(C1=COC=N1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043608	0	32	-1.0	-46.64	273.40	-1.13	-47.77
CCCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043609	0	41	-1.0	-46.21	320.37	3.01	-43.20
O=C(CCC1CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043610	0	39	-1.0	-44.51	315.05	3.35	-41.16
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC=CC2)CC1	REAL250005043611	0	37	-1.0	-43.96	294.27	2.71	-41.25
O=C(CC1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043612	0	39	-1.0	-47.49	310.04	3.21	-44.28
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005043613	0	39	-1.0	-43.96	310.77	3.03	-40.93
CC=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043614	0	36	-1.0	-46.55	294.94	2.14	-44.41
CC1CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005043615	0	39	-1.0	-46.62	307.83	2.84	-43.78
O=C(C=C1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043616	0	37	-1.0	-44.60	300.36	3.01	-41.59
CC(C)=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043617	0	36	-1.0	-43.94	296.08	2.32	-41.62
O=C(C1=CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043618	0	37	-1.0	-44.56	293.14	2.58	-41.98
CC1(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043619	0	39	-1.0	-43.70	308.34	2.96	-40.74
CC1(C)C[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043620	0	39	-1.0	-43.79	308.61	3.06	-40.73
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	REAL250005043621	0	37	-1.0	-47.02	294.55	1.37	-45.65
CCC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043622	0	41	-1.0	-46.90	318.69	3.17	-43.73
C#CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043623	0	37	-1.0	-50.30	311.01	3.21	-47.09
CC(C)(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043624	0	39	-1.0	-50.27	309.21	0.23	-50.04
CC(C)[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043625	0	39	-1.0	-46.56	305.12	0.20	-46.36
CCC(C)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043626	0	39	-1.0	-46.01	312.20	3.10	-42.91
CC(C)C#CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043627	0	37	-1.0	-46.14	312.27	3.16	-42.98
O=C(C#CC1CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043628	0	35	-1.0	-44.57	301.93	3.33	-41.24
C=C(C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043629	0	39	-1.0	-46.65	318.19	3.14	-43.51
CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043630	0	36	-1.0	-43.96	287.27	1.99	-41.97
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@H]2CCCO2)CC1	REAL250005043631	0	37	-1.0	-50.43	295.07	1.52	-48.91
O=C(C1=NNN=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043632	0	32	-1.0	-44.10	272.01	-1.35	-45.45
CC1(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043633	0	39	-1.0	-44.17	311.48	3.15	-41.02
O=C(C1=CN=CO1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043634	0	32	-1.0	-47.09	273.40	-2.00	-49.09
C=CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043635	0	39	-1.0	-43.41	300.97	2.15	-41.26
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043636	0	36	-1.0	-46.97	293.05	2.41	-44.56
CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005043637	0	39	-1.0	-43.83	300.53	2.37	-41.46
CCC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043638	0	35	-1.0	-44.04	288.56	1.78	-42.26
O=C(CCCF)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043639	0	35	-1.0	-50.29	290.32	2.05	-48.24
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043640	0	36	-1.0	-44.27	293.10	2.42	-41.85
CC(C)C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043641	0	38	-1.0	-46.11	302.77	2.38	-43.73
C=CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043642	0	39	-1.0	-47.78	318.04	3.25	-44.53
CCC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043643	0	41	-1.0	-43.77	305.37	2.22	-41.55
NC(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043644	0	30	-1.0	-44.32	254.39	-3.86	-48.18
CC1CC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043645	0	39	-1.0	-47.47	314.55	3.36	-44.11
CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043646	0	39	-1.0	-43.86	311.93	2.77	-41.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(CF)CC2)CC1	REAL250005043647	0	36	-1.0	-45.37	294.09	2.09	-43.28
CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043648	0	38	-1.0	-43.88	290.94	1.74	-42.14
CC(C)C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043649	0	41	-1.0	-46.56	316.34	2.73	-43.83
CC[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043650	0	39	-1.0	-44.31	314.95	3.30	-41.01
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC23CC3)CC1	REAL250005043651	0	37	-1.0	-47.22	304.59	3.32	-43.90
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@@H]2CC(=O)N2)CC1	REAL250005043652	0	34	-1.0	-54.61	286.56	-2.27	-56.88
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@H]2CC(=O)N2)CC1	REAL250005043653	0	34	-1.0	-54.73	286.08	-2.38	-57.11
COC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043654	0	37	-1.0	-42.93	304.24	0.71	-42.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CSC2)CC1	REAL250005043655	0	34	-1.0	-50.29	283.34	1.78	-48.51
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043656	0	33	-1.0	-47.51	275.14	1.68	-45.83
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043657	0	38	0.0	-73.56	297.82	1.81	-71.75
CN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043657	1	37	-1.0	-47.60	295.73	-0.58	-48.18
C=CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043658	0	34	-1.0	-46.90	280.60	-0.68	-47.58
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2COC2)CC1	REAL250005043659	0	34	-1.0	-47.43	279.02	-0.40	-47.83
CO[C@H](C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043660	0	36	-1.0	-49.66	290.60	0.89	-48.77
CC=CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043661	0	37	-1.0	-46.64	301.13	0.35	-46.29
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043662	0	41	0.0	-66.09	313.98	2.21	-63.88
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005043662	1	40	-1.0	-47.03	304.32	-0.58	-47.61
CCC=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043663	0	36	-1.0	-43.03	297.60	2.33	-40.70
CCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043664	0	36	-1.0	-47.02	295.51	2.34	-44.68
CC(C)(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043666	0	39	-1.0	-43.94	300.20	-1.54	-45.48
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(F)CCC2)CC1	REAL250005043667	0	36	-1.0	-44.51	291.82	2.25	-42.26
O=C(CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043668	0	30	-1.0	-52.14	252.70	-1.75	-53.89
NC(=O)C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043669	0	34	-1.0	-48.66	290.81	-2.39	-51.05
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043670	0	33	-1.0	-44.79	267.82	-1.37	-46.16
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(O)CCC2)CC1	REAL250005043671	0	37	-1.0	-43.62	296.57	-1.08	-44.70
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C(O)C2CC2)CC1	REAL250005043672	0	37	-1.0	-43.82	297.56	0.07	-43.75
C=CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043673	0	39	-1.0	-46.23	312.94	2.82	-43.41
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC2F)CC1	REAL250005043674	0	33	-1.0	-48.24	276.55	1.84	-46.40
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043675	0	41	0.0	-66.09	313.98	2.21	-63.88
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005043675	1	40	-1.0	-47.03	304.32	-0.58	-47.61
O=C(CCF)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043676	0	32	-1.0	-46.41	268.83	1.28	-45.13
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(O)COC2)CC1	REAL250005043677	0	35	-1.0	-47.66	285.16	-3.08	-50.74
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)=C1CC1	REAL250005043678	0	37	-1.0	-44.08	308.65	3.07	-41.01
CCC1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043679	0	39	-1.0	-46.58	309.34	3.31	-43.27
O=C(CC1(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043680	0	37	-1.0	-48.05	304.05	-0.87	-48.92
O=C(C=CCF)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043681	0	33	-1.0	-49.18	280.60	1.70	-47.48
C#CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043682	0	34	-1.0	-47.09	289.51	2.43	-44.66
O=C(CN1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043683	0	38	-1.0	-45.71	303.27	-1.12	-46.83
O=C(C[NH+]1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043683	1	39	0.0	-68.60	307.84	2.15	-66.45
C#C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043684	0	35	-1.0	-50.31	294.56	2.90	-47.41
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C3CCC32)CC1	REAL250005043685	0	37	-1.0	-44.58	294.69	3.17	-41.41
C=C1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043686	0	37	-1.0	-43.30	299.87	2.68	-40.62
C[C@H]1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[C@H]1C	REAL250005043687	0	39	-1.0	-43.46	302.38	3.02	-40.44
C[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043688	0	41	0.0	-65.64	313.31	2.03	-63.61
C[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005043688	1	40	-1.0	-44.53	311.30	-0.30	-44.83
CC=CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043689	0	37	-1.0	-44.70	309.56	3.02	-41.68
COCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043690	0	37	-1.0	-49.01	307.77	0.62	-48.39
CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)COC1	REAL250005043691	0	37	-1.0	-46.45	293.70	-0.13	-46.58
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCO2)CC1	REAL250005043692	0	34	-1.0	-46.73	276.11	0.32	-46.41
[N-]=[N+]=NCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043693	0	34	-1.0	-46.57	292.37	-2.24	-48.81
C#CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043694	0	35	-1.0	-53.20	302.59	2.02	-51.18
CC(C)(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043695	0	36	-1.0	-47.61	282.08	-0.96	-48.57
CC1=CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043696	0	34	-1.0	-45.13	286.92	2.44	-42.69
CN(C)C(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043697	0	36	-1.0	-46.57	299.84	-0.36	-46.93
CSC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043698	0	34	-1.0	-44.51	296.42	1.91	-42.60
CCC(C)(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043699	0	39	-1.0	-43.40	302.38	-0.89	-44.29
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043700	0	41	0.0	-68.27	315.25	2.36	-65.91
CC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043700	1	41	0.0	-68.27	315.25	2.36	-65.91
CCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043700	1	40	-1.0	-47.54	313.71	0.21	-47.33
C=C1CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005043701	0	37	-1.0	-47.97	301.65	2.87	-45.10
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC2F)CC1	REAL250005043702	0	36	-1.0	-43.87	293.12	2.28	-41.59
O=C(C1=CNC=N1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043703	0	33	-1.0	-49.10	277.28	1.43	-47.67
O=C(C1=CN=CN1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043703	1	33	-1.0	-46.64	277.86	1.09	-45.55
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(Cl)CC2)CC1	REAL250005043704	0	33	-1.0	-43.35	284.98	2.06	-41.29
O=C(C1=CCCO1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043705	0	35	-1.0	-44.17	287.31	1.08	-43.09
CCC[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043706	0	39	-1.0	-46.58	311.92	0.29	-46.29
CC(C)[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043707	0	39	-1.0	-43.70	300.19	0.07	-43.63
CCOC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043708	0	37	-1.0	-46.43	307.47	1.21	-45.22
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043709	0	33	-1.0	-44.90	268.26	-1.37	-46.27
O=C(CCCCF)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043710	0	38	-1.0	-47.96	311.82	2.83	-45.13
O=C(C=CCO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043711	0	34	-1.0	-50.45	285.52	-1.78	-52.23
COC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043712	0	39	-1.0	-43.82	302.37	0.67	-43.15
O=C(CCCCO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043713	0	39	-1.0	-48.65	316.65	-0.64	-49.29
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(CO)CC2)CC1	REAL250005043714	0	37	-1.0	-47.39	301.68	-1.23	-48.62
COC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043715	0	33	-1.0	-46.34	279.07	-0.18	-46.52
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC2CC3)CC1	REAL250005043716	0	37	-1.0	-44.20	298.47	2.84	-41.36
C=C[C@H](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043717	0	39	-1.0	-44.00	312.94	2.91	-41.09
O=C(C=CC1CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043718	0	37	-1.0	-44.38	306.74	3.28	-41.10
CC=C(CC)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043719	0	39	-1.0	-44.04	315.11	2.88	-41.16
C=CC(C)(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043720	0	37	-1.0	-43.59	297.51	-0.67	-44.26
O=C(C1=CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043721	0	34	-1.0	-45.18	277.81	2.12	-43.06
CON=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043722	0	33	-1.0	-48.50	283.30	-0.46	-48.96
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(F)CC2)CC1	REAL250005043723	0	33	-1.0	-43.38	276.39	1.73	-41.65
O=C(COCCO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043724	0	37	-1.0	-53.40	308.18	-1.64	-55.04
CC(C)(CF)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043725	0	38	-1.0	-42.80	295.83	1.82	-40.98
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NOCC2)CC1	REAL250005043726	0	34	-1.0	-44.65	282.83	0.07	-44.58
COCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043727	0	37	-1.0	-44.89	302.48	-2.07	-46.96
C#CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043728	0	37	-1.0	-43.16	300.36	2.30	-40.86
O=C(COC1CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043729	0	37	-1.0	-47.79	306.86	2.14	-45.65
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC=CN2)CC1	REAL250005043730	0	33	-1.0	-47.44	277.23	0.57	-46.87
CCCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043731	0	39	-1.0	-46.84	317.01	3.12	-43.72
CC=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043732	0	33	-1.0	-43.35	277.30	1.58	-41.77
CCC(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043733	0	39	-1.0	-50.43	306.60	-1.15	-51.58
CC(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043734	0	36	-1.0	-46.47	290.86	-1.72	-48.19
O=C(C1=CON=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043735	0	32	-1.0	-45.97	274.08	0.73	-45.24
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@@H]2C[C@H]2CF)CC1	REAL250005043736	0	36	-1.0	-46.33	299.84	2.56	-43.77
C#CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043737	0	35	-1.0	-44.31	297.67	2.72	-41.59
O=C(C1=COCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043738	0	35	-1.0	-48.29	282.86	0.58	-47.71
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043739	0	33	-1.0	-45.11	268.54	-1.26	-46.37
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C=CCC2)CC1	REAL250005043740	0	37	-1.0	-43.86	293.53	2.56	-41.30
CC(O)C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043741	0	39	-1.0	-47.03	308.85	-0.93	-47.96
C=C1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043742	0	34	-1.0	-46.78	285.60	2.44	-44.34
CC(CF)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043743	0	35	-1.0	-45.77	285.94	1.68	-44.09
C=C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043744	0	36	-1.0	-47.20	296.50	2.32	-44.88
CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043745	0	36	-1.0	-49.27	306.76	2.51	-46.76
CC(C)=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043746	0	39	-1.0	-46.79	313.19	2.71	-44.08
CCCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043747	0	39	-1.0	-46.76	310.80	0.33	-46.43
CCC(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043748	0	39	-1.0	-50.96	314.41	0.27	-50.69
CC(Cl)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043749	0	33	-1.0	-45.64	286.73	2.10	-43.54
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043750	0	33	-1.0	-47.20	274.42	1.59	-45.61
CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1F	REAL250005043751	0	36	-1.0	-47.65	293.36	2.24	-45.41
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@H]2C[C@@H](O)C2)CC1	REAL250005043752	0	37	-1.0	-47.52	299.50	-1.18	-48.70
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043753	0	36	-1.0	-46.97	293.05	2.41	-44.56
CNC(=O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043754	0	36	-1.0	-59.29	298.32	0.16	-59.13
C=CC=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043755	0	37	-1.0	-47.98	310.39	3.11	-44.87
NC(=O)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043756	0	36	-1.0	-48.68	299.91	-2.03	-50.71
CC(O)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043757	0	39	-1.0	-48.45	315.57	-0.60	-49.05
C#CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043758	0	37	-1.0	-46.13	305.91	2.78	-43.35
CC(CCO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043759	0	39	-1.0	-48.92	310.29	-1.10	-50.02
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@H](O)CF)CC1	REAL250005043760	0	33	-1.0	-47.45	275.11	-1.11	-48.56
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(O)CC2)CC1	REAL250005043761	0	34	-1.0	-43.98	281.48	-1.39	-45.37
O=C(CC1CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043762	0	36	-1.0	-44.74	293.14	2.66	-42.08
CC(C)(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043763	0	35	-1.0	-42.79	282.48	1.43	-41.36
CC(F)(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043764	0	32	-1.0	-42.65	271.38	1.08	-41.57
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043765	0	33	-1.0	-50.21	274.96	0.53	-49.68
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043766	0	35	-1.0	-47.28	283.73	1.91	-45.37
O=C(C1=CC=CO1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043767	0	33	-1.0	-46.57	278.60	1.26	-45.31
CC(=O)NCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043768	0	36	-1.0	-48.13	300.61	-1.23	-49.36
CC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043769	0	38	-1.0	-46.90	300.45	2.50	-44.40
CC1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043770	0	36	-1.0	-46.55	287.94	2.58	-43.97
CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043771	0	36	-1.0	-50.25	296.81	1.49	-48.76
CC(C)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043772	0	36	-1.0	-44.11	290.69	2.39	-41.72
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCO2)CC1	REAL250005043773	0	37	-1.0	-47.03	294.42	1.34	-45.69
CSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043774	0	33	-1.0	-49.39	285.30	1.61	-47.78
CSCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043775	0	36	-1.0	-46.27	306.96	2.38	-43.89
CC(C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043776	0	41	-1.0	-47.16	322.79	3.21	-43.95
O=C(C1=CC=CN1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043777	0	34	-1.0	-47.91	282.36	1.38	-46.53
O=C(C1=COC=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043778	0	33	-1.0	-46.23	279.84	1.23	-45.00
CCCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043779	0	41	-1.0	-47.30	326.73	3.47	-43.83
CC(C)(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043780	0	41	-1.0	-46.13	315.42	3.03	-43.10
CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043781	0	38	-1.0	-47.38	305.23	2.69	-44.69
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043782	0	35	-1.0	-44.01	279.89	1.48	-42.53
CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043783	0	38	-1.0	-46.23	298.60	2.23	-44.00
CCC(CC)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043784	0	41	-1.0	-46.80	312.79	2.60	-44.20
O=C(C1=NNC=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043785	0	33	-1.0	-49.29	276.90	0.01	-49.28
O=C(C1=CC=NN1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043785	1	33	-1.0	-44.51	277.83	-0.11	-44.62
CSC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043786	0	36	-1.0	-45.68	301.58	1.94	-43.74
CCOC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043787	0	39	-1.0	-46.46	311.83	1.79	-44.67
O=C(C1=CNN=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043788	0	33	-1.0	-46.79	275.96	-0.48	-47.27
COCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043789	0	39	-1.0	-50.03	317.40	0.98	-49.05
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NOC=C2)CC1	REAL250005043790	0	32	-1.0	-47.13	273.10	0.85	-46.28
CCC=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043791	0	39	-1.0	-46.17	315.93	2.91	-43.26
COC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043792	0	36	-1.0	-46.49	289.98	0.84	-45.65
CC(C)OCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043793	0	39	-1.0	-50.06	317.09	2.23	-47.83
CCCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043794	0	39	-1.0	-50.01	318.31	2.29	-47.72
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCOC2)CC1	REAL250005043795	0	37	-1.0	-44.62	295.68	0.23	-44.39
CCC(OC)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043796	0	39	-1.0	-45.23	311.92	1.69	-43.54
COC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043797	0	39	-1.0	-48.78	315.05	1.72	-47.06
C=CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043798	0	36	-1.0	-47.16	296.54	2.47	-44.69
CCOCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043799	0	39	-1.0	-46.54	317.76	1.18	-45.36
COCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043800	0	39	-1.0	-45.42	313.11	0.68	-44.74
C=CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043801	0	37	-1.0	-50.61	309.71	2.06	-48.55
O=C(C1=COC=N1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043802	0	32	-1.0	-46.64	273.40	-1.13	-47.77
CC(C#N)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043803	0	33	-1.0	-49.75	279.76	1.11	-48.64
CCCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043804	0	41	-1.0	-46.21	320.37	3.01	-43.20
O=C(CCC1CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043805	0	39	-1.0	-44.51	315.05	3.35	-41.16
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC=CC2)CC1	REAL250005043806	0	37	-1.0	-43.96	294.27	2.71	-41.25
O=C(CC1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043807	0	39	-1.0	-47.49	310.04	3.21	-44.28
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005043808	0	39	-1.0	-43.96	310.77	3.03	-40.93
CC=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043809	0	36	-1.0	-46.55	294.94	2.14	-44.41
CC1CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005043810	0	39	-1.0	-46.62	307.83	2.84	-43.78
O=C(C=C1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043811	0	37	-1.0	-44.60	300.36	3.01	-41.59
CC(C)=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043812	0	36	-1.0	-43.94	296.08	2.32	-41.62
O=C(C1=CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043813	0	37	-1.0	-44.56	293.14	2.58	-41.98
CC1(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043814	0	39	-1.0	-43.70	308.34	2.96	-40.74
CC1(C)C[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043815	0	39	-1.0	-43.79	308.61	3.06	-40.73
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	REAL250005043816	0	37	-1.0	-47.02	294.55	1.37	-45.65
CCC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043817	0	41	-1.0	-46.90	318.69	3.17	-43.73
C#CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043818	0	37	-1.0	-50.30	311.01	3.21	-47.09
CC(C)(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043819	0	39	-1.0	-50.27	309.21	0.23	-50.04
CC(C)[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043820	0	39	-1.0	-46.56	305.12	0.20	-46.36
CCC(C)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043821	0	39	-1.0	-46.01	312.20	3.10	-42.91
CC(C)C#CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043822	0	37	-1.0	-46.14	312.27	3.16	-42.98
O=C(C#CC1CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043823	0	35	-1.0	-44.57	301.93	3.33	-41.24
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043824	0	32	-1.0	-47.58	262.24	1.14	-46.44
COCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043825	0	36	-1.0	-46.65	295.90	0.21	-46.44
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC2)CC1	REAL250005043826	0	33	-1.0	-47.08	272.18	1.87	-45.21
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC2)CC1	REAL250005043827	0	36	-1.0	-44.30	287.60	2.24	-42.06
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC2)CC1	REAL250005043828	0	39	-1.0	-43.98	302.83	2.76	-41.22
C=CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043829	0	39	-1.0	-47.78	318.04	3.25	-44.53
CCC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043830	0	41	-1.0	-43.77	305.37	2.22	-41.55
NC(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043831	0	30	-1.0	-44.32	254.39	-3.86	-48.18
CC1CC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043832	0	39	-1.0	-47.47	314.55	3.36	-44.11
CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043833	0	39	-1.0	-43.86	311.93	2.77	-41.09
CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043834	0	38	-1.0	-43.88	290.94	1.74	-42.14
C=C(C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043835	0	39	-1.0	-46.65	318.19	3.14	-43.51
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(CF)CC2)CC1	REAL250005043836	0	36	-1.0	-45.37	294.09	2.09	-43.28
CC(C)C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043837	0	41	-1.0	-46.56	316.34	2.73	-43.83
CC[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043838	0	39	-1.0	-44.31	314.95	3.30	-41.01
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC23CC3)CC1	REAL250005043839	0	37	-1.0	-47.22	304.59	3.32	-43.90
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@H]2CCCO2)CC1	REAL250005043840	0	37	-1.0	-50.43	295.07	1.52	-48.91
CC1(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043841	0	39	-1.0	-44.17	311.48	3.15	-41.02
CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043842	0	36	-1.0	-43.96	287.27	1.99	-41.97
O=C(C1=CNC=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043843	0	34	-1.0	-46.88	282.17	0.94	-45.94
O=C(C1=CN=CO1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043844	0	32	-1.0	-47.09	273.40	-2.00	-49.09
C=CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043845	0	39	-1.0	-43.41	300.97	2.15	-41.26
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043846	0	36	-1.0	-46.97	293.05	2.41	-44.56
CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005043847	0	39	-1.0	-43.83	300.53	2.37	-41.46
CCC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043848	0	35	-1.0	-44.04	288.56	1.78	-42.26
O=C(CCCF)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043849	0	35	-1.0	-50.29	290.32	2.05	-48.24
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043850	0	36	-1.0	-44.27	293.10	2.42	-41.85
CC(C)C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043851	0	38	-1.0	-46.11	302.77	2.38	-43.73
O=C(C1=NNN=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043852	0	32	-1.0	-44.10	272.01	-1.35	-45.45
O=C(CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043853	0	30	-1.0	-52.14	252.70	-1.75	-53.89
NC(=O)C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043854	0	34	-1.0	-48.66	290.81	-2.39	-51.05
COC(=O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043855	0	35	-1.0	-55.19	294.18	2.09	-53.10
CSC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043856	0	34	-1.0	-44.51	296.42	1.91	-42.60
NC(=O)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043857	0	36	-1.0	-48.68	299.91	-2.03	-50.71
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCO2)CC1	REAL250005043858	0	34	-1.0	-46.73	276.11	0.32	-46.41
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(Cl)CC2)CC1	REAL250005043859	0	33	-1.0	-43.35	284.98	2.06	-41.29
O=C(C1=CCCO1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043860	0	35	-1.0	-44.17	287.31	1.08	-43.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2COC2)CC1	REAL250005043861	0	34	-1.0	-47.43	279.02	-0.40	-47.83
O=C(C=CCO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043862	0	34	-1.0	-50.45	285.52	-1.78	-52.23
CC=CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043863	0	37	-1.0	-46.64	301.13	0.35	-46.29
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043864	0	41	0.0	-66.09	313.98	2.21	-63.88
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005043864	1	40	-1.0	-47.03	304.32	-0.58	-47.61
CCC=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043865	0	36	-1.0	-43.03	297.60	2.33	-40.70
CCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043866	0	36	-1.0	-47.02	295.51	2.34	-44.68
[N-]=[N+]=NCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043867	0	34	-1.0	-46.57	292.37	-2.24	-48.81
C#CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043868	0	35	-1.0	-53.20	302.59	2.02	-51.18
CC(O)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043869	0	39	-1.0	-48.45	315.57	-0.60	-49.05
C#CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043870	0	34	-1.0	-47.09	289.51	2.43	-44.66
CC=CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043871	0	37	-1.0	-44.70	309.56	3.02	-41.68
COCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043872	0	37	-1.0	-49.01	307.77	0.62	-48.39
CCC(C)(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043873	0	39	-1.0	-43.40	302.38	-0.89	-44.29
C#CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043874	0	37	-1.0	-46.13	305.91	2.78	-43.35
C=CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043875	0	34	-1.0	-46.90	280.60	-0.68	-47.58
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC2CC3)CC1	REAL250005043876	0	37	-1.0	-44.20	298.47	2.84	-41.36
C=C[C@H](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043877	0	39	-1.0	-44.00	312.94	2.91	-41.09
O=C(C=CC1CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043878	0	37	-1.0	-44.38	306.74	3.28	-41.10
CCC(C#N)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043879	0	36	-1.0	-46.46	299.20	1.74	-44.72
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C3CCC32)CC1	REAL250005043880	0	37	-1.0	-44.58	294.69	3.17	-41.41
C=C1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043881	0	37	-1.0	-43.30	299.87	2.68	-40.62
C[C@H]1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[C@H]1C	REAL250005043882	0	39	-1.0	-43.46	302.38	3.02	-40.44
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043883	0	41	0.0	-68.27	315.25	2.36	-65.91
CC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043883	1	41	0.0	-68.27	315.25	2.36	-65.91
CCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043883	1	40	-1.0	-47.54	313.71	0.21	-47.33
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043884	0	33	-1.0	-44.79	267.82	-1.37	-46.16
CC(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043885	0	31	-1.0	-43.95	261.76	-0.07	-44.02
N#CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043886	0	36	-1.0	-56.65	304.58	2.43	-54.22
N#CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043887	0	34	-1.0	-46.76	291.26	1.82	-44.94
C=C1CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005043888	0	37	-1.0	-47.97	301.65	2.87	-45.10
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(F)CC2)CC1	REAL250005043889	0	33	-1.0	-43.38	276.39	1.73	-41.65
COC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043890	0	39	-1.0	-43.82	302.37	0.67	-43.15
CC(CC#N)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043891	0	36	-1.0	-49.54	299.48	1.95	-47.59
CCC1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043892	0	39	-1.0	-46.58	309.34	3.31	-43.27
C=CC(C)(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043893	0	37	-1.0	-43.59	297.51	-0.67	-44.26
CCCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043894	0	39	-1.0	-46.84	317.01	3.12	-43.72
CC=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043895	0	33	-1.0	-43.35	277.30	1.58	-41.77
C[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043896	0	41	0.0	-65.64	313.31	2.03	-63.61
C[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005043896	1	40	-1.0	-44.53	311.30	-0.30	-44.83
CCOC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043897	0	37	-1.0	-46.43	307.47	1.21	-45.22
CC(=O)OCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043898	0	35	-1.0	-49.36	298.31	2.13	-47.23
CC(=O)C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043899	0	35	-1.0	-47.10	297.80	1.46	-45.64
O=C(COC1CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043900	0	37	-1.0	-47.79	306.86	2.14	-45.65
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC=CN2)CC1	REAL250005043901	0	33	-1.0	-47.44	277.23	0.57	-46.87
CC(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043902	0	36	-1.0	-46.47	290.86	-1.72	-48.19
O=C(C1=CON=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043903	0	32	-1.0	-45.97	274.08	0.73	-45.24
O=C(CCCCO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043904	0	39	-1.0	-48.65	316.65	-0.64	-49.29
O=C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005043905	0	35	-1.0	-43.18	292.98	1.68	-41.50
O=C(CC1(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043906	0	37	-1.0	-48.05	304.05	-0.87	-48.92
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC2F)CC1	REAL250005043907	0	36	-1.0	-43.87	293.12	2.28	-41.59
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@@H]2C[C@H]2CF)CC1	REAL250005043908	0	36	-1.0	-46.33	299.84	2.56	-43.77
CCC(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043909	0	39	-1.0	-50.43	306.60	-1.15	-51.58
N#C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043910	0	34	-1.0	-53.96	288.83	2.04	-51.92
O=C(C1=COCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043911	0	35	-1.0	-48.29	282.86	0.58	-47.71
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(O)CC2)CC1	REAL250005043912	0	34	-1.0	-43.98	281.48	-1.39	-45.37
O=C(C1=CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043913	0	34	-1.0	-45.18	277.81	2.12	-43.06
CC(CF)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043914	0	35	-1.0	-45.77	285.94	1.68	-44.09
CC(Cl)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043915	0	33	-1.0	-45.64	286.73	2.10	-43.54
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043916	0	33	-1.0	-47.20	274.42	1.59	-45.61
CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1F	REAL250005043917	0	36	-1.0	-47.65	293.36	2.24	-45.41
O=C(C=CCF)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043918	0	33	-1.0	-49.18	280.60	1.70	-47.48
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(CO)CC2)CC1	REAL250005043919	0	37	-1.0	-47.39	301.68	-1.23	-48.62
O=C(C1=CC=NO1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043920	0	32	-1.0	-44.50	273.22	0.61	-43.89
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043922	0	33	-1.0	-45.11	268.54	-1.26	-46.37
CON=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043923	0	33	-1.0	-48.50	283.30	-0.46	-48.96
CC(C)[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043924	0	39	-1.0	-43.70	300.19	0.07	-43.63
C#CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043925	0	35	-1.0	-44.31	297.67	2.72	-41.59
C=CC=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043926	0	37	-1.0	-47.98	310.39	3.11	-44.87
C#C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043927	0	35	-1.0	-50.31	294.56	2.90	-47.41
CC=C(CC)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043928	0	39	-1.0	-44.04	315.11	2.88	-41.16
COC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043929	0	33	-1.0	-46.34	279.07	-0.18	-46.52
COCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043930	0	37	-1.0	-44.89	302.48	-2.07	-46.96
N#C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043931	0	34	-1.0	-48.98	292.70	2.15	-46.83
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@H]2C[C@@H](O)C2)CC1	REAL250005043932	0	37	-1.0	-47.52	299.50	-1.18	-48.70
O=C(COCCO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043933	0	37	-1.0	-53.40	308.18	-1.64	-55.04
CC(C)(CF)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043934	0	38	-1.0	-42.80	295.83	1.82	-40.98
CC(C)(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043935	0	39	-1.0	-43.94	300.20	-1.54	-45.48
C=CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043936	0	39	-1.0	-46.23	312.94	2.82	-43.41
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043937	0	36	-1.0	-46.97	293.05	2.41	-44.56
CC(C)(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043938	0	36	-1.0	-47.61	282.08	-0.96	-48.57
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NOCC2)CC1	REAL250005043939	0	34	-1.0	-44.65	282.83	0.07	-44.58
CC(C#N)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043940	0	36	-1.0	-48.27	299.78	2.18	-46.09
CC(CCO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043941	0	39	-1.0	-48.92	310.29	-1.10	-50.02
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@H](O)CF)CC1	REAL250005043942	0	33	-1.0	-47.45	275.11	-1.11	-48.56
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(O)CCC2)CC1	REAL250005043943	0	37	-1.0	-43.62	296.57	-1.08	-44.70
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C(O)C2CC2)CC1	REAL250005043944	0	37	-1.0	-43.82	297.56	0.07	-43.75
C=C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043945	0	36	-1.0	-47.20	296.50	2.32	-44.88
CC(C)(C#N)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043946	0	36	-1.0	-45.39	294.08	1.34	-44.05
CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043947	0	36	-1.0	-49.27	306.76	2.51	-46.76
CC(C)=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043948	0	39	-1.0	-46.79	313.19	2.71	-44.08
CNC(=O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043949	0	36	-1.0	-59.29	298.32	0.16	-59.13
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC(F)C2)CC1	REAL250005043950	0	36	-1.0	-45.96	294.67	2.34	-43.62
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043951	0	33	-1.0	-47.51	275.14	1.68	-45.83
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043952	0	38	0.0	-73.56	297.82	1.81	-71.75
CN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043952	1	37	-1.0	-47.60	295.73	-0.58	-48.18
N#CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043953	0	30	-1.0	-56.56	261.70	0.83	-55.73
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC2F)CC1	REAL250005043954	0	33	-1.0	-48.24	276.55	1.84	-46.40
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043955	0	41	0.0	-66.09	313.98	2.21	-63.88
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005043955	1	40	-1.0	-47.03	304.32	-0.58	-47.61
O=C(CCF)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043956	0	32	-1.0	-46.41	268.83	1.28	-45.13
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C=CCC2)CC1	REAL250005043957	0	37	-1.0	-43.86	293.53	2.56	-41.30
C#CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043958	0	37	-1.0	-43.16	300.36	2.30	-40.86
CO[C@H](C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043959	0	36	-1.0	-49.66	290.60	0.89	-48.77
CC(=O)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043960	0	37	-1.0	-47.16	306.83	1.81	-45.35
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043961	0	33	-1.0	-44.90	268.26	-1.37	-46.27
O=C(CN1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043962	0	38	-1.0	-45.71	303.27	-1.12	-46.83
O=C(C[NH+]1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043962	1	39	0.0	-68.60	307.84	2.15	-66.45
CC(O)C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043963	0	39	-1.0	-47.03	308.85	-0.93	-47.96
C=C1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043964	0	34	-1.0	-46.78	285.60	2.44	-44.34
COC(OC)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043965	0	37	-1.0	-49.42	299.14	0.13	-49.29
CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)COC1	REAL250005043966	0	37	-1.0	-46.45	293.70	-0.13	-46.58
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC(=O)N2)CC1	REAL250005043967	0	34	-1.0	-51.51	285.48	-2.76	-54.27
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@@H]2CC(=O)N2)CC1	REAL250005043968	0	34	-1.0	-54.61	286.56	-2.27	-56.88
CCC[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043969	0	39	-1.0	-46.58	311.92	0.29	-46.29
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(F)CCC2)CC1	REAL250005043970	0	36	-1.0	-44.51	291.82	2.25	-42.26
O=C(C1=CNC=N1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043971	0	33	-1.0	-49.10	277.28	1.43	-47.67
O=C(C1=CN=CN1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043971	1	33	-1.0	-46.64	277.86	1.09	-45.55
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC(=O)C2)CC1	REAL250005043972	0	35	-1.0	-48.95	291.27	1.46	-47.49
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2(O)COC2)CC1	REAL250005043973	0	35	-1.0	-47.66	285.16	-3.08	-50.74
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)=C1CC1	REAL250005043974	0	37	-1.0	-44.08	308.65	3.07	-41.01
CC1=CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043975	0	34	-1.0	-45.13	286.92	2.44	-42.69
CN(C)C(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043976	0	36	-1.0	-46.57	299.84	-0.36	-46.93
CCCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043977	0	39	-1.0	-46.76	310.80	0.33	-46.43
CCC(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043978	0	39	-1.0	-50.96	314.41	0.27	-50.69
O=C(CCCCF)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043979	0	38	-1.0	-47.96	311.82	2.83	-45.13
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@H]2CC(=O)N2)CC1	REAL250005043980	0	34	-1.0	-54.73	286.08	-2.38	-57.11
COC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005043981	0	37	-1.0	-42.93	304.24	0.71	-42.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CSC2)CC1	REAL250005043982	0	34	-1.0	-50.29	283.34	1.78	-48.51
C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043983	0	30	-1.0	-45.06	253.04	0.82	-44.24
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC(=O)N2)CC1	REAL250005043984	0	34	-1.0	-51.51	285.48	-2.76	-54.27
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC(F)C2)CC1	REAL250005043985	0	36	-1.0	-45.96	294.67	2.34	-43.62
O=C(C1=CC=NO1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043986	0	32	-1.0	-44.50	273.22	0.61	-43.89
CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005043987	0	41	-1.0	-49.98	321.96	1.60	-48.38
CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005043988	0	38	-1.0	-50.21	301.65	0.79	-49.42
O=C(CO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005043989	0	39	-1.0	-54.45	312.43	-1.32	-55.77
CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005043990	0	41	-1.0	-47.01	321.88	1.60	-45.41
CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005043991	0	38	-1.0	-46.96	301.12	0.77	-46.19
O=C(CO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005043992	0	39	-1.0	-51.52	312.35	-1.45	-52.97
C=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005043993	0	39	-1.0	-47.37	313.66	1.30	-46.07
CCC(=O)NC1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043994	0	39	-1.0	-49.77	328.15	0.92	-48.85
CC(=O)NC1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043995	0	36	-1.0	-47.11	305.20	0.18	-46.93
O=C(CO)NC1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043996	0	37	-1.0	-54.75	318.62	-2.01	-56.76
CCC(=O)NC1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043997	0	39	-1.0	-49.77	328.15	0.92	-48.85
CC(=O)NC1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043998	0	36	-1.0	-47.11	305.20	0.18	-46.93
O=C(CO)NC1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005043999	0	37	-1.0	-54.75	318.62	-2.01	-56.76
C=CC(=O)NC1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005044000	0	37	-1.0	-49.98	320.01	0.64	-49.34
COCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044001	0	32	-1.0	-46.83	286.57	-3.29	-50.12
O=C(NCCNC(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005044002	0	32	-1.0	-46.76	279.63	-1.09	-47.85
O=C(NCCNC(=O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005044003	0	35	-1.0	-46.63	295.93	-0.47	-47.10
O=C(NCCNC(=O)C1CCOCC1)C1=CC(=O)[N-]O1	REAL250005044004	0	36	-1.0	-48.05	305.20	-2.21	-50.26
O=C(CC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044005	0	32	-1.0	-47.24	283.84	-0.82	-48.06
CC(C)(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044006	0	31	-1.0	-45.35	279.72	-1.70	-47.05
CC(F)(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044007	0	28	-1.0	-44.30	264.75	-2.17	-46.47
O=C(NCCNC(=O)C1=CC=CC=N1)C1=CC(=O)[N-]O1	REAL250005044008	0	31	-1.0	-48.04	285.50	-1.75	-49.79
O=C(NCCNC(=O)C1=CC=NC=C1)C1=CC(=O)[N-]O1	REAL250005044009	0	31	-1.0	-48.13	283.47	-1.81	-49.94
O=C(NCCNC(=O)C1=CC=C(F)C=C1)C1=CC(=O)[N-]O1	REAL250005044010	0	32	-1.0	-47.08	294.69	0.01	-47.07
O=C(NCCNC(=O)C1=CC=CN=C1)C1=CC(=O)[N-]O1	REAL250005044011	0	31	-1.0	-48.11	283.27	-1.82	-49.93
O=C(CC1=CC=CS1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044012	0	32	-1.0	-48.47	303.14	-0.26	-48.73
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL250005044013	0	29	-1.0	-47.51	272.52	-2.04	-49.55
CC(=O)NCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044014	0	32	-1.0	-49.01	291.58	-4.68	-53.69
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)SC=C1	REAL250005044015	0	32	-1.0	-46.42	297.34	-0.37	-46.79
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL250005044016	0	32	-1.0	-46.77	302.23	-0.25	-47.02
O=C(C=CC1=CC=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044017	0	33	-1.0	-48.11	305.45	-0.67	-48.78
O=C(NCCNC(=O)C1=CC=CC=C1F)C1=CC(=O)[N-]O1	REAL250005044018	0	32	-1.0	-51.71	292.85	0.02	-51.69
O=C(NCCNC(=O)C1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL250005044019	0	32	-1.0	-47.96	288.29	-0.06	-48.02
CC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044020	0	34	-1.0	-46.55	291.12	-1.01	-47.56
O=C(NCCNC(=O)C1CCCCC1)C1=CC(=O)[N-]O1	REAL250005044021	0	38	-1.0	-46.39	314.08	0.21	-46.18
O=C(NCCNC(=O)C1=CN=CC=N1)C1=CC(=O)[N-]O1	REAL250005044022	0	30	-1.0	-48.22	280.29	-3.64	-51.86
CC1=CC=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044023	0	35	-1.0	-47.10	304.35	0.61	-46.49
O=C(CC1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044024	0	38	-1.0	-46.78	316.10	0.26	-46.52
O=C(CCC1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044025	0	41	-1.0	-46.85	338.60	1.02	-45.83
O=C(NCCNC(=O)C1=CC=CC(F)=C1)C1=CC(=O)[N-]O1	REAL250005044026	0	32	-1.0	-49.24	294.70	0.01	-49.23
O=C(NCCNC(=O)C1=CC=CS1)C1=CC(=O)[N-]O1	REAL250005044027	0	29	-1.0	-46.84	280.44	-1.05	-47.89
CC1=CN=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005044028	0	33	-1.0	-47.82	301.93	-3.02	-50.84
O=C(CC1=CSC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044029	0	32	-1.0	-48.42	302.89	-0.45	-48.87
CC1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044030	0	32	-1.0	-46.78	284.79	-0.93	-47.71
CC1=CC=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044031	0	35	-1.0	-48.06	309.69	0.61	-47.45
CCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044032	0	32	-1.0	-50.25	287.47	-2.04	-52.29
CC(C)=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044033	0	32	-1.0	-46.28	282.37	-1.04	-47.32
O=C(NCCNC(=O)C1=COCCO1)C1=CC(=O)[N-]O1	REAL250005044034	0	32	-1.0	-51.66	286.45	-2.41	-54.07
O=C(NCCNC(=O)C1=CC=[N+]([O-])C=C1)C1=CC(=O)[N-]O1	REAL250005044035	0	32	-1.0	-58.14	295.73	-1.42	-59.56
O=C(NCCNC(=O)C1CC2C=CC1C2)C1=CC(=O)[N-]O1	REAL250005044036	0	37	-1.0	-46.23	311.51	0.43	-45.80
CC(=O)NC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044037	0	35	-1.0	-48.91	311.12	-3.83	-52.74
O=C(NCCNC(=O)C1=NNC(=O)C=C1)C1=CC(=O)[N-]O1	REAL250005044038	0	31	-1.0	-48.04	290.16	-4.54	-52.58
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044039	0	32	-1.0	-47.09	294.43	-1.22	-48.31
O=C(CC1CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044040	0	41	-1.0	-46.65	332.75	0.89	-45.76
O=C(NCCNC(=O)C1CCCO1)C1=CC(=O)[N-]O1	REAL250005044041	0	33	-1.0	-50.42	288.92	-1.79	-52.21
CSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044042	0	29	-1.0	-49.36	275.96	-1.93	-51.29
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005044043	0	31	-1.0	-47.26	288.93	-1.97	-49.23
CSCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044044	0	32	-1.0	-46.38	297.63	-1.12	-47.50
CC(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044045	0	37	-1.0	-46.85	313.46	-0.31	-47.16
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=C1	REAL250005044046	0	29	-1.0	-47.78	279.63	-1.14	-48.92
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005044047	0	32	-1.0	-47.52	289.96	-1.28	-48.80
O=C(CC1C=CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044048	0	36	-1.0	-47.33	308.26	0.17	-47.16
O=C(CN1C=NN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044049	0	30	-1.0	-61.91	281.70	-2.81	-64.72
O=C(CN1CCCC1=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044050	0	36	-1.0	-54.70	317.93	-1.70	-56.40
CN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005044051	0	32	-1.0	-49.81	293.33	-2.31	-52.12
CC1=NOC(C)=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044052	0	34	-1.0	-47.89	311.62	-1.23	-49.12
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)SN=N1	REAL250005044053	0	30	-1.0	-46.60	288.51	-2.87	-49.47
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C(C)O1	REAL250005044054	0	35	-1.0	-47.18	311.87	-0.45	-47.63
O=C(NCCNC(=O)C1CC=CCC1)C1=CC(=O)[N-]O1	REAL250005044055	0	36	-1.0	-46.27	306.34	0.09	-46.18
CC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044056	0	31	-1.0	-46.34	288.96	-2.03	-48.37
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=CN1	REAL250005044057	0	30	-1.0	-49.46	275.40	-2.26	-51.72
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(Cl)=CN1	REAL250005044058	0	30	-1.0	-49.32	292.47	-1.74	-51.06
CC(=O)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044059	0	36	-1.0	-55.72	319.10	-0.90	-56.62
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1C	REAL250005044060	0	36	-1.0	-47.80	313.86	-0.13	-47.93
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC=C1	REAL250005044061	0	29	-1.0	-50.35	271.68	-2.08	-52.43
O=C(CN1C=CC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044062	0	32	-1.0	-54.94	293.12	-1.95	-56.89
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005044063	0	32	-1.0	-47.34	290.41	-1.36	-48.70
O=C(NCCNC(=O)C1CC2CCC1C2)C1=CC(=O)[N-]O1	REAL250005044064	0	39	-1.0	-46.95	315.24	0.38	-46.57
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=C(Cl)O1	REAL250005044065	0	29	-1.0	-45.02	289.57	-1.43	-46.45
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=NN1C	REAL250005044066	0	35	-1.0	-49.47	308.86	-1.82	-51.29
CCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044067	0	37	-1.0	-46.95	317.39	-0.03	-46.98
CC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044068	0	37	-1.0	-45.74	306.09	-0.48	-46.22
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005044069	0	34	-1.0	-48.09	304.88	-1.21	-49.30
CN1C=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044070	0	33	-1.0	-47.72	293.26	-0.62	-48.34
O=C(CCN1C=NC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044071	0	34	-1.0	-49.92	310.06	0.03	-49.89
CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044072	0	34	-1.0	-47.02	295.90	-0.81	-47.83
CC1=CC=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044073	0	34	-1.0	-47.85	307.11	-1.16	-49.01
O=C(CCN1C=CC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044074	0	35	-1.0	-48.50	315.30	-1.39	-49.89
O=C(NCCNC(=O)C1=CC=CC=C1O)C1=CC(=O)[N-]O1	REAL250005044075	0	33	-1.0	-49.87	297.13	-1.52	-51.39
CCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044076	0	34	-1.0	-46.60	290.57	-1.04	-47.64
CC(C)SCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044077	0	35	-1.0	-48.96	315.70	-0.41	-49.37
CC(=O)N(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044078	0	35	-1.0	-55.37	308.97	-2.39	-57.76
CCC(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044079	0	37	-1.0	-46.54	307.16	-0.60	-47.14
CC(C)OCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044080	0	38	-1.0	-46.69	328.70	-1.58	-48.27
CCC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044081	0	35	-1.0	-47.68	313.48	-2.26	-49.94
O=C(CCC1CCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044082	0	39	-1.0	-47.43	330.82	-1.26	-48.69
O=C(NCCNC(=O)C1COCCO1)C1=CC(=O)[N-]O1	REAL250005044083	0	34	-1.0	-49.89	297.86	-2.98	-52.87
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=NN1	REAL250005044084	0	29	-1.0	-47.76	270.11	-3.58	-51.34
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1C=CC=N1	REAL250005044085	0	35	-1.0	-52.17	311.64	-1.46	-53.63
CCCCC(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044086	0	43	-1.0	-46.39	354.57	1.03	-45.36
CSC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044087	0	32	-1.0	-49.10	294.51	-1.36	-50.46
CCOC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044088	0	35	-1.0	-49.85	307.27	-1.33	-51.18
CC(C)COCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044089	0	41	-1.0	-46.50	350.03	-0.82	-47.32
CCOCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044090	0	38	-1.0	-49.63	329.92	-1.55	-51.18
O=C(COCC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044091	0	36	-1.0	-50.40	319.15	-0.45	-50.85
O=C(CC1CCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044092	0	36	-1.0	-50.51	309.00	-1.34	-51.85
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)SC=N1	REAL250005044093	0	31	-1.0	-47.39	292.46	-2.28	-49.67
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CNN=C1	REAL250005044094	0	29	-1.0	-49.03	270.39	-3.62	-52.65
O=C(CNC(=O)C1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044095	0	36	-1.0	-48.64	322.38	-3.09	-51.73
COCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044096	0	35	-1.0	-49.63	308.07	-2.52	-52.15
O=C(COC1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044097	0	39	-1.0	-50.13	332.16	0.03	-50.10
CC1=NC=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044098	0	33	-1.0	-47.22	294.74	-1.38	-48.60
CCSCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044099	0	35	-1.0	-46.38	319.10	-0.24	-46.62
CCOC1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044100	0	36	-1.0	-46.27	318.98	-1.70	-47.97
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=NSN=C1	REAL250005044101	0	27	-1.0	-45.45	269.24	-4.10	-49.55
O=C(NCCNC(=O)C1=CN=NS1)C1=CC(=O)[N-]O1	REAL250005044102	0	27	-1.0	-47.15	270.57	-3.45	-50.60
COC(=O)NCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044103	0	33	-1.0	-48.93	302.40	-5.27	-54.20
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=NOC=C1	REAL250005044104	0	28	-1.0	-48.26	266.99	-2.81	-51.07
CCCSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044105	0	35	-1.0	-48.99	318.92	-0.24	-49.23
CC(=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044106	0	36	-1.0	-45.91	310.48	0.39	-45.52
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044107	0	32	-1.0	-47.81	292.05	-3.00	-50.81
O=C(NCCNC(=O)C1=CN=CS1)C1=CC(=O)[N-]O1	REAL250005044108	0	28	-1.0	-47.89	275.45	-2.91	-50.80
CC1=NN(C)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044109	0	35	-1.0	-47.90	310.52	-1.73	-49.63
CC1=CN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL250005044110	0	35	-1.0	-54.79	315.00	-1.27	-56.06
CC(C)COC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044111	0	41	-1.0	-49.55	348.87	0.15	-49.40
CCCC(=O)NCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044112	0	38	-1.0	-48.50	333.36	-3.10	-51.60
CCC=C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044113	0	35	-1.0	-46.89	301.60	-0.31	-47.20
CS(=O)(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044114	0	31	-1.0	-63.19	294.43	-5.37	-68.56
O=C(C=C1CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044115	0	39	-1.0	-46.07	323.55	0.76	-45.31
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005044116	0	31	-1.0	-47.76	285.29	-4.63	-52.39
CCOC(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044117	0	38	-1.0	-48.57	327.73	-0.46	-49.03
O=C(CC(F)(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044118	0	28	-1.0	-50.24	270.32	-1.94	-52.18
COC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044119	0	32	-1.0	-49.82	285.40	-2.29	-52.11
CC(C)OCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044120	0	35	-1.0	-50.06	307.75	-1.31	-51.37
CC(OCC1CC1)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044121	0	39	-1.0	-50.11	338.93	0.24	-49.87
CCCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044122	0	35	-1.0	-50.01	308.97	-1.23	-51.24
CCCCOC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044123	0	41	-1.0	-49.63	350.26	0.24	-49.39
C=CCCOC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044124	0	39	-1.0	-49.73	341.58	0.02	-49.71
O=C(NCCNC(=O)C1CCOC1)C1=CC(=O)[N-]O1	REAL250005044125	0	33	-1.0	-48.40	286.81	-3.00	-51.40
O=C(NCCNC(=O)C1=CC=NC(F)=C1)C1=CC(=O)[N-]O1	REAL250005044126	0	31	-1.0	-49.93	289.90	-1.88	-51.81
CC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL250005044127	0	31	-1.0	-47.71	297.39	-2.19	-49.90
CN1N=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044128	0	32	-1.0	-47.89	288.75	-2.32	-50.21
CCC(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044129	0	35	-1.0	-48.56	306.62	-1.46	-50.02
COCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044130	0	38	-1.0	-47.84	329.57	-1.74	-49.58
CCCC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044131	0	40	-1.0	-46.46	330.85	0.41	-46.05
COC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044132	0	35	-1.0	-48.32	305.71	-1.76	-50.08
CN1C=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005044133	0	35	-1.0	-52.71	315.73	-1.59	-54.30
O=C(NCCNC(=O)C1CCCCCC1)C1=CC(=O)[N-]O1	REAL250005044134	0	41	-1.0	-46.22	325.10	0.69	-45.53
C=CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044135	0	32	-1.0	-46.89	287.21	-1.03	-47.92
O=C(NCCNC(=O)C1=COCCC1)C1=CC(=O)[N-]O1	REAL250005044136	0	34	-1.0	-47.26	294.48	-1.76	-49.02
COC(=O)C1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044137	0	35	-1.0	-48.52	319.07	-0.90	-49.42
O=C(NCCNC(=O)C1CCCOC1)C1=CC(=O)[N-]O1	REAL250005044138	0	36	-1.0	-46.64	305.13	-2.20	-48.84
CCOCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044139	0	35	-1.0	-46.72	308.43	-2.32	-49.04
CCNC(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044140	0	38	-1.0	-48.95	334.00	-3.20	-52.15
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=N1	REAL250005044141	0	28	-1.0	-47.92	275.53	-3.05	-50.97
COCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044142	0	35	-1.0	-46.35	305.28	-2.57	-48.92
CC(C)(C)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044143	0	43	-1.0	-46.77	351.13	0.88	-45.89
C=CCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044144	0	33	-1.0	-50.50	300.38	-1.46	-51.96
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC=N1	REAL250005044145	0	28	-1.0	-48.31	267.30	-5.45	-53.76
O=C(NCCNC(=O)[C@H]1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005044146	0	33	-1.0	-55.10	295.23	-4.47	-59.57
O=C(CC1=CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044147	0	39	-1.0	-47.18	328.80	0.85	-46.33
CC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005044148	0	32	-1.0	-50.03	292.21	-2.67	-52.70
CSCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044149	0	35	-1.0	-45.95	315.04	-0.54	-46.49
C[N@@H+]1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044150	0	38	0.0	-68.69	308.44	-1.09	-69.78
C[N@H+]1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044150	1	38	0.0	-68.70	308.51	-1.08	-69.78
CN1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044150	1	37	-1.0	-48.34	313.71	-2.92	-51.26
CCC(=O)NCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044151	0	35	-1.0	-48.66	311.87	-3.87	-52.53
CC(C)(C)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044152	0	38	-1.0	-46.55	324.40	0.05	-46.50
O=C(NCCNC(=O)C1=CC=C(F)N=C1)C1=CC(=O)[N-]O1	REAL250005044153	0	31	-1.0	-47.71	289.69	-1.90	-49.61
COCCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044154	0	36	-1.0	-52.77	321.10	-2.79	-55.56
CCCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044155	0	37	-1.0	-46.63	312.07	-0.28	-46.91
CC1=NN(C)C=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044156	0	35	-1.0	-51.75	311.43	-1.70	-53.45
O=C(NCCNC(=O)C1CC2CCC1O2)C1=CC(=O)[N-]O1	REAL250005044157	0	37	-1.0	-46.40	306.24	-2.05	-48.45
CC1=CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005044158	0	34	-1.0	-54.11	309.07	-1.19	-55.30
CCN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005044159	0	35	-1.0	-49.55	314.84	-1.44	-50.99
NC1=NC=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044160	0	32	-1.0	-47.48	290.63	-4.51	-51.99
O=C(CCC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044161	0	35	-1.0	-46.95	306.01	-0.03	-46.98
CC1=C(C)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005044162	0	35	-1.0	-48.90	309.59	-2.42	-51.32
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1C	REAL250005044162	1	35	-1.0	-47.69	309.93	-2.32	-50.01
O=C(CC1CCOCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044163	0	39	-1.0	-47.42	323.81	-1.50	-48.92
CCCCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044164	0	38	-1.0	-50.03	330.47	-0.45	-50.48
O=C(CC1=NOC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044165	0	31	-1.0	-54.07	287.13	-2.02	-56.09
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005044166	0	34	-1.0	-47.59	306.78	-3.86	-51.45
O=C(CC1CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044167	0	36	-1.0	-48.46	307.12	-2.32	-50.78
O=C(NCCNC(=O)C1CC=CC1)C1=CC(=O)[N-]O1	REAL250005044168	0	33	-1.0	-46.66	288.44	-0.59	-47.25
O=C(CC1=NNC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044169	0	32	-1.0	-53.62	291.99	-2.94	-56.56
O=C(NCCNC(=O)C1=CC=NC=C1F)C1=CC(=O)[N-]O1	REAL250005044170	0	31	-1.0	-50.68	288.11	-1.72	-52.40
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=NN1C	REAL250005044171	0	34	-1.0	-49.60	305.02	-3.25	-52.85
CC1=CC=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044172	0	34	-1.0	-47.39	299.54	-1.15	-48.54
CC1=CN=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044173	0	34	-1.0	-47.94	304.73	-1.19	-49.13
CN1CCOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044174	0	38	-1.0	-49.32	323.02	-3.60	-52.92
C[N@@H+]1CCOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044174	1	39	0.0	-79.59	325.85	-1.19	-80.78
C[N@H+]1CCOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044174	1	39	0.0	-79.64	325.85	-1.19	-80.83
CC1=NC(C)=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044175	0	34	-1.0	-47.39	307.26	-4.00	-51.39
O=C(CCC(F)(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044176	0	31	-1.0	-46.59	292.53	-1.21	-47.80
C=CCOCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044177	0	39	-1.0	-49.87	342.83	-0.98	-50.85
O=C(CC1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044178	0	35	-1.0	-47.10	300.80	-0.30	-47.40
O=C(NCCNC(=O)C1=CC=CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005044179	0	32	-1.0	-54.34	292.92	-3.17	-57.51
CC1(C)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005044180	0	41	-1.0	-46.03	333.16	1.27	-44.76
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005044181	0	31	-1.0	-48.01	285.27	-4.74	-52.75
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044182	0	35	-1.0	-46.97	301.75	-0.24	-47.21
O=C(NCCNC(=O)C1C2CCCC21)C1=CC(=O)[N-]O1	REAL250005044183	0	36	-1.0	-46.53	301.41	0.44	-46.09
N#CC1=CNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044184	0	31	-1.0	-53.48	296.49	-1.80	-55.28
CC1=CSC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044185	0	32	-1.0	-47.17	296.52	-0.46	-47.63
O=C(CCC1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044186	0	38	-1.0	-46.85	322.63	0.49	-46.36
CC1=CC(C)=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044187	0	35	-1.0	-47.01	312.32	-0.54	-47.55
O=C(CCC1=NN=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044188	0	34	-1.0	-53.08	308.30	-1.16	-54.24
O=C(CCC1=NNC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044188	1	34	-1.0	-52.34	308.92	-1.55	-53.89
CC1=CC=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044189	0	34	-1.0	-47.40	301.56	-1.09	-48.49
CC=C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044190	0	32	-1.0	-47.08	281.21	-1.08	-48.16
O=C(CCC1CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044191	0	39	-1.0	-48.96	328.35	-1.59	-50.55
O=C(CCC1=COC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044192	0	35	-1.0	-48.40	315.05	-0.62	-49.02
O=C(NCCNC(=O)C1CC(F)(F)C1)C1=CC(=O)[N-]O1	REAL250005044193	0	32	-1.0	-47.36	292.88	-0.92	-48.28
CC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044194	0	35	-1.0	-46.48	299.37	-0.49	-46.97
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)=C1CCCC1	REAL250005044195	0	39	-1.0	-46.60	323.63	0.96	-45.64
O=C(CC1CCCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044196	0	39	-1.0	-49.20	327.01	-0.45	-49.65
CC1=CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005044197	0	35	-1.0	-53.50	313.90	-2.37	-55.87
CC1=NNC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044197	1	35	-1.0	-52.61	314.75	-2.47	-55.08
O=C(C=C1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044198	0	33	-1.0	-47.22	292.06	-0.36	-47.58
O=C(NCCNC(=O)C1=CN=CC(F)=C1)C1=CC(=O)[N-]O1	REAL250005044199	0	31	-1.0	-47.41	289.69	-1.76	-49.17
CCC(=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005044200	0	38	-1.0	-45.56	322.66	0.42	-45.14
O=C(NCCNC(=O)C1=CC(=O)NC=C1)C1=CC(=O)[N-]O1	REAL250005044201	0	32	-1.0	-58.01	293.26	-3.15	-61.16
CC(C)=C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044202	0	32	-1.0	-44.35	286.73	-0.99	-45.34
O=C(NCCNC(=O)C1CCNC(=O)C1)C1=CC(=O)[N-]O1	REAL250005044203	0	36	-1.0	-51.10	311.40	-3.79	-54.89
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CCCC1	REAL250005044204	0	33	-1.0	-46.83	289.48	-0.49	-47.32
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(F)=C1CCCC1	REAL250005044205	0	36	-1.0	-44.45	313.66	0.32	-44.13
CN1C=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044206	0	33	-1.0	-49.52	298.32	-0.45	-49.97
CN1C=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044207	0	32	-1.0	-50.61	293.86	-0.84	-51.45
O=C(CC1COC(=O)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044208	0	35	-1.0	-51.94	309.94	-1.23	-53.17
CC1=C(C)OC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044209	0	35	-1.0	-47.31	314.05	-0.61	-47.92
O=C(CC1=CC=CN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044210	0	34	-1.0	-51.01	307.74	-1.17	-52.18
O=C(NCCNC(=O)C1CCCCO1)C1=CC(=O)[N-]O1	REAL250005044211	0	36	-1.0	-49.79	306.84	-1.00	-50.79
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1=O	REAL250005044212	0	33	-1.0	-48.90	303.65	-4.62	-53.52
CCC(SC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044213	0	35	-1.0	-46.75	314.79	-0.38	-47.13
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NC=N1	REAL250005044214	0	33	-1.0	-46.47	302.23	-1.36	-47.83
CC1(C)CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044215	0	35	-1.0	-46.18	300.02	-0.37	-46.55
CCC(C)OCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044216	0	38	-1.0	-49.93	328.51	-0.50	-50.43
CC1(C)C[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044217	0	35	-1.0	-46.15	300.02	-0.37	-46.52
CC(O)(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044218	0	39	-1.0	-45.85	323.15	-1.52	-47.37
CSC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044219	0	35	-1.0	-48.50	313.46	-0.57	-49.07
O=C(CN1CCOCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044220	0	38	-1.0	-48.24	319.39	-4.38	-52.62
O=C(NCCNC(=O)[C@@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005044221	0	33	-1.0	-50.48	289.12	-1.84	-52.32
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1C=NC=N1	REAL250005044222	0	34	-1.0	-53.79	306.48	-0.17	-53.96
CN1CCOCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044223	0	38	-1.0	-47.39	319.56	-4.69	-52.08
CC1=NSC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044224	0	31	-1.0	-47.55	290.60	-1.80	-49.35
C#CCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044225	0	36	-1.0	-47.96	323.18	0.49	-47.47
C#CCNC(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044226	0	34	-1.0	-57.42	316.25	-1.97	-59.39
CCNC(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044227	0	35	-1.0	-57.97	310.47	-2.47	-60.44
CNC(=O)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044228	0	38	-1.0	-58.18	334.01	-3.26	-61.44
COC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044229	0	32	-1.0	-46.17	299.95	-4.64	-50.81
COC(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044230	0	38	-1.0	-47.61	327.61	-1.75	-49.36
CCC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005044231	0	34	-1.0	-47.09	310.77	-3.95	-51.04
O=C(NCCNC(=O)C1=CC=C(F)C=N1)C1=CC(=O)[N-]O1	REAL250005044232	0	31	-1.0	-45.78	291.91	-1.69	-47.47
CN1N=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1N	REAL250005044233	0	34	-1.0	-49.39	303.36	-3.31	-52.70
O=C(NCCNC(=O)C1=CN=CN=C1)C1=CC(=O)[N-]O1	REAL250005044234	0	30	-1.0	-47.96	278.22	-2.02	-49.98
O=C(NCCNC(=O)C1=CCOCC1)C1=CC(=O)[N-]O1	REAL250005044235	0	34	-1.0	-47.58	295.62	-2.24	-49.82
O=C(CC1=COC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044236	0	32	-1.0	-50.01	293.65	-1.42	-51.43
CC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005044237	0	31	-1.0	-47.56	289.29	-4.72	-52.28
O=C(NCCNC(=O)C1=CCCCCC1)C1=CC(=O)[N-]O1	REAL250005044238	0	39	-1.0	-46.62	319.23	0.72	-45.90
C[C@H](NC(N)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044239	0	34	-1.0	-49.65	304.06	-6.61	-56.26
O=C(CC1OCCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044240	0	37	-1.0	-48.96	318.22	-1.97	-50.93
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005044241	0	32	-1.0	-50.13	293.58	-1.25	-51.38
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N(C)C=C1	REAL250005044242	0	36	-1.0	-48.48	320.16	-0.08	-48.56
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CN=N1	REAL250005044243	0	33	-1.0	-48.82	300.10	-2.28	-51.10
O=C(CCN1C=CN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044244	0	34	-1.0	-51.07	309.11	-2.63	-53.70
CC(=O)N1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044245	0	36	-1.0	-54.05	320.59	-2.60	-56.65
CN1OC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL250005044246	0	32	-1.0	-50.37	299.55	-2.66	-53.03
CCC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044247	0	37	-1.0	-46.55	309.35	-0.34	-46.89
COC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044248	0	39	-1.0	-49.49	326.12	-1.49	-50.98
CC1OCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044249	0	39	-1.0	-46.29	321.98	-1.50	-47.79
C#CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044250	0	33	-1.0	-49.74	301.68	-0.29	-50.03
O=C(NCCNC(=O)C1=C(Cl)OC=C1)C1=CC(=O)[N-]O1	REAL250005044251	0	29	-1.0	-48.96	286.62	-1.49	-50.45
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NS1	REAL250005044252	0	31	-1.0	-46.80	296.72	-1.78	-48.58
CCN1C=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044253	0	35	-1.0	-48.18	311.09	-0.70	-48.88
O=C(NCCNC(=O)C1CCCOCC1)C1=CC(=O)[N-]O1	REAL250005044254	0	39	-1.0	-47.41	316.60	-1.68	-49.09
O=C(CCC1=NC=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044255	0	35	-1.0	-49.87	313.70	-1.89	-51.76
O=C(NCCNC(=O)C1CCC(O)CC1)C1=CC(=O)[N-]O1	REAL250005044256	0	39	-1.0	-47.82	325.16	-3.13	-50.95
CC(C)(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044257	0	35	-1.0	-46.63	297.36	-2.93	-49.56
CC1=CC=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044258	0	33	-1.0	-52.00	302.80	-1.96	-53.96
COC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044259	0	36	-1.0	-48.16	314.65	-0.51	-48.67
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005044260	0	35	-1.0	-47.37	311.44	-0.50	-47.87
CN1N=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044261	0	31	-1.0	-48.72	283.50	-3.73	-52.45
CCCCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044262	0	40	-1.0	-46.57	333.57	0.50	-46.07
CC1CC(C)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044263	0	39	-1.0	-48.82	319.70	-0.16	-48.98
O=C(NCCNC(=O)[C@H]1C[C@@H]1C(F)F)C1=CC(=O)[N-]O1	REAL250005044264	0	32	-1.0	-50.65	297.90	-0.64	-51.29
CC1=COC(C)=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044265	0	35	-1.0	-48.34	316.81	-0.65	-48.99
CC1(C)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044266	0	38	-1.0	-46.52	313.64	-0.08	-46.60
CC(C)[C@@H](O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044267	0	35	-1.0	-46.66	298.92	-2.63	-49.29
CCOC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044268	0	39	-1.0	-49.44	334.95	-1.16	-50.60
CC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005044269	0	41	-1.0	-45.95	330.61	0.72	-45.23
CN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005044270	0	31	-1.0	-49.84	289.36	-3.75	-53.59
CC1=NN=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044271	0	33	-1.0	-56.18	305.02	-6.45	-62.63
CN1C=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044272	0	31	-1.0	-53.91	288.79	-1.64	-55.55
CNC(=O)NCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044273	0	37	-1.0	-57.71	328.56	-5.39	-63.10
O=C(NCCNC(=O)C1=C(F)C=CS1)C1=CC(=O)[N-]O1	REAL250005044274	0	29	-1.0	-50.54	285.52	-0.98	-51.52
CCN1N=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044275	0	34	-1.0	-47.43	310.68	-3.08	-50.51
CC(C)(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044276	0	41	-1.0	-45.61	329.80	0.77	-44.84
CCN1N=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044277	0	34	-1.0	-48.42	305.17	-2.85	-51.27
CC1=CSC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044278	0	32	-1.0	-46.75	302.06	-0.38	-47.13
O=C(NCCNC(=O)C1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005044279	0	29	-1.0	-48.18	276.42	-1.43	-49.61
CCC(C)=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044280	0	35	-1.0	-45.92	304.05	-0.29	-46.21
CC1=CN=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044281	0	34	-1.0	-47.38	299.72	-1.16	-48.54
CC(C)C#CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044282	0	33	-1.0	-47.50	302.29	-0.33	-47.83
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CS1	REAL250005044283	0	32	-1.0	-46.64	296.51	-0.36	-47.00
O=C(CC1(O)CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044284	0	36	-1.0	-47.52	307.60	-2.20	-49.72
CC1=CNN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044285	0	32	-1.0	-49.46	289.55	-2.91	-52.37
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005044286	0	36	-1.0	-47.19	309.77	0.39	-46.80
O=C(C#CC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044287	0	31	-1.0	-47.58	291.97	-0.16	-47.74
CC(C)(C)C#CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044288	0	36	-1.0	-47.25	322.43	0.20	-47.05
CC1=NN=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005044289	0	34	-1.0	-60.15	308.12	-2.12	-62.27
CC1=NC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005044289	1	34	-1.0	-54.59	309.51	-2.67	-57.26
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005044290	0	33	-1.0	-48.86	302.20	-2.31	-51.17
O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL250005044291	0	31	-1.0	-49.33	292.38	-1.23	-50.56
CC1=CN(C)N=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044292	0	35	-1.0	-50.17	312.37	-1.58	-51.75
O=C(NCCNC(=O)C1CCCC(F)C1)C1=CC(=O)[N-]O1	REAL250005044293	0	38	-1.0	-46.41	318.86	0.24	-46.17
CN1C=CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044294	0	35	-1.0	-54.54	314.94	-1.63	-56.17
COCC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044295	0	39	-1.0	-46.65	336.61	-1.27	-47.92
NC(=O)NCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044296	0	34	-1.0	-57.37	306.63	-6.84	-64.21
CC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044297	0	38	-1.0	-46.66	316.57	0.14	-46.52
CCN1C=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044298	0	35	-1.0	-50.16	315.22	-1.42	-51.58
CCOC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005044299	0	41	-1.0	-49.13	343.45	-0.02	-49.15
C#CCOCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044300	0	34	-1.0	-48.20	314.21	-1.78	-49.98
C#CCOC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044301	0	34	-1.0	-52.46	313.05	-0.79	-53.25
O=C(CCOCC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044302	0	39	-1.0	-46.77	340.10	-0.74	-47.51
O=C(COC1CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044303	0	37	-1.0	-51.09	322.90	-2.59	-53.68
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)NC(N)=O	REAL250005044304	0	37	-1.0	-56.04	325.98	-5.67	-61.71
O=C(NCCNC(=O)C1(C(F)F)CC1)C1=CC(=O)[N-]O1	REAL250005044305	0	32	-1.0	-46.86	292.40	-0.76	-47.62
C=CCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044306	0	38	-1.0	-46.42	320.49	-0.03	-46.45
O=C(NCCNC(=O)C1CC12CCC2)C1=CC(=O)[N-]O1	REAL250005044307	0	36	-1.0	-46.68	310.73	0.35	-46.33
CC1=CC=NN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044308	0	35	-1.0	-53.22	314.88	-1.49	-54.71
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005044309	0	34	-1.0	-46.83	306.72	-1.04	-47.87
O=C(CC1=CSC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044310	0	31	-1.0	-51.49	296.39	-2.21	-53.70
CN(C)C(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044311	0	35	-1.0	-58.46	306.76	-1.37	-59.83
CN1C=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044312	0	32	-1.0	-50.42	293.91	-2.27	-52.69
CC1=NC=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044313	0	35	-1.0	-54.60	314.49	-0.50	-55.10
CC1=[NH+]C=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044313	1	36	0.0	-66.54	317.92	-0.03	-66.57
CCN1C=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044314	0	36	-1.0	-47.61	315.05	0.26	-47.35
O=C(CC1CCCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044315	0	39	-1.0	-49.35	323.74	-1.49	-50.84
O=C(NCCNC(=O)C1CCC=CCC1)C1=CC(=O)[N-]O1	REAL250005044316	0	39	-1.0	-46.69	320.07	0.66	-46.03
CC1=NC=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044317	0	33	-1.0	-46.68	302.39	-2.02	-48.70
COCCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044318	0	38	-1.0	-49.07	324.24	-1.99	-51.06
CCOC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044319	0	39	-1.0	-49.54	335.19	0.24	-49.30
O=C(CN1N=CN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044320	0	30	-1.0	-55.03	283.23	-3.20	-58.23
CCCC[C@@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044321	0	40	-1.0	-46.55	333.57	0.50	-46.05
C=CCC(CC=C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044322	0	39	-1.0	-46.64	335.15	0.53	-46.11
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC=CCC1	REAL250005044323	0	39	-1.0	-47.05	321.79	0.47	-46.58
CCC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044324	0	40	-1.0	-45.69	320.32	0.00	-45.69
CC(C)C(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044325	0	40	-1.0	-46.12	318.08	-0.18	-46.30
C=CC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044326	0	38	-1.0	-45.53	314.75	-0.08	-45.61
O=C(CN1N=CC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044327	0	31	-1.0	-53.98	288.52	-3.58	-57.56
O=C(CCC1=CNN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044328	0	35	-1.0	-49.90	314.16	-2.10	-52.00
O=C(NCCNC(=O)[C@@H]1C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL250005044329	0	36	-1.0	-46.79	316.99	0.66	-46.13
O=C(NCCNC(=O)[C@@H]1C[C@H]1C1CCC1)C1=CC(=O)[N-]O1	REAL250005044330	0	39	-1.0	-46.70	333.65	1.18	-45.52
C[C@@H]1[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL250005044331	0	41	0.0	-73.18	325.08	-0.67	-73.85
C[C@@H]1[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL250005044331	1	41	0.0	-70.49	330.56	-0.15	-70.64
CCC(C)(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044332	0	40	-1.0	-46.67	321.49	-0.15	-46.82
O=C(NCCNC(=O)C1C=CC=CC=C1)C1=CC(=O)[N-]O1	REAL250005044333	0	35	-1.0	-47.12	303.37	0.30	-46.82
C=C(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044334	0	35	-1.0	-46.63	308.56	-0.38	-47.01
O=C(NCCNC(=O)C1=CC=NS1)C1=CC(=O)[N-]O1	REAL250005044335	0	28	-1.0	-46.76	275.51	-2.41	-49.17
CCC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044336	0	39	-1.0	-50.41	331.18	-0.20	-50.61
COCCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044337	0	39	-1.0	-47.21	339.54	-1.33	-48.54
CC(C)CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044338	0	41	-1.0	-46.59	343.24	0.76	-45.83
COCC(C)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044339	0	41	-1.0	-48.29	339.19	-1.39	-49.68
O=C(CC1CCNC1=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044340	0	36	-1.0	-58.42	311.89	-2.74	-61.16
O=C(NCCNC(=O)[C@]12C[C@H]1COC2)C1=CC(=O)[N-]O1	REAL250005044341	0	34	-1.0	-48.41	299.32	-2.37	-50.78
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044343	0	32	-1.0	-46.61	281.17	-0.99	-47.60
CC1CCCC1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044344	0	41	-1.0	-46.66	330.49	0.69	-45.97
CCC(=O)NC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044345	0	38	-1.0	-48.52	331.43	-3.02	-51.54
CN1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1=O	REAL250005044346	0	36	-1.0	-54.93	315.41	-2.47	-57.40
CNC(=O)NCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044347	0	34	-1.0	-50.09	306.43	-6.03	-56.12
O=C(NCCNC(=O)[C@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005044348	0	33	-1.0	-50.41	288.92	-1.79	-52.20
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044349	0	38	-1.0	-46.25	320.79	0.45	-45.80
CC1=NC=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044350	0	34	-1.0	-53.47	310.32	-3.77	-57.24
C[NH+](C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044351	0	41	0.0	-71.74	322.67	-0.48	-72.22
CC(C)(C(N)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044352	0	35	-1.0	-57.54	302.92	-3.52	-61.06
CC(C)[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044353	0	43	0.0	-67.56	334.73	0.87	-66.69
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N(C)C=N1	REAL250005044354	0	35	-1.0	-50.19	315.04	-0.43	-50.62
O=C(CC1=CN=CS1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044355	0	31	-1.0	-50.43	297.67	-2.12	-52.55
O=C(NCCNC(=O)C1=CC(=O)NN=C1)C1=CC(=O)[N-]O1	REAL250005044356	0	31	-1.0	-51.67	288.22	-4.52	-56.19
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC(=O)N1	REAL250005044357	0	33	-1.0	-49.75	297.97	-4.73	-54.48
O=C(NCCNC(=O)C1(C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005044358	0	36	-1.0	-46.58	305.09	0.60	-45.98
COC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044359	0	36	-1.0	-46.38	313.01	-2.10	-48.48
O=C(NCCNC(=O)[C@H]1CCCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005044360	0	36	-1.0	-54.05	312.72	-3.54	-57.59
O=C(CCC1=CNC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044361	0	35	-1.0	-50.89	313.62	-1.03	-51.92
O=C(CCC1=CN=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044361	1	35	-1.0	-50.64	313.69	-1.06	-51.70
C[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005044362	0	41	0.0	-67.63	334.70	0.34	-67.29
C[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005044362	1	41	0.0	-67.94	334.60	0.33	-67.61
CN(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005044362	1	40	-1.0	-46.96	332.86	-1.87	-48.83
O=C(NCCNC(=O)C1=CC=C(F)C=N1)C1=CC(=O)[N-]O1	REAL250005044363	0	31	-1.0	-45.78	291.91	-1.69	-47.47
C=CCCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044364	0	36	-1.0	-49.99	321.78	-0.67	-50.66
C=CCOC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044365	0	36	-1.0	-50.23	320.17	-0.76	-50.99
CC1=CN=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044366	0	34	-1.0	-47.38	299.72	-1.16	-48.54
O=C(NCCNC(=O)C1CCC1(F)F)C1=CC(=O)[N-]O1	REAL250005044367	0	32	-1.0	-51.55	290.70	-0.89	-52.44
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=NSC=C1	REAL250005044368	0	28	-1.0	-46.96	274.77	-2.58	-49.54
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005044369	0	38	-1.0	-46.43	318.75	0.30	-46.13
O=C(CC1C=CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044370	0	39	-1.0	-47.38	325.03	0.79	-46.59
CCOCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044371	0	39	-1.0	-49.10	339.97	-1.06	-50.16
O=C(NCCNC(=O)C1CC2C=CC1O2)C1=CC(=O)[N-]O1	REAL250005044372	0	35	-1.0	-50.36	304.11	-2.05	-52.41
COC1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044373	0	39	-1.0	-47.70	330.25	-1.46	-49.16
CC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CO1	REAL250005044374	0	36	-1.0	-48.43	308.04	-2.21	-50.64
O=C(NCCNC(=O)C1CCCC2CC21)C1=CC(=O)[N-]O1	REAL250005044375	0	39	-1.0	-46.59	321.17	0.76	-45.83
O=C(CC1CCC2CC21)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044376	0	39	-1.0	-46.38	324.51	0.95	-45.43
O=C(NCCNC(=O)C1CCC2CC2C1)C1=CC(=O)[N-]O1	REAL250005044377	0	39	-1.0	-46.35	321.33	0.85	-45.50
CCC(C)C(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044378	0	41	-1.0	-44.64	339.55	-0.98	-45.62
COC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044379	0	39	-1.0	-47.36	329.57	-1.45	-48.81
C[C@@H]1OCCO[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044380	0	37	-1.0	-49.21	305.98	-1.69	-50.90
CC[C@@H]1CCO[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044381	0	39	-1.0	-50.30	322.41	0.11	-50.19
CC1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1C1CC1	REAL250005044382	0	39	-1.0	-45.40	330.02	1.26	-44.14
O=C(NCCNC(=O)C1CCCC12CC2)C1=CC(=O)[N-]O1	REAL250005044383	0	39	-1.0	-46.71	326.49	0.73	-45.98
CC(C)OCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044384	0	41	-1.0	-49.49	350.20	-0.81	-50.30
NC(=O)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044385	0	35	-1.0	-57.88	312.08	-4.75	-62.63
C[NH+]1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044386	0	41	0.0	-73.93	333.07	0.02	-73.91
CCC(CC)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044387	0	43	-1.0	-45.40	337.07	0.79	-44.61
O=C(NCCNC(=O)C1(F)CCCC1)C1=CC(=O)[N-]O1	REAL250005044388	0	35	-1.0	-45.25	302.10	-0.49	-45.74
CN1C=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044389	0	32	-1.0	-49.31	288.46	-0.93	-50.24
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005044390	0	40	-1.0	-45.49	318.36	-0.09	-45.58
O=C(NCCNC(=O)C12CCC(CC1)C2)C1=CC(=O)[N-]O1	REAL250005044391	0	39	-1.0	-46.49	321.51	0.44	-46.05
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044392	0	41	0.0	-67.47	321.12	-0.22	-67.69
C[N@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044392	1	41	0.0	-67.54	321.14	-0.21	-67.75
CN1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044392	1	40	-1.0	-46.92	327.48	-2.27	-49.19
O=C(CC1=CC=CN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044393	0	34	-1.0	-51.01	307.74	-1.17	-52.18
CCC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044394	0	35	-1.0	-46.69	315.92	-0.44	-47.13
CC(F)(F)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044395	0	34	-1.0	-46.37	307.01	-0.68	-47.05
O=C(NCCNC(=O)C1CCC(=O)NC1)C1=CC(=O)[N-]O1	REAL250005044396	0	36	-1.0	-51.40	311.24	-3.81	-55.21
CCC1=NNC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044397	0	35	-1.0	-50.96	309.98	-2.30	-53.26
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=NNN=C1	REAL250005044398	0	28	-1.0	-46.53	265.81	-5.03	-51.56
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=NN1	REAL250005044398	1	28	-1.0	-48.54	264.91	-4.96	-53.50
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005044399	0	32	-1.0	-50.45	288.21	-1.90	-52.35
O=C(CC1CCC(=O)N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044400	0	36	-1.0	-54.40	314.14	-3.69	-58.09
CNC(=O)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044401	0	36	-1.0	-47.34	324.17	-3.61	-50.95
COCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044402	0	36	-1.0	-49.59	319.34	-2.05	-51.64
COCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044403	0	38	-1.0	-46.08	322.93	-1.92	-48.00
O=C(CCC1=NOC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044404	0	34	-1.0	-49.41	309.28	-1.28	-50.69
CN1N=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044405	0	31	-1.0	-47.82	288.87	-3.93	-51.75
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL250005044406	0	32	-1.0	-47.86	301.49	-0.33	-48.19
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005044407	0	39	-1.0	-47.16	317.95	-1.79	-48.95
CC(C)CC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044408	0	43	-1.0	-46.35	348.01	0.92	-45.43
CC1=CN=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044409	0	35	-1.0	-54.26	314.82	0.19	-54.07
CC1=C[NH+]=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044409	1	36	0.0	-69.24	318.25	0.70	-68.54
O=C(CCC(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044410	0	31	-1.0	-49.37	287.06	-1.32	-50.69
COCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044411	0	39	-1.0	-46.17	326.92	-0.85	-47.02
CC(CC(F)F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044412	0	34	-1.0	-48.47	301.11	-0.83	-49.30
CC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044413	0	35	-1.0	-46.79	303.83	-0.33	-47.12
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CNC(=O)C1	REAL250005044414	0	36	-1.0	-50.20	312.35	-4.29	-54.49
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC2CC2C1	REAL250005044415	0	39	-1.0	-46.66	324.67	0.72	-45.94
O=C(NCCNC(=O)C1(CCF)CC1)C1=CC(=O)[N-]O1	REAL250005044416	0	35	-1.0	-47.02	312.46	-0.27	-47.29
COCC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044417	0	41	-1.0	-47.82	337.69	-1.27	-49.09
O=C(COCC(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044418	0	32	-1.0	-55.96	300.49	-1.73	-57.69
C[N@@H+]1CCC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044419	0	41	0.0	-72.97	335.02	-0.06	-73.03
C[N@H+]1CCC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044419	1	41	0.0	-71.90	334.65	-0.03	-71.93
CN1C=NC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044420	0	35	-1.0	-54.34	312.68	-0.29	-54.63
CCN1C=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044421	0	35	-1.0	-50.09	315.67	0.08	-50.01
CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044422	0	40	0.0	-66.77	319.14	-0.64	-67.41
O=C(NCCNC(=O)C1(C2CC2)CCC1)C1=CC(=O)[N-]O1	REAL250005044423	0	39	-1.0	-46.47	320.88	0.89	-45.58
CC(C)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005044424	0	41	-1.0	-46.75	330.04	0.56	-46.19
COC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005044425	0	39	-1.0	-48.37	331.71	-0.06	-48.43
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSN=N1	REAL250005044426	0	27	-1.0	-47.29	270.27	-3.69	-50.98
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005044427	0	38	-1.0	-46.59	314.23	0.05	-46.54
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=CO1	REAL250005044428	0	28	-1.0	-48.26	267.30	-5.35	-53.61
O=C(CCN1C=CN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044429	0	35	-1.0	-49.69	314.79	0.20	-49.49
CC1=NN=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044430	0	33	-1.0	-50.07	294.89	-2.25	-52.32
CC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C(C)O1	REAL250005044431	0	39	-1.0	-48.92	328.78	-1.51	-50.43
CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044432	0	41	-1.0	-46.62	339.29	0.73	-45.89
CC1CC1C1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044433	0	39	-1.0	-46.72	332.51	1.11	-45.61
CCC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005044434	0	34	-1.0	-46.71	310.42	-1.19	-47.90
CCC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005044435	0	43	-1.0	-46.25	341.11	0.62	-45.63
C[NH+](C)CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044436	0	43	0.0	-72.75	353.85	0.49	-72.26
O=C(NCCNC(=O)[C@@H]1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005044437	0	33	-1.0	-54.66	295.20	-4.47	-59.13
C[C@H]1CC[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044438	0	41	-1.0	-46.26	334.91	0.82	-45.44
CC(C)C(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044439	0	43	0.0	-67.94	337.54	0.62	-67.32
CCC[N@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044440	0	43	0.0	-72.22	350.08	0.31	-71.91
CCC[N@@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044440	1	43	0.0	-72.18	350.08	0.32	-71.86
CCC[N@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044441	0	40	0.0	-69.82	327.71	-0.23	-70.05
CCC[N@@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044441	1	40	0.0	-69.86	327.71	-0.23	-70.09
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005044442	0	43	-1.0	-46.33	339.11	0.40	-45.93
CC1=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005044443	0	35	-1.0	-53.74	313.29	-1.32	-55.06
CC1=NNC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044444	0	32	-1.0	-51.19	288.50	-3.02	-54.21
C#CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005044445	0	34	-1.0	-48.52	315.49	1.14	-47.38
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005044446	0	31	-1.0	-48.10	283.18	-4.35	-52.45
CC1=NNN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044446	1	31	-1.0	-46.21	284.40	-4.43	-50.64
CCCC(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044447	0	38	-1.0	-48.44	328.11	-0.67	-49.11
C=C(C)C(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044448	0	38	-1.0	-46.36	316.17	-0.18	-46.54
CC(CC(N)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044449	0	35	-1.0	-48.43	305.91	-4.91	-53.34
NC(=O)C1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044450	0	36	-1.0	-51.69	316.66	-4.44	-56.13
O=C(NCCNC(=O)C1CCNC1=O)C1=CC(=O)[N-]O1	REAL250005044451	0	33	-1.0	-48.61	293.45	-4.77	-53.38
CN1C(=O)NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044452	0	33	-1.0	-54.97	298.14	-3.38	-58.35
CN1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC1=O	REAL250005044453	0	35	-1.0	-57.01	311.14	-4.61	-61.62
C=CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044454	0	35	-1.0	-46.79	300.09	-0.73	-47.52
C#CCCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044455	0	39	-1.0	-49.18	344.68	1.27	-47.91
C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044456	0	38	0.0	-68.68	308.48	-1.09	-69.77
C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044456	1	38	0.0	-66.67	314.77	-0.57	-67.24
CN1CCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044456	1	37	-1.0	-48.24	313.76	-2.98	-51.22
C[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044457	0	32	-1.0	-46.80	284.79	-0.92	-47.72
O=C(CC1CC=CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044458	0	39	-1.0	-47.32	324.85	0.81	-46.51
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044459	0	35	-1.0	-46.61	296.82	-0.57	-47.18
O=C(C[C@@H]1C[C@H]1C1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044460	0	39	-1.0	-47.32	337.40	1.45	-45.87
CC1COC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044461	0	36	-1.0	-50.42	309.70	-1.20	-51.62
O=C(NCCNC(=O)[C@]12C[C@H]1CCC2)C1=CC(=O)[N-]O1	REAL250005044462	0	36	-1.0	-46.84	308.03	0.21	-46.63
CC[C@@H]1OCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044463	0	39	-1.0	-47.37	330.21	-1.47	-48.84
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005044464	0	35	-1.0	-50.26	309.69	-1.18	-51.44
CC1=NNC(C)=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044465	0	35	-1.0	-49.06	315.29	-2.55	-51.61
CC1=NC=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044466	0	34	-1.0	-48.59	299.59	-1.17	-49.76
CC(C)CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044467	0	43	-1.0	-46.94	356.46	1.26	-45.68
CC[NH+](CC)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044468	0	40	0.0	-68.05	320.07	-0.56	-68.61
CCC(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044469	0	31	-1.0	-47.54	280.67	-1.56	-49.10
O=C(CCCF)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044470	0	31	-1.0	-49.69	280.99	-1.45	-51.14
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(F)(F)F	REAL250005044471	0	31	-1.0	-49.24	288.27	-1.33	-50.57
CC1=COC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044472	0	32	-1.0	-49.97	290.54	-1.39	-51.36
C[C@H]1C[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044473	0	32	-1.0	-46.79	284.80	-0.92	-47.71
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CCC1	REAL250005044474	0	36	-1.0	-46.40	307.18	-0.05	-46.45
CN1C(=O)CC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044475	0	36	-1.0	-54.60	314.06	-2.39	-56.99
CN1N=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044476	0	30	-1.0	-49.86	283.75	-4.35	-54.21
CC1(C)CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044477	0	41	-1.0	-46.36	331.61	0.59	-45.77
CC1CCC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044478	0	41	-1.0	-46.71	336.65	0.88	-45.83
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N(C)N=C1	REAL250005044479	0	35	-1.0	-48.05	315.21	-1.76	-49.81
CC(C)C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044480	0	34	-1.0	-48.19	299.89	-1.06	-49.25
CCCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044481	0	41	-1.0	-46.64	338.37	0.69	-45.95
C=CC(C)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044482	0	38	-1.0	-45.89	320.97	0.09	-45.80
CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044483	0	38	-1.0	-46.69	316.86	-0.07	-46.76
O=C(NCCNC(=O)C1CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL250005044484	0	39	-1.0	-46.46	328.49	0.77	-45.69
CC#CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044485	0	36	-1.0	-50.52	323.50	0.66	-49.86
O=C(NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=CC(=O)[N-]O1	REAL250005044486	0	34	-1.0	-46.51	299.17	-2.20	-48.71
O=C(CCCC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044487	0	38	-1.0	-47.24	327.51	0.76	-46.48
CN1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1=O	REAL250005044488	0	36	-1.0	-48.91	315.49	-2.49	-51.40
CCCC(OCC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044489	0	41	-1.0	-48.40	349.19	0.32	-48.08
CC1(C)CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044490	0	38	-1.0	-46.10	315.21	0.00	-46.10
CC1=COC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044491	0	32	-1.0	-47.36	294.41	-1.35	-48.71
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC(=O)N1	REAL250005044492	0	29	-1.0	-50.53	284.24	-4.24	-54.77
C=CC(CC)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044493	0	38	-1.0	-46.63	322.78	0.19	-46.44
CC(C)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044494	0	38	-1.0	-47.04	314.48	0.11	-46.93
O=C(NCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1=CC(=O)[N-]O1	REAL250005044495	0	36	-1.0	-46.64	307.33	0.26	-46.38
O=C(CC1=CON=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044496	0	31	-1.0	-52.01	287.89	-1.98	-53.99
CN1C(=O)CC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044497	0	36	-1.0	-54.37	312.61	-2.37	-56.74
CC1(C)CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044498	0	41	-1.0	-47.06	341.09	0.79	-46.27
O=C(NCCNC(=O)C1(F)CCOC1)C1=CC(=O)[N-]O1	REAL250005044499	0	33	-1.0	-45.97	293.09	-3.07	-49.04
CC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1C	REAL250005044500	0	35	-1.0	-49.37	308.91	-1.10	-50.47
CC(C)(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044501	0	40	-1.0	-46.75	329.63	0.10	-46.65
O=C(NCCNC(=O)C1=CC=NC=N1)C1=CC(=O)[N-]O1	REAL250005044502	0	30	-1.0	-46.71	280.55	-1.98	-48.69
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL250005044503	0	34	-1.0	-48.23	305.08	-1.20	-49.43
O=C(CC1=CC=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044504	0	32	-1.0	-50.96	293.66	-1.24	-52.20
O=C(NCCNC(=O)C1=NC=CC=N1)C1=CC(=O)[N-]O1	REAL250005044505	0	30	-1.0	-51.97	281.12	-2.58	-54.55
CCC(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044506	0	40	-1.0	-46.82	331.69	0.35	-46.47
O=C(NCCNC(=O)C1=CC=CN=N1)C1=CC(=O)[N-]O1	REAL250005044507	0	30	-1.0	-49.07	280.56	-2.91	-51.98
CC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C(C)O1	REAL250005044508	0	34	-1.0	-47.22	307.29	-3.89	-51.11
O=C(CCN1C=NN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044509	0	33	-1.0	-52.62	303.83	-2.22	-54.84
O=C(NCCNC(=O)C1=NC=CC=C1F)C1=CC(=O)[N-]O1	REAL250005044510	0	31	-1.0	-51.05	290.06	-1.68	-52.73
CC1OCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044511	0	36	-1.0	-48.88	303.46	-2.29	-51.17
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCOC1	REAL250005044512	0	36	-1.0	-46.69	305.37	-2.54	-49.23
CCC(CC)(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044513	0	43	-1.0	-46.74	337.43	0.33	-46.41
CC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005044514	0	39	-1.0	-47.61	320.21	-1.56	-49.17
CCCC(C)(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044515	0	43	-1.0	-46.67	342.99	0.62	-46.05
CCC(CC)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044516	0	40	-1.0	-46.54	323.49	0.18	-46.36
CCC(C)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044517	0	40	-1.0	-46.06	324.48	0.15	-45.91
CCCC(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044518	0	40	-1.0	-46.46	333.07	0.25	-46.21
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(=O)NCC1CC1	REAL250005044519	0	36	-1.0	-45.31	323.20	-3.14	-48.45
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCOC1	REAL250005044520	0	39	-1.0	-48.20	319.15	-1.64	-49.84
O=C(NCCNC(=O)C1CCC(F)C1)C1=CC(=O)[N-]O1	REAL250005044521	0	35	-1.0	-47.27	302.96	-0.39	-47.66
C[NH+](C)CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044522	0	41	0.0	-70.58	340.12	0.13	-70.45
O=C(NCCNC(=O)C1=CNC(=O)C=N1)C1=CC(=O)[N-]O1	REAL250005044523	0	31	-1.0	-49.17	290.08	-4.89	-54.06
CCCC(CCC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044524	0	43	-1.0	-46.52	350.01	0.93	-45.59
CC1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044525	0	41	-1.0	-45.82	330.23	0.76	-45.06
CC1CCCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044526	0	41	-1.0	-46.39	334.92	0.82	-45.57
CC1=NC=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044527	0	34	-1.0	-48.59	299.59	-1.17	-49.76
C=CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044528	0	35	-1.0	-47.33	308.71	-0.25	-47.58
CCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044529	0	37	-1.0	-46.65	305.56	-0.63	-47.28
CCCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044530	0	40	-1.0	-46.71	327.06	0.14	-46.57
NC(=O)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044531	0	33	-1.0	-47.42	300.47	-5.07	-52.49
CC1=NOC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044532	0	31	-1.0	-49.99	285.73	-2.01	-52.00
CCN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005044533	0	34	-1.0	-49.51	310.93	-2.87	-52.38
CCC1(C)CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044534	0	38	-1.0	-46.12	317.08	0.28	-45.84
CC(C)C1(C)CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044535	0	41	-1.0	-45.97	331.78	0.72	-45.25
COCC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044536	0	38	-1.0	-48.87	324.07	-1.89	-50.76
COCCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044537	0	41	-1.0	-48.97	339.23	-1.55	-50.52
CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005044538	0	41	-1.0	-46.79	331.94	0.68	-46.11
CC1=NON=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044539	0	33	-1.0	-56.46	305.13	-2.85	-59.31
CC1(CCC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044540	0	38	-1.0	-46.95	322.36	0.33	-46.62
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005044541	0	31	-1.0	-46.01	285.52	-1.94	-47.95
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005044542	0	41	-1.0	-46.35	326.44	0.58	-45.77
C[NH+]1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044543	0	41	0.0	-73.93	333.07	0.02	-73.91
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC=CC1	REAL250005044544	0	36	-1.0	-46.90	306.85	-0.05	-46.95
CN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC1=O	REAL250005044545	0	33	-1.0	-51.08	302.03	-3.25	-54.33
COC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005044546	0	38	-1.0	-49.09	321.10	-0.98	-50.07
CC1CC1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044547	0	35	-1.0	-47.26	305.22	-0.15	-47.41
CCCCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044548	0	41	-1.0	-46.81	348.88	1.16	-45.65
C=C1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044549	0	39	-1.0	-46.64	326.41	0.64	-46.00
C=CCCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044550	0	39	-1.0	-46.90	340.36	0.94	-45.96
C=CC(C)(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044551	0	38	-1.0	-46.53	311.01	0.39	-46.14
O=C(NCCNC(=O)C1CCC(F)CC1)C1=CC(=O)[N-]O1	REAL250005044552	0	38	-1.0	-49.53	318.85	0.22	-49.31
O=C(C[C@H]1CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044553	0	36	-1.0	-49.18	307.10	-2.30	-51.48
C=CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044554	0	39	-1.0	-46.89	331.28	0.52	-46.37
O=C(CC1=CCOCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044555	0	37	-1.0	-47.97	319.92	-1.56	-49.53
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005044556	0	35	-1.0	-47.21	311.71	-0.62	-47.83
CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044557	0	35	-1.0	-46.73	305.62	-0.38	-47.11
CC(C)[C@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044558	0	43	0.0	-67.99	337.54	0.62	-67.37
CCC1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044559	0	41	-1.0	-46.61	332.16	0.76	-45.85
CC1CCCC1(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044560	0	41	-1.0	-46.74	327.51	1.12	-45.62
CC(F)(F)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044561	0	31	-1.0	-52.68	284.80	-1.39	-54.07
COC(CC(C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044562	0	41	-1.0	-48.67	338.35	0.13	-48.54
CCCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044563	0	38	-1.0	-46.68	327.38	0.38	-46.30
C[C@@]1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC(=O)N1	REAL250005044564	0	36	-1.0	-49.89	313.16	-3.73	-53.62
CCC1=NOC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044565	0	34	-1.0	-49.82	307.21	-1.28	-51.10
CC1COCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044566	0	39	-1.0	-47.56	321.81	-1.65	-49.21
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=C(Cl)N1	REAL250005044567	0	30	-1.0	-46.34	292.47	-1.86	-48.20
COCC(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044568	0	36	-1.0	-49.16	315.78	-2.82	-51.98
CC1(C)CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044569	0	41	-1.0	-46.58	336.55	0.68	-45.90
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCCO1	REAL250005044570	0	39	-1.0	-50.09	325.10	-0.57	-50.66
CCC[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044571	0	38	-1.0	-46.68	327.70	0.63	-46.05
O=C(NCCNC(=O)C12CC1CCCC2)C1=CC(=O)[N-]O1	REAL250005044572	0	39	-1.0	-46.57	321.03	0.74	-45.83
CC(C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044573	0	38	-1.0	-46.56	318.01	-0.01	-46.57
C=C1CC(C)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044574	0	36	-1.0	-46.28	310.89	-0.04	-46.32
CC(C)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(F)F	REAL250005044575	0	34	-1.0	-47.41	300.96	-0.94	-48.35
CC1=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005044576	0	35	-1.0	-50.87	314.21	-0.60	-51.47
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005044577	0	34	-1.0	-47.87	306.74	-4.00	-51.87
O=C(NCCNC(=O)C1(CF)CC1)C1=CC(=O)[N-]O1	REAL250005044578	0	32	-1.0	-46.20	285.89	-0.88	-47.08
O=C(NCCNC(=O)C1CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL250005044579	0	36	-1.0	-46.51	311.99	0.30	-46.21
CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044580	0	34	-1.0	-46.52	291.33	-1.12	-47.64
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005044581	0	35	-1.0	-47.78	309.69	0.62	-47.16
O=C(NCCNC(=O)C1=CNC(=O)C=C1)C1=CC(=O)[N-]O1	REAL250005044582	0	32	-1.0	-51.43	292.90	-3.13	-54.56
CCCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044583	0	40	-1.0	-46.96	338.89	0.75	-46.21
O=C(NCCNC(=O)C1(F)CCCCC1)C1=CC(=O)[N-]O1	REAL250005044584	0	38	-1.0	-45.23	319.40	0.14	-45.09
CC[N@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044585	0	40	0.0	-71.46	328.58	-0.43	-71.89
CC[N@@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044585	1	40	0.0	-71.48	328.58	-0.43	-71.91
O=C(NCCNC(=O)C1CC12CCCC2)C1=CC(=O)[N-]O1	REAL250005044586	0	39	-1.0	-46.45	325.92	0.93	-45.52
CC1=CON=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044587	0	31	-1.0	-48.00	285.82	-2.13	-50.13
O=C(NCCNC(=O)C1CC12CCOC2)C1=CC(=O)[N-]O1	REAL250005044588	0	37	-1.0	-47.73	319.39	-1.79	-49.52
COCCCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044589	0	41	-1.0	-47.29	345.74	-1.21	-48.50
CCC(CC(C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044590	0	43	-1.0	-46.57	345.02	0.67	-45.90
CC(C)CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044591	0	43	-1.0	-45.88	339.27	0.64	-45.24
NC(=O)CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044592	0	38	-1.0	-51.82	333.58	-3.96	-55.78
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL250005044593	0	35	-1.0	-50.70	312.76	-0.22	-50.92
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCNC1=O	REAL250005044594	0	36	-1.0	-48.10	312.01	-4.26	-52.36
CC1CCC[N@@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044595	0	41	0.0	-66.37	327.19	-0.25	-66.62
CC1CCC[N@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044595	1	41	0.0	-67.07	333.65	0.12	-66.95
CC1CC[N@H+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044596	0	41	0.0	-69.13	334.36	0.12	-69.01
CC1CC[N@@H+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044596	1	41	0.0	-69.16	333.87	0.10	-69.06
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044597	0	33	-1.0	-52.99	299.17	-4.92	-57.91
CC[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044598	0	40	0.0	-66.74	319.14	-0.65	-67.39
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)(F)F	REAL250005044599	0	34	-1.0	-52.15	300.00	-0.91	-53.06
CC1=NC(C)=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005044600	0	35	-1.0	-49.74	310.20	-2.07	-51.81
CC1=NN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005044601	0	35	-1.0	-55.49	315.04	-1.38	-56.87
O=C(CCC1=NNN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044602	0	34	-1.0	-48.63	308.10	-3.51	-52.14
O=C(CCC1=CNN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044602	1	34	-1.0	-51.84	308.20	-3.43	-55.27
O=C(NCCNC(=O)C1(CF)CCC1)C1=CC(=O)[N-]O1	REAL250005044603	0	35	-1.0	-46.08	300.18	-0.49	-46.57
C=C[C@@H]1OCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044604	0	37	-1.0	-47.41	321.89	-1.72	-49.13
CC(C)C[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044605	0	41	-1.0	-46.69	346.95	1.17	-45.52
O=C(CN1C=NC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044606	0	31	-1.0	-57.11	287.87	-0.51	-57.62
O=C(NCCNC(=O)C(C1CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005044607	0	39	-1.0	-46.43	336.70	1.21	-45.22
O=C(CC1=NNC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044608	0	31	-1.0	-54.72	287.52	-2.52	-57.24
O=C(CC1=NN=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044608	1	31	-1.0	-60.24	286.13	-1.97	-62.21
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL250005044609	0	41	-1.0	-46.50	333.80	0.84	-45.66
CCCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005044610	0	43	-1.0	-46.23	344.53	1.11	-45.12
CC(C)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044611	0	37	-1.0	-46.05	306.47	-0.48	-46.53
CC[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044612	0	35	-1.0	-46.79	306.20	-0.16	-46.95
O=C(NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1=CC(=O)[N-]O1	REAL250005044613	0	37	-1.0	-50.32	311.05	-1.94	-52.26
CCC(NC(C)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044614	0	38	-1.0	-48.12	324.80	-3.22	-51.34
CC(C)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044615	0	40	-1.0	-46.85	334.96	0.48	-46.37
O=C(NCCNC(=O)C1CC12CC2)C1=CC(=O)[N-]O1	REAL250005044616	0	33	-1.0	-47.15	295.86	-0.12	-47.27
O=C(CC1=CNC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044617	0	32	-1.0	-54.76	291.43	-1.70	-56.46
O=C(CC1=CN=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044617	1	32	-1.0	-53.76	292.29	-1.89	-55.65
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1C	REAL250005044618	0	35	-1.0	-50.26	313.24	-1.79	-52.05
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CN=N1	REAL250005044619	0	33	-1.0	-48.82	300.10	-2.28	-51.10
O=C(NCCNC(=O)[C@@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005044620	0	30	-1.0	-54.43	277.84	-5.67	-60.10
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCS1	REAL250005044621	0	36	-1.0	-46.07	315.39	-0.08	-46.15
O=C(NCCNC(=O)C1=CCCCC1)C1=CC(=O)[N-]O1	REAL250005044622	0	36	-1.0	-46.63	304.30	0.18	-46.45
CC(=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005044623	0	38	-1.0	-45.78	320.87	0.21	-45.57
CC(C)OC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044624	0	41	-1.0	-50.11	336.89	-0.23	-50.34
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCCO1	REAL250005044625	0	39	-1.0	-44.93	319.85	-1.22	-46.15
CCC(CC)(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044626	0	41	-1.0	-50.17	331.40	-3.41	-53.58
O=C(NCCNC(=O)C1CCCSC1)C1=CC(=O)[N-]O1	REAL250005044627	0	36	-1.0	-46.16	313.85	-0.07	-46.23
O=C(NCCNC(=O)[C@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005044628	0	30	-1.0	-54.91	277.36	-6.01	-60.92
O=C(CN1C=NC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044629	0	31	-1.0	-57.11	287.87	-0.51	-57.62
COC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044630	0	33	-1.0	-45.25	294.03	-2.52	-47.77
O=C(NCCNC(=O)C1CSC1)C1=CC(=O)[N-]O1	REAL250005044631	0	30	-1.0	-47.09	279.50	-1.44	-48.53
O=C(NCCNC(=O)C1(O)CCCC1)C1=CC(=O)[N-]O1	REAL250005044632	0	36	-1.0	-47.40	304.20	-3.51	-50.91
C[NH+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044633	0	34	0.0	-70.26	288.49	-1.64	-71.90
CN(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044633	1	33	-1.0	-47.50	286.40	-4.03	-51.53
CN1C=C[N+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044634	0	36	0.0	-67.67	319.72	1.86	-65.81
CC1=NC=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044635	0	33	-1.0	-47.54	296.57	-2.99	-50.53
CCOC1C(C)C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044636	0	39	-1.0	-50.33	339.60	-0.96	-51.29
C[N@@H+]1CCCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044637	0	41	0.0	-70.56	333.08	-0.01	-70.57
C[N@H+]1CCCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044637	1	41	0.0	-64.08	326.79	0.18	-63.90
C=CC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044638	0	30	-1.0	-47.36	276.90	-3.95	-51.31
[N-]=[N+]=NCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044639	0	33	-1.0	-49.82	304.53	-4.94	-54.76
CC(O)C(F)(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044640	0	32	-1.0	-46.94	293.49	-3.33	-50.27
CC1(C)COC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044641	0	36	-1.0	-50.13	310.10	-1.48	-51.61
CN1N=NC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044642	0	34	-1.0	-56.80	307.29	-3.06	-59.86
CC1=NN(C)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044643	0	34	-1.0	-46.52	306.35	-1.76	-48.28
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005044644	0	37	-1.0	-48.07	312.50	-3.72	-51.79
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005044644	1	38	0.0	-67.92	318.49	-0.72	-68.64
O=C(NCCNC(=O)[C@H]1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005044645	0	29	-1.0	-50.00	274.91	-1.39	-51.39
O=C(CC1=CNN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044646	0	32	-1.0	-51.84	292.76	-2.90	-54.74
C[NH+](C)CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044647	0	43	0.0	-66.17	336.01	0.06	-66.11
CC(C)NC(=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044648	0	35	-1.0	-45.69	312.29	-3.87	-49.56
C=C(Cl)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044649	0	32	-1.0	-46.68	304.23	-0.50	-47.18
CCC(CCOC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044650	0	41	-1.0	-48.25	345.24	-1.45	-49.70
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005044651	0	34	-1.0	-46.68	296.50	-1.70	-48.38
O=C(NCCNC(=O)C1=COC(=O)C=C1)C1=CC(=O)[N-]O1	REAL250005044652	0	31	-1.0	-50.91	289.22	-0.91	-51.82
O=C(C=C1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044653	0	36	-1.0	-46.77	308.32	0.24	-46.53
C[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044654	0	38	0.0	-66.89	317.75	-0.24	-67.13
C[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044654	1	38	0.0	-67.44	317.89	-0.23	-67.67
CN(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044654	1	37	-1.0	-47.57	311.78	-2.63	-50.20
O=C(NCCNC(=O)C1(CO)COC1)C1=CC(=O)[N-]O1	REAL250005044655	0	34	-1.0	-50.32	296.47	-5.96	-56.28
CC(C)=CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044656	0	38	-1.0	-46.66	325.93	0.38	-46.28
CC=C(C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005044657	0	39	-1.0	-46.82	336.85	0.85	-45.97
O=C(NCCNC(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005044658	0	30	-1.0	-47.54	270.26	-3.85	-51.39
O=C(C=CC1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044659	0	39	-1.0	-46.66	331.80	0.91	-45.75
CC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044660	0	36	-1.0	-50.46	310.24	-0.99	-51.45
O=C(NCCNC(=O)C1CCCCS1)C1=CC(=O)[N-]O1	REAL250005044661	0	36	-1.0	-47.44	315.81	-0.08	-47.52
CC1=NOC(C)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044662	0	36	-1.0	-48.13	317.60	-2.15	-50.28
O=C(NCCNC(=O)C1=NN(CO)C=C1)C1=CC(=O)[N-]O1	REAL250005044663	0	33	-1.0	-50.50	303.96	-5.98	-56.48
O=C(CC1(CO)CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044664	0	36	-1.0	-47.04	314.35	-3.68	-50.72
C[NH+]1CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044665	0	38	0.0	-71.07	319.93	-0.82	-71.89
CC1=NN=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL250005044666	0	30	-1.0	-47.79	293.43	-3.30	-51.09
CC1(O)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044667	0	36	-1.0	-50.12	310.55	-3.91	-54.03
CCCCCC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044668	0	41	-1.0	-47.11	348.68	-1.32	-48.43
CO[C@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044669	0	32	-1.0	-49.82	285.40	-2.29	-52.11
O=CN1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044670	0	36	-1.0	-54.81	315.40	-2.19	-57.00
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044671	0	31	-1.0	-46.05	287.91	-3.06	-49.11
CC1=NN=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005044671	1	31	-1.0	-49.16	288.12	-2.79	-51.95
CC1=CN=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044672	0	33	-1.0	-48.39	302.08	-2.26	-50.65
O=C(NCCNC(=O)[C@@H]1C[C@@H]1C(F)F)C1=CC(=O)[N-]O1	REAL250005044673	0	32	-1.0	-48.82	290.42	-0.61	-49.43
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)N1	REAL250005044674	0	29	-1.0	-53.06	276.04	-4.98	-58.04
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL250005044674	1	28	-2.0	-85.04	273.91	-6.65	-91.69
CC=CC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044675	0	33	-1.0	-47.13	298.61	-3.09	-50.22
CCCC[C@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044676	0	40	-1.0	-46.56	333.57	0.50	-46.06
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044677	0	37	0.0	-68.11	306.39	-1.23	-69.34
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005044677	1	36	-1.0	-47.26	300.56	-3.65	-50.91
CCC=C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044678	0	32	-1.0	-44.55	291.75	-0.95	-45.50
O=C(NCCNC(=O)C1C2(CC2)C12CC2)C1=CC(=O)[N-]O1	REAL250005044679	0	37	-1.0	-47.15	328.35	1.37	-45.78
CCC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044680	0	32	-1.0	-46.89	287.56	-0.99	-47.88
CCC(F)(F)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044681	0	34	-1.0	-52.64	304.70	-0.68	-53.32
CC1=NOC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044682	0	34	-1.0	-52.47	309.72	-1.38	-53.85
O=C(CC1=CSN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044683	0	30	-1.0	-55.79	290.51	-2.93	-58.72
O=C(NCCNC(=O)C1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005044685	0	33	-1.0	-55.14	295.20	-4.47	-59.61
CC(C)(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044686	0	35	-1.0	-46.61	300.68	-4.33	-50.94
C=CN1N=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044687	0	33	-1.0	-49.25	301.07	-1.28	-50.53
CN1C=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044688	0	32	-1.0	-48.35	289.61	-1.59	-49.94
O=C(CC(O)C1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044689	0	36	-1.0	-50.17	315.86	-2.48	-52.65
CC(C)CC(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044690	0	37	-1.0	-47.12	319.37	-0.27	-47.39
CC1(C#CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005044691	0	35	-1.0	-47.53	319.77	-1.90	-49.43
CC(=CC1CC1)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044692	0	36	-1.0	-46.90	312.13	0.45	-46.45
O=C(C=CC1=COC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044693	0	32	-1.0	-50.29	300.74	-4.05	-54.34
O=C(CC1(CO)CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044694	0	39	-1.0	-46.48	326.25	-3.19	-49.67
O=C(CC1=NC=CS1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044695	0	31	-1.0	-50.59	297.70	-2.27	-52.86
O=C(NCCNC(=O)C1CCC=CO1)C1=CC(=O)[N-]O1	REAL250005044696	0	34	-1.0	-49.45	298.40	-0.72	-50.17
CC(O)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005044697	0	39	-1.0	-45.31	325.95	-2.63	-47.94
CC1(C)CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044698	0	39	-1.0	-50.66	330.58	-0.38	-51.04
CN1N=CC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044699	0	35	-1.0	-53.31	313.17	-1.87	-55.18
O=C(CC1CSC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044700	0	33	-1.0	-50.33	300.58	-0.67	-51.00
O=C(NCCNC(=O)C1(F)CCC1)C1=CC(=O)[N-]O1	REAL250005044701	0	32	-1.0	-45.06	286.00	-1.05	-46.11
NC(=O)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044702	0	30	-1.0	-49.63	282.86	-5.71	-55.34
O=C(NCCNC(=O)C1=CC=C[N+]([O-])=C1)C1=CC(=O)[N-]O1	REAL250005044703	0	32	-1.0	-64.37	295.56	-1.44	-65.81
O=C(NCCNC(=O)C1=CC(=O)NC=N1)C1=CC(=O)[N-]O1	REAL250005044704	0	31	-1.0	-55.34	290.44	-3.23	-58.57
C#CCSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044705	0	31	-1.0	-51.46	303.20	-0.51	-51.97
O=C(NCCNC(=O)C1(O)CCC1)C1=CC(=O)[N-]O1	REAL250005044706	0	33	-1.0	-46.88	287.73	-4.12	-51.00
O=C(NCCNC(=O)C(O)C1CC1)C1=CC(=O)[N-]O1	REAL250005044707	0	33	-1.0	-46.88	292.00	-2.70	-49.58
NC(=O)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044708	0	36	-1.0	-46.84	315.76	-4.62	-51.46
O=C(CN1C=NN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044709	0	31	-1.0	-58.73	288.39	0.40	-58.33
C=CCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044710	0	35	-1.0	-46.45	305.07	-0.45	-46.90
O=C(NCCNC(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005044711	0	29	-1.0	-50.54	269.62	-1.53	-52.07
CC1(OCC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044712	0	39	-1.0	-49.98	330.09	-0.24	-50.22
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044713	0	37	0.0	-68.11	306.39	-1.23	-69.34
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005044713	1	36	-1.0	-47.26	300.56	-3.65	-50.91
O=C(CN1C=CN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044714	0	31	-1.0	-59.65	286.98	-3.24	-62.89
C[N@@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044715	0	41	0.0	-67.52	321.12	-0.21	-67.73
C[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044715	1	41	0.0	-66.31	330.44	-0.05	-66.36
CN1CCCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044715	1	40	-1.0	-46.90	327.47	-2.25	-49.15
C=CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044716	0	36	-1.0	-46.19	306.87	0.45	-45.74
O=C(NCCNC(=O)C1(O)COC1)C1=CC(=O)[N-]O1	REAL250005044717	0	31	-1.0	-49.16	278.67	-6.88	-56.04
CCC(C)C(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044718	0	38	-1.0	-46.67	316.32	-1.85	-48.52
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005044719	0	33	-1.0	-47.58	295.68	-0.12	-47.70
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1C=NN=N1	REAL250005044720	0	33	-1.0	-56.78	300.34	-2.41	-59.19
O=NN1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044721	0	35	-1.0	-53.68	311.56	-3.07	-56.75
CCC1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044722	0	35	-1.0	-46.36	300.73	-0.15	-46.51
CC(O)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044723	0	38	-1.0	-49.91	327.70	-3.32	-53.23
CC1=NOC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044724	0	34	-1.0	-53.32	309.84	-1.19	-54.51
O=C(CC1(O)CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044725	0	33	-1.0	-50.82	294.48	-4.31	-55.13
O=C(NCCNC(=O)C1C2CCOCC21)C1=CC(=O)[N-]O1	REAL250005044726	0	37	-1.0	-48.63	307.08	-0.05	-48.68
O=C(C=CCF)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044727	0	29	-1.0	-49.00	272.66	-1.63	-50.63
O=C(NCCNC(=O)C(F)CC1CC1)C1=CC(=O)[N-]O1	REAL250005044728	0	35	-1.0	-47.20	312.25	-0.01	-47.21
CCC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044729	0	41	-1.0	-46.18	338.38	1.06	-45.12
O=C(C=CC1=NC=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044730	0	33	-1.0	-50.09	305.23	-1.91	-52.00
CNC(=O)N[C@@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044731	0	37	-1.0	-49.94	325.99	-5.16	-55.10
CCC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)OC	REAL250005044732	0	38	-1.0	-48.83	321.07	-0.81	-49.64
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=C(Cl)CC1	REAL250005044733	0	30	-1.0	-49.42	290.96	-0.51	-49.93
CC1=NN=NN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044734	0	33	-1.0	-59.08	303.79	-2.97	-62.05
O=C(NCCNC(=O)[C@]12C[C@H]1[C@H](F)C2)C1=CC(=O)[N-]O1	REAL250005044735	0	33	-1.0	-49.66	298.48	-0.30	-49.96
O=C(NCCNC(=O)C1=CCCOC1)C1=CC(=O)[N-]O1	REAL250005044736	0	34	-1.0	-47.61	295.62	-2.23	-49.84
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1(F)F	REAL250005044737	0	32	-1.0	-49.56	292.08	-0.79	-50.35
CCC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044738	0	34	-1.0	-46.13	310.42	-1.29	-47.42
CC(C)(C)C(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044739	0	38	-1.0	-46.47	313.68	-1.96	-48.43
O=C(NCCNC(=O)C1CCSCC1)C1=CC(=O)[N-]O1	REAL250005044740	0	36	-1.0	-47.43	313.42	-0.06	-47.49
C#CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044741	0	30	-1.0	-47.17	280.18	-1.08	-48.25
O=C(CN1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044742	0	34	-1.0	-48.45	294.27	-4.44	-52.89
O=C(C[NH+]1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044742	1	35	0.0	-70.05	298.58	-1.22	-71.27
CC(C)C(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044743	0	38	-1.0	-50.07	321.74	-2.70	-52.77
O=C(NCCNC(=O)C1=C(Cl)CCC1)C1=CC(=O)[N-]O1	REAL250005044744	0	33	-1.0	-48.08	303.23	0.04	-48.04
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL250005044745	0	34	-1.0	-47.53	306.95	-1.12	-48.65
O=C(CC1=CC(=O)NN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044746	0	33	-1.0	-59.69	302.83	-4.91	-64.60
O=C(CC1=CC(=O)N[N-]1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044746	1	32	-2.0	-94.47	299.40	-5.03	-99.50
CC(C)(C)CC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044747	0	41	-1.0	-46.58	337.25	-1.66	-48.24
CCCC(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044748	0	38	-1.0	-45.46	321.70	-3.46	-48.92
CCOC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044749	0	38	-1.0	-50.01	319.20	-0.88	-50.89
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005044750	0	39	-1.0	-45.73	319.35	0.87	-44.86
C[N@@H+]1CCC(=CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044751	0	39	0.0	-73.92	326.38	-0.08	-74.00
C[N@H+]1CCC(=CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044751	1	39	0.0	-73.74	327.33	-0.10	-73.84
CC1=C(C)NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044752	0	35	-1.0	-48.10	312.99	-2.21	-50.31
CCOC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044753	0	39	-1.0	-44.94	330.47	-1.39	-46.33
C#C[C@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044754	0	31	-1.0	-49.80	286.29	-0.43	-50.23
CN1N=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL250005044755	0	31	-2.0	-90.90	296.06	-5.45	-96.35
[N-]=[N+]=NC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044756	0	31	-1.0	-44.55	286.63	-4.51	-49.06
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)O1	REAL250005044757	0	29	-1.0	-50.36	277.21	-4.78	-55.14
CC(C)[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044758	0	38	-1.0	-46.69	325.26	0.40	-46.29
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=C(Cl)N1	REAL250005044759	0	29	-1.0	-47.31	287.32	-2.77	-50.08
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC2CCCC12	REAL250005044760	0	37	-1.0	-46.83	318.09	0.76	-46.07
CCN1N=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044761	0	34	-1.0	-46.01	306.18	-0.77	-46.78
CC(C)C1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044762	0	41	-1.0	-46.62	341.38	0.87	-45.75
CC1CCOC1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044763	0	39	-1.0	-50.08	323.36	-0.97	-51.05
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044764	0	34	-1.0	-45.88	309.70	-4.44	-50.32
O=C(NCCNC(=O)C12CCC(CO1)C2)C1=CC(=O)[N-]O1	REAL250005044765	0	37	-1.0	-46.04	312.88	-1.80	-47.84
O=C(NCCNC(=O)C1C2CCC21)C1=CC(=O)[N-]O1	REAL250005044766	0	33	-1.0	-46.86	286.11	-0.26	-47.12
C=C1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044767	0	33	-1.0	-46.12	292.46	-0.61	-46.73
C[C@H]1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005044768	0	35	-1.0	-45.83	293.59	-0.42	-46.25
C[C@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044769	0	37	0.0	-68.16	306.65	-1.24	-69.40
C[C@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005044769	1	36	-1.0	-47.28	300.25	-3.67	-50.95
O=C(NCCNC(=O)C(O)C1=CNC=N1)C1=CC(=O)[N-]O1	REAL250005044770	0	33	-1.0	-53.29	303.33	-3.97	-57.26
CCC(C)(C)C(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044771	0	41	-1.0	-46.49	328.71	-1.43	-47.92
CC=CC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044772	0	33	-1.0	-47.08	301.64	-0.31	-47.39
CN1N=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044773	0	31	-1.0	-46.29	284.37	-1.62	-47.91
O=C(NCCNC(=O)[C@@H]1CC[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005044774	0	36	-1.0	-48.42	307.54	-3.78	-52.20
CS(=O)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044775	0	31	-1.0	-55.70	298.66	-4.01	-59.71
O=C(NCCNC(=O)[C@@H]1CC=CCC1)C1=CC(=O)[N-]O1	REAL250005044776	0	36	-1.0	-46.30	306.43	0.09	-46.21
COCC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044777	0	33	-1.0	-48.97	299.83	-2.71	-51.68
O=C(CCOC1COC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044778	0	37	-1.0	-47.75	326.23	-3.74	-51.49
CC(=C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044779	0	36	-1.0	-44.37	315.18	0.44	-43.93
CS(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044780	0	33	-1.0	-55.95	307.16	-3.76	-59.71
CN1N=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1F	REAL250005044781	0	32	-1.0	-47.13	300.38	-2.33	-49.46
O=C(C=C(Cl)Cl)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044782	0	26	-1.0	-46.07	274.08	-1.41	-47.48
O=C(NCCNC(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL250005044783	0	30	-2.0	-77.83	282.96	-3.50	-81.33
COC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044784	0	33	-1.0	-48.31	303.67	-5.78	-54.09
CC1CN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044785	0	37	-1.0	-49.02	316.39	-3.43	-52.45
CC1C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044785	1	38	0.0	-69.92	319.75	-0.55	-70.47
O=C(NCCNC(=O)C(O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005044786	0	39	-1.0	-46.84	324.21	-1.61	-48.45
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005044787	0	33	-1.0	-47.01	288.59	-3.27	-50.28
O=C(NCCNC(=O)C1=CCCCO1)C1=CC(=O)[N-]O1	REAL250005044788	0	34	-1.0	-46.32	297.29	-1.65	-47.97
O=C(NCCNC(=O)C1=CCCS1)C1=CC(=O)[N-]O1	REAL250005044789	0	31	-1.0	-47.31	290.00	-0.82	-48.13
CC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044790	0	33	-1.0	-55.11	298.27	-1.71	-56.82
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(=O)NC1CC1	REAL250005044791	0	33	-1.0	-45.60	301.78	-3.82	-49.42
CCC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044792	0	36	-1.0	-55.01	318.96	-0.85	-55.86
O=C(NCCNC(=O)C1CCSC1)C1=CC(=O)[N-]O1	REAL250005044793	0	33	-1.0	-46.68	296.69	-0.76	-47.44
O=C(NCCNC(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005044794	0	30	-1.0	-50.99	271.79	-2.83	-53.82
[N-]=[N+]=NCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044795	0	30	-1.0	-46.48	283.04	-5.74	-52.22
C#CCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044796	0	31	-1.0	-52.99	293.26	-1.50	-54.49
O=C(CC1=NN=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044797	0	30	-1.0	-56.12	283.03	-7.20	-63.32
CN(CCO)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044798	0	37	-1.0	-50.59	316.03	-6.50	-57.09
C[N@H+](CCO)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044798	1	38	0.0	-70.45	316.57	-4.21	-74.66
C[N@@H+](CCO)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044798	1	38	0.0	-70.10	316.35	-4.21	-74.31
O=C(NCCNC(=O)C1CCCS1)C1=CC(=O)[N-]O1	REAL250005044799	0	33	-1.0	-47.84	297.32	-0.74	-48.58
CC(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044800	0	32	-1.0	-45.57	283.38	-4.93	-50.50
O=C(CC1=CC=CC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044801	0	34	-1.0	-52.29	306.36	-1.00	-53.29
O=C(NCCNC(=O)C1=CC=CN=C1F)C1=CC(=O)[N-]O1	REAL250005044802	0	31	-1.0	-54.25	287.85	-1.86	-56.11
CC1=CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044803	0	30	-1.0	-47.49	278.46	-0.89	-48.38
CN(C)C(=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044804	0	32	-1.0	-46.08	285.63	-3.53	-49.61
CSC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044805	0	30	-1.0	-46.57	288.52	-1.45	-48.02
O=C(NCCNC(=O)C1=CNC=CC1=O)C1=CC(=O)[N-]O1	REAL250005044806	0	32	-1.0	-58.76	291.24	-2.10	-60.86
CC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CS1	REAL250005044807	0	33	-1.0	-50.11	306.78	-3.23	-53.34
CCC(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044808	0	35	-1.0	-45.48	300.00	-4.26	-49.74
CCC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044809	0	33	-1.0	-47.52	305.32	-3.98	-51.50
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL250005044810	0	43	0.0	-72.10	345.67	0.36	-71.74
CC1=NN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005044811	0	33	-1.0	-55.47	305.21	-3.34	-58.81
CC[N@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044812	0	37	0.0	-69.50	306.22	-0.98	-70.48
CC[N@@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044812	1	37	0.0	-69.49	306.21	-0.98	-70.47
CCN(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044812	1	36	-1.0	-47.38	304.37	-3.24	-50.62
CC(C)(F)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044813	0	37	-1.0	-47.03	318.43	-0.27	-47.30
CC[C@H](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005044814	0	43	-1.0	-46.27	341.10	0.62	-45.65
CCC=CC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044815	0	36	-1.0	-46.95	322.73	0.45	-46.50
CC1CCC(=CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044816	0	39	-1.0	-46.33	328.20	0.87	-45.46
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL250005044817	0	29	-2.0	-84.48	278.74	-5.66	-90.14
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005044818	0	33	-1.0	-52.19	297.44	-1.62	-53.81
COCC(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044819	0	36	-1.0	-46.04	315.49	-5.55	-51.59
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044820	0	36	-1.0	-46.35	307.96	0.21	-46.14
C=C1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044821	0	33	-1.0	-46.49	293.15	-0.56	-47.05
CC[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044822	0	41	0.0	-66.22	337.08	0.39	-65.83
CC[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044822	1	41	0.0	-67.04	334.86	0.38	-66.66
CCN(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044822	1	40	-1.0	-46.97	331.37	-1.80	-48.77
CC(O)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044823	0	36	-1.0	-45.75	308.68	-3.63	-49.38
CC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044824	0	31	-1.0	-47.57	289.29	-4.60	-52.17
O=C(NCCNC(=O)C1=C(Cl)C=NN1)C1=CC(=O)[N-]O1	REAL250005044825	0	29	-1.0	-47.95	285.12	-3.06	-51.01
O=C(NCCNC(=O)C1=NNC=C1Cl)C1=CC(=O)[N-]O1	REAL250005044825	1	29	-1.0	-50.07	286.20	-3.08	-53.15
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=CS1	REAL250005044826	0	31	-1.0	-47.26	292.58	-2.25	-49.51
O=C(NCCNC(=O)C1CCC1F)C1=CC(=O)[N-]O1	REAL250005044827	0	32	-1.0	-50.58	283.66	-0.99	-51.57
CC[NH+](CC)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044828	0	43	0.0	-70.50	346.43	0.27	-70.23
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=CN1	REAL250005044829	0	29	-1.0	-50.78	270.22	-2.52	-53.30
CC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044830	0	30	-1.0	-47.79	283.83	-4.59	-52.38
O=C(NCCNC(=O)C1CC2CC2C1)C1=CC(=O)[N-]O1	REAL250005044831	0	36	-1.0	-46.64	307.14	0.26	-46.38
O=C(CC1=CN=CN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044832	0	33	-1.0	-52.13	302.54	-1.37	-53.50
CC1=NSC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044833	0	31	-1.0	-46.74	297.22	-1.83	-48.57
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CCSC1	REAL250005044834	0	31	-1.0	-46.95	288.52	-0.78	-47.73
O=C(CCCC(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044835	0	34	-1.0	-49.28	308.56	-0.53	-49.81
CC1(C)CN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044836	0	40	-1.0	-48.18	335.71	-3.20	-51.38
CC1(C)C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044836	1	41	0.0	-69.93	338.90	-0.07	-70.00
CCCC(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044837	0	38	-1.0	-50.20	326.57	-2.43	-52.63
O=C(NCCNC(=O)C1(Cl)CC1)C1=CC(=O)[N-]O1	REAL250005044838	0	29	-1.0	-44.75	278.89	-1.05	-45.80
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CCCO1	REAL250005044839	0	31	-1.0	-46.31	281.00	-2.47	-48.78
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=C(CO)O1	REAL250005044840	0	33	-1.0	-49.32	305.84	-4.56	-53.88
CC(=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(F)F	REAL250005044841	0	32	-1.0	-48.81	295.19	-0.80	-49.61
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL250005044842	0	39	-1.0	-46.41	329.34	0.80	-45.61
C[NH+](C)CC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044843	0	38	0.0	-74.39	325.71	-0.39	-74.78
CCC[C@H](O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044844	0	35	-1.0	-47.25	305.68	-2.88	-50.13
C#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005044845	0	37	-1.0	-46.21	320.86	0.45	-45.76
O=C(CC1COCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044846	0	37	-1.0	-50.96	317.90	-2.42	-53.38
CC(C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005044847	0	39	-1.0	-45.57	320.95	-1.74	-47.31
CNC(=O)N[C@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044848	0	37	-1.0	-49.93	325.99	-5.16	-55.09
CC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005044849	0	39	-1.0	-49.59	324.06	-0.61	-50.20
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N(C)C=N1	REAL250005044850	0	35	-1.0	-50.19	315.04	-0.43	-50.62
O=C(CC1=NN=CS1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044851	0	30	-1.0	-53.84	292.14	-3.33	-57.17
CO[C@@H]1C[C@@]2(C(=O)NCCNC(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005044852	0	37	-1.0	-49.85	325.28	-1.41	-51.26
CN1C=NN=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044853	0	34	-1.0	-58.50	307.52	-0.52	-59.02
CCC1=NON=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044854	0	33	-1.0	-43.87	303.15	-2.08	-45.95
O=C(CC1=NSN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044855	0	30	-1.0	-53.25	289.62	-3.37	-56.62
C=CCC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044856	0	41	-1.0	-46.02	335.25	0.62	-45.40
CCC(C)(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044857	0	38	-1.0	-49.88	315.88	-1.15	-51.03
CC(C)[C@H](O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044858	0	35	-1.0	-46.74	298.66	-2.49	-49.23
CSC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044859	0	36	-1.0	-44.74	319.45	0.03	-44.71
CC(CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044860	0	43	0.0	-70.25	345.77	0.09	-70.16
O=C(NCCNC(=O)C1=CN=CC(F)=N1)C1=CC(=O)[N-]O1	REAL250005044861	0	30	-1.0	-45.64	286.72	-3.68	-49.32
CC(C)C(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044862	0	38	-1.0	-46.46	314.82	-3.35	-49.81
CCOC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044863	0	33	-1.0	-46.74	299.54	-2.12	-48.86
CCN1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044864	0	37	-1.0	-49.02	316.48	-3.52	-52.54
CC[N@@H+]1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044864	1	38	0.0	-68.06	312.35	-0.79	-68.85
CC[N@H+]1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044864	1	38	0.0	-68.66	320.12	-0.62	-69.28
O=C(CC1(O)CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044865	0	39	-1.0	-46.59	322.20	-2.01	-48.60
O=C(NCCNC(=O)C1CCCC1O)C1=CC(=O)[N-]O1	REAL250005044866	0	36	-1.0	-49.06	304.73	-2.10	-51.16
CSSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044867	0	30	-1.0	-49.76	297.78	-0.31	-50.07
NC(=O)C(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044868	0	33	-1.0	-54.99	299.96	-6.91	-61.90
CCC(C)=C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044869	0	38	-1.0	-45.98	316.40	0.30	-45.68
COC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044870	0	36	-1.0	-44.97	307.55	-2.14	-47.11
CC(C)(O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044871	0	38	-1.0	-46.97	322.78	-3.59	-50.56
CC(C)(C)C(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044872	0	41	-1.0	-46.08	326.76	-2.93	-49.01
O=C(NCCNC(=O)C1=CC(=O)C=CN1)C1=CC(=O)[N-]O1	REAL250005044873	0	32	-1.0	-60.58	293.21	-2.31	-62.89
CC1CC(=O)NC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044874	0	36	-1.0	-54.03	315.82	-3.87	-57.90
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSN=C1	REAL250005044875	0	28	-1.0	-48.25	274.19	-2.41	-50.66
CCC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005044876	0	35	-1.0	-49.61	313.65	-2.04	-51.65
CCC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044877	0	34	-1.0	-45.79	309.40	-2.44	-48.23
CCC1=NN=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005044877	1	34	-1.0	-48.70	309.57	-2.17	-50.87
O=C(CC1(O)CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044878	0	37	-1.0	-49.27	313.41	-4.60	-53.87
CC1CC(C)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044879	0	38	-1.0	-46.54	312.86	-0.09	-46.63
CN1N=CN=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044880	0	34	-1.0	-55.55	308.19	-1.34	-56.89
CNC(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044881	0	35	-1.0	-49.35	312.51	-4.04	-53.39
O=C(CCC1=CON=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044882	0	34	-1.0	-49.49	309.29	-1.17	-50.66
O=C(CC1=CSN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044883	0	31	-1.0	-50.87	297.42	-1.74	-52.61
C=CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044884	0	41	0.0	-66.12	332.15	-0.16	-66.28
O=C(CCCCF)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044885	0	34	-1.0	-47.51	302.49	-0.67	-48.18
O=C(C=CCO)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044886	0	30	-1.0	-50.33	277.58	-5.11	-55.44
O=C(NCCNC(=O)C1(CO)CCCO1)C1=CC(=O)[N-]O1	REAL250005044887	0	37	-1.0	-47.39	318.25	-5.13	-52.52
CCC(C)CC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044888	0	43	-1.0	-46.44	347.45	0.88	-45.56
O=C(NCCNC(=O)C(F)N1C=CC=N1)C1=CC(=O)[N-]O1	REAL250005044889	0	32	-1.0	-56.06	299.65	-2.02	-58.08
O=C(CC1=CN=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044890	0	31	-1.0	-53.19	288.33	-4.52	-57.71
O=C(C[C@@H]1CC=CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044891	0	39	-1.0	-47.32	324.81	0.81	-46.51
O=C(C[NH+]1CC2CC2C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044892	0	39	0.0	-69.80	323.82	0.24	-69.56
O=C(CN1CC2CC2C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044892	1	38	-1.0	-48.26	322.15	-2.18	-50.44
O=C(CC1CC2CC2C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044893	0	39	-1.0	-47.20	326.44	1.02	-46.18
O=C(NCCNC(=O)C1=NOC(CF)=C1)C1=CC(=O)[N-]O1	REAL250005044894	0	31	-1.0	-48.15	295.51	-1.83	-49.98
O=C(NCCNC(=O)C1=CC=CC(F)=N1)C1=CC(=O)[N-]O1	REAL250005044895	0	31	-1.0	-47.86	291.92	-1.82	-49.68
COC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044896	0	35	-1.0	-50.05	297.35	-1.81	-51.86
CCCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044897	0	43	0.0	-67.78	340.39	0.14	-67.64
CC1=CN=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044898	0	33	-1.0	-47.59	301.94	-3.03	-50.62
C[NH+](C)C(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044899	0	40	0.0	-71.34	315.95	-0.45	-71.79
O=C(NCCNC(=O)C(F)(F)CO)C1=CC(=O)[N-]O1	REAL250005044900	0	29	-1.0	-47.36	274.27	-4.13	-51.49
O=C(CCCCO)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044901	0	35	-1.0	-48.36	307.32	-4.14	-52.50
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005044902	0	31	-1.0	-47.08	285.24	-1.82	-48.90
CC1=CC=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044903	0	34	-1.0	-47.79	307.00	-1.10	-48.89
O=C(NCCNC(=O)C1CNC(=O)C1)C1=CC(=O)[N-]O1	REAL250005044904	0	33	-1.0	-52.94	293.43	-4.79	-57.73
O=C(COC(F)(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044905	0	29	-1.0	-49.03	283.96	-2.41	-51.44
O=C(NCCNC(=O)[C@@H]1CNC(=O)N1)C1=CC(=O)[N-]O1	REAL250005044906	0	32	-1.0	-56.57	289.10	-6.92	-63.49
O=C(NCCNC(=O)C1=CN=CS1)C1=CC(=O)[N-]O1	REAL250005044907	0	28	-1.0	-47.89	275.45	-2.91	-50.80
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005044908	0	33	-1.0	-48.72	297.32	-1.69	-50.41
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044909	0	41	0.0	-67.47	321.12	-0.22	-67.69
C[N@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044909	1	41	0.0	-67.54	321.14	-0.21	-67.75
CN1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044909	1	40	-1.0	-46.92	327.48	-2.27	-49.19
O=C(NCCNC(=O)C1(CO)CC1)C1=CC(=O)[N-]O1	REAL250005044910	0	33	-1.0	-50.31	295.85	-4.42	-54.73
CCC1=CNC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044911	0	36	-1.0	-51.67	316.01	-0.75	-52.42
O=C(NCCNC(=O)[C@@H]1CCC[C@H]1CF)C1=CC(=O)[N-]O1	REAL250005044912	0	38	-1.0	-48.08	324.19	0.22	-47.86
CC(C)[C@@H](O)[C@@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044913	0	41	-1.0	-49.30	334.94	-1.73	-51.03
COC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044914	0	36	-1.0	-49.75	314.40	-2.08	-51.83
CN1N=CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044915	0	34	-1.0	-54.45	309.05	-3.14	-57.59
O=C(CC1CC1(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044916	0	32	-1.0	-50.11	295.88	-0.67	-50.78
O=C(NCCNC(=O)C1=CC(=O)NC=N1)C1=CC(=O)[N-]O1	REAL250005044917	0	31	-1.0	-55.34	290.44	-3.23	-58.57
CC[C@H](C)[C@H](O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044918	0	38	-1.0	-46.66	316.32	-1.85	-48.51
O=C(NCCNC(=O)[C@]12C[C@H]1[C@H](O)C2)C1=CC(=O)[N-]O1	REAL250005044919	0	34	-1.0	-50.91	303.26	-3.79	-54.70
CCCOCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044920	0	41	-1.0	-49.48	351.42	-0.75	-50.23
CC1=CC=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005044921	0	33	-1.0	-52.00	302.80	-1.96	-53.96
O=C(CCCCCF)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044922	0	37	-1.0	-49.07	323.98	0.11	-48.96
O=C(NCCNC(=O)C1CC2(CC2F)C1)C1=CC(=O)[N-]O1	REAL250005044923	0	36	-1.0	-46.86	318.78	0.39	-46.47
COC(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044924	0	29	-1.0	-50.09	271.52	-3.52	-53.61
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005044925	0	34	-1.0	-45.89	307.26	-1.18	-47.07
O=C(COC1=NOC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044926	0	32	-1.0	-52.10	299.72	-3.37	-55.47
CC1=COC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1C	REAL250005044927	0	35	-1.0	-47.16	311.79	-0.69	-47.85
O=C(CC1=CN=CC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044928	0	33	-1.0	-52.97	301.14	-2.88	-55.85
CCC1OCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044929	0	39	-1.0	-48.63	324.44	-1.49	-50.12
O=C(NCCNC(=O)C12CC1CC2)C1=CC(=O)[N-]O1	REAL250005044930	0	33	-1.0	-46.97	291.87	-0.39	-47.36
CCCC(C)=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044931	0	38	-1.0	-45.72	325.55	0.49	-45.23
C=C[C@H](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044932	0	35	-1.0	-46.44	303.91	-0.48	-46.92
O=C(C=CC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044933	0	33	-1.0	-46.87	298.45	-0.17	-47.04
O=C(NCCNC(=O)C12CCC(CC1)O2)C1=CC(=O)[N-]O1	REAL250005044934	0	37	-1.0	-46.57	312.30	-1.85	-48.42
CC=C(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044935	0	35	-1.0	-46.71	302.25	-0.37	-47.08
CC1=C(F)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005044936	0	32	-1.0	-51.19	299.03	-2.98	-54.17
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1F	REAL250005044936	1	32	-1.0	-49.51	297.97	-2.94	-52.45
O=C(CC12CC(C1)C2)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044937	0	36	-1.0	-47.64	306.67	0.33	-47.31
C#CCC(CC#C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044938	0	35	-1.0	-45.75	319.48	0.98	-44.77
CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005044939	0	38	-1.0	-47.00	317.74	-3.16	-50.16
CCC(NC(N)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044940	0	37	-1.0	-48.90	317.71	-6.22	-55.12
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(CO)=C1	REAL250005044941	0	33	-1.0	-52.69	304.99	-4.59	-57.28
C=CC(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044942	0	33	-1.0	-45.81	293.56	-4.19	-50.00
O=C(CCC1(O)CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044943	0	39	-1.0	-48.80	330.43	-2.71	-51.51
CCC(C)(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044944	0	38	-1.0	-50.17	315.47	-3.89	-54.06
C[NH+](C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044945	0	38	0.0	-71.81	312.26	-0.62	-72.43
CN(C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044945	1	37	-1.0	-46.02	313.18	-3.34	-49.36
O=C(CC[NH+]1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044946	0	41	0.0	-70.87	336.81	0.08	-70.79
CC1(C)CC1CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044947	0	41	-1.0	-46.86	346.03	1.12	-45.74
O=C(C=CC1CCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044948	0	37	-1.0	-48.86	323.05	-1.49	-50.35
CC12CC(C(=O)NCCNC(=O)C3=CC(=O)[N-]O3)(C1)OC2	REAL250005044949	0	37	-1.0	-45.81	318.49	-1.87	-47.68
C#CC1(O)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044950	0	35	-1.0	-49.27	317.35	-3.39	-52.66
CC1=C(C)NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044951	0	36	-1.0	-48.93	316.84	-1.09	-50.02
O=C(NCCNC(=O)C1CC2CCCC21)C1=CC(=O)[N-]O1	REAL250005044952	0	39	-1.0	-46.40	317.45	0.66	-45.74
O=C(NCCNC(=O)C12CC(C1)CO2)C1=CC(=O)[N-]O1	REAL250005044953	0	34	-1.0	-46.19	296.50	-2.37	-48.56
O=C(CC1CCC(O)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044954	0	39	-1.0	-47.75	327.65	-3.05	-50.80
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)O	REAL250005044955	0	38	-1.0	-49.17	317.91	-2.71	-51.88
C[N@@H+]1CC2CC1(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005044956	0	39	0.0	-70.98	320.53	-0.44	-71.42
C[N@H+]1CC2CC1(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005044956	1	39	0.0	-71.14	318.52	-0.25	-71.39
CN1CC2CC1(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005044956	1	38	-1.0	-45.55	318.50	-3.15	-48.70
CN1N=NC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044957	0	34	-1.0	-56.80	307.29	-3.06	-59.86
O=C(NCCNC(=O)C12CC(C1)OC2)C1=CC(=O)[N-]O1	REAL250005044958	0	34	-1.0	-47.12	297.27	-2.59	-49.71
CC(O)C1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044959	0	36	-1.0	-48.73	309.37	-1.99	-50.72
C[C@@H]1C[C@@]2(C(=O)NCCNC(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005044960	0	36	-1.0	-47.00	312.85	0.25	-46.75
CC1(C)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CO1	REAL250005044961	0	39	-1.0	-46.79	328.32	-1.64	-48.43
O=C(CN1C=NC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044962	0	31	-1.0	-57.11	287.87	-0.51	-57.62
CN(C)C(=O)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044963	0	36	-1.0	-49.37	321.10	-2.32	-51.69
O=C(NCCNC(=O)C1=CC=CC(=O)O1)C1=CC(=O)[N-]O1	REAL250005044964	0	31	-1.0	-50.15	291.55	-0.86	-51.01
CC1(C#CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044965	0	34	-1.0	-47.65	312.91	0.34	-47.31
C=CC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044966	0	39	-1.0	-46.27	324.61	0.57	-45.70
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1C=CN=C1	REAL250005044967	0	35	-1.0	-53.05	311.02	-0.22	-53.27
O=C(NCCNC(=O)C1=CC=CNC1=O)C1=CC(=O)[N-]O1	REAL250005044968	0	32	-1.0	-56.12	290.47	-2.83	-58.95
O=C(CSC(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044969	0	29	-1.0	-48.37	289.11	-1.53	-49.90
CC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044970	0	41	-1.0	-46.52	328.38	0.66	-45.86
O=C(NCCNC(=O)C1=CC=CC=[N+]1[O-])C1=CC(=O)[N-]O1	REAL250005044971	0	32	-1.0	-72.92	292.63	0.12	-72.80
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005044972	0	30	-1.0	-47.57	273.90	-1.01	-48.58
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=C(F)O1	REAL250005044973	0	29	-1.0	-45.03	278.94	-1.93	-46.96
CON=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044974	0	29	-1.0	-49.66	275.36	-3.78	-53.44
C#CCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044975	0	36	-1.0	-46.43	314.79	-0.05	-46.48
CN(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(N)=O	REAL250005044976	0	34	-1.0	-55.19	302.96	-4.86	-60.05
O=C(NCCNC(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL250005044977	0	28	-2.0	-84.72	273.33	-6.95	-91.67
O=C(NCCNC(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005044978	0	29	-1.0	-44.99	269.61	-1.54	-46.53
O=C(NCCNC(=O)C(F)(F)C1CC1)C1=CC(=O)[N-]O1	REAL250005044979	0	32	-1.0	-44.44	293.76	-0.69	-45.13
O=C(COCCO)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044980	0	33	-1.0	-53.42	298.85	-5.17	-58.59
CC1(C)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005044981	0	36	-1.0	-45.88	318.66	-2.13	-48.01
O=C(NCCNC(=O)C1=NC=C(F)C=N1)C1=CC(=O)[N-]O1	REAL250005044982	0	30	-1.0	-48.50	287.54	-2.51	-51.01
CC(C)(CF)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044983	0	34	-1.0	-45.49	296.33	-1.04	-46.53
CC(C)[C@@H](O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044984	0	38	-1.0	-50.09	321.74	-2.70	-52.79
CSC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044985	0	33	-1.0	-45.33	307.53	-0.50	-45.83
O=C(NCCNC(=O)C1=NOCC1)C1=CC(=O)[N-]O1	REAL250005044986	0	30	-1.0	-46.07	276.94	-3.51	-49.58
O=C(NCCNC(=O)C1(CCO)CC1)C1=CC(=O)[N-]O1	REAL250005044987	0	36	-1.0	-47.52	317.29	-3.75	-51.27
CC(C)C(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044988	0	38	-1.0	-45.28	314.94	-3.49	-48.77
CC1(C)CC(C)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044989	0	41	-1.0	-46.51	334.46	0.39	-46.12
CC1CCSC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044990	0	36	-1.0	-46.30	311.17	0.07	-46.23
CC(C[NH+](C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044991	0	40	0.0	-71.20	326.89	-0.36	-71.56
CN1C=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005044992	0	34	-1.0	-59.47	308.94	-2.83	-62.30
O=C(NCCNC(=O)C1=NN=CS1)C1=CC(=O)[N-]O1	REAL250005044993	0	27	-1.0	-47.88	271.47	-4.01	-51.89
O=C(NCCNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1=CC(=O)[N-]O1	REAL250005044994	0	37	-1.0	-46.53	314.86	-1.54	-48.07
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)SN=C1	REAL250005044995	0	31	-1.0	-46.35	293.33	-1.75	-48.10
O=C(NCCNC(=O)C(F)C1CCC1)C1=CC(=O)[N-]O1	REAL250005044996	0	35	-1.0	-47.26	303.53	-0.31	-47.57
CC(OC(F)F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044997	0	32	-1.0	-49.10	294.62	-2.01	-51.11
CC1(C)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044998	0	36	-1.0	-50.92	313.37	-1.45	-52.37
C#CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005044999	0	31	-1.0	-48.03	300.30	-0.74	-48.77
CC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005045000	0	33	-1.0	-45.84	298.02	-2.75	-48.59
CC(C)(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N=[N+]=[N-]	REAL250005045001	0	36	-1.0	-44.95	313.65	-4.39	-49.34
CC1(F)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045002	0	35	-1.0	-46.00	307.07	-0.40	-46.40
O=C(CC(=O)NC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045003	0	36	-1.0	-57.94	320.59	-1.61	-59.55
COCC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045004	0	33	-1.0	-48.25	297.05	-5.18	-53.43
CC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL250005045005	0	36	-1.0	-47.41	318.34	-0.01	-47.42
C#CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045006	0	33	-1.0	-49.08	297.15	-0.68	-49.76
O=C(C=CC1CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045007	0	37	-1.0	-48.97	322.57	-1.67	-50.64
COC(C)C(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045008	0	36	-1.0	-45.96	313.18	-4.10	-50.06
O=C(NCCNC(=O)[C@H]1CNC(=O)N1)C1=CC(=O)[N-]O1	REAL250005045009	0	32	-1.0	-56.51	289.14	-6.93	-63.44
CCSC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045010	0	35	-1.0	-48.96	315.88	-0.48	-49.44
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL250005045011	0	41	0.0	-67.07	337.68	0.05	-67.02
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL250005045011	1	40	-1.0	-48.08	333.83	-2.77	-50.85
CC1CCN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045012	0	37	-1.0	-48.84	316.72	-3.45	-52.29
CC1CC[N@@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045012	1	38	0.0	-67.63	314.27	-0.83	-68.46
CC1CC[N@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045012	1	38	0.0	-68.60	319.82	-0.57	-69.17
COC(C)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005045013	0	39	-1.0	-47.55	323.86	-0.56	-48.11
O=C(COC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045014	0	33	-1.0	-51.01	297.84	-1.25	-52.26
O=C(NCCNC(=O)C1=NC=CN1)C1=CC(=O)[N-]O1	REAL250005045015	0	29	-1.0	-48.26	271.35	-3.32	-51.58
O=C(C=CC1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045016	0	36	-1.0	-46.71	314.88	0.36	-46.35
COC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005045017	0	39	-1.0	-49.17	317.94	-0.51	-49.68
CN1NC(=O)C=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045018	0	33	-1.0	-50.80	300.71	-4.27	-55.07
CCC1=CNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045019	0	36	-1.0	-49.29	318.77	-0.81	-50.10
CCCC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045020	0	35	-1.0	-46.75	309.06	-0.21	-46.96
CC=C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045021	0	29	-1.0	-44.76	271.44	-1.68	-46.44
O=C(NCCNC(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL250005045022	0	28	-1.0	-55.95	278.10	-4.54	-60.49
CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005045023	0	40	-1.0	-46.54	329.47	0.21	-46.33
CSC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045024	0	35	-1.0	-49.28	308.26	-0.78	-50.06
O=C(CC1=CN=NS1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045025	0	30	-1.0	-52.90	291.67	-2.72	-55.62
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(F)=C1CCC1	REAL250005045026	0	33	-1.0	-45.16	297.69	-0.28	-45.44
CCC(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045027	0	35	-1.0	-46.99	304.10	-4.42	-51.41
CC(C)(O)C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045028	0	35	-1.0	-49.66	306.36	-3.52	-53.18
CC(C)CCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045029	0	41	-1.0	-49.89	348.04	0.06	-49.83
CC(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045030	0	32	-1.0	-46.84	283.03	-4.97	-51.81
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CON=C1	REAL250005045031	0	28	-1.0	-47.75	266.62	-2.63	-50.38
O=C(C=CC1=CNC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045032	0	33	-1.0	-52.04	304.66	-1.12	-53.16
O=C(C=CC1=NC=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045033	0	33	-1.0	-50.09	305.23	-1.91	-52.00
CCC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005045034	0	39	-1.0	-47.25	319.72	-2.08	-49.33
O=C(C=CC1=CNN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045035	0	33	-1.0	-50.73	303.57	-2.33	-53.06
O=C(NCCNC(=O)[C@@H]1C[C@H]1CF)C1=CC(=O)[N-]O1	REAL250005045036	0	32	-1.0	-48.90	291.44	-0.78	-49.68
O=C(NCCNC(=O)[C@@H]1CCCC[C@H]1O)C1=CC(=O)[N-]O1	REAL250005045037	0	39	-1.0	-48.53	323.74	-2.03	-50.56
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CCCC1	REAL250005045038	0	39	-1.0	-46.29	321.43	0.55	-45.74
O=C(CC1CC2(CC2)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045039	0	39	-1.0	-47.51	333.18	1.09	-46.42
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CN1C	REAL250005045040	0	36	-1.0	-52.29	317.26	0.01	-52.28
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCOC1	REAL250005045041	0	39	-1.0	-47.97	324.27	-1.76	-49.73
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(Cl)=C1	REAL250005045042	0	29	-1.0	-49.20	288.73	-1.46	-50.66
C[NH+](C)[C@H]1C[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045043	0	41	0.0	-70.77	338.04	0.08	-70.69
CC(CC[NH+](C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045044	0	43	0.0	-71.50	348.52	0.27	-71.23
O=C(NCCNC(=O)C1CC(C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005045045	0	39	-1.0	-46.86	332.85	1.12	-45.74
CC(C)[C@H](NC=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045046	0	38	-1.0	-47.90	321.58	-3.06	-50.96
CCSC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045047	0	36	-1.0	-45.18	327.96	0.19	-44.99
CN(C)C(=O)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045048	0	36	-1.0	-49.37	321.10	-2.32	-51.69
C#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045049	0	31	-1.0	-46.17	289.11	-0.53	-46.70
CC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL250005045050	0	31	-1.0	-47.58	297.48	-2.34	-49.92
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COCC1	REAL250005045051	0	31	-1.0	-47.39	279.60	-2.52	-49.91
O=C(NCCNC(=O)C1=CCCSC1)C1=CC(=O)[N-]O1	REAL250005045052	0	34	-1.0	-47.13	303.91	-0.05	-47.18
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(F)=NN1	REAL250005045053	0	29	-1.0	-47.25	277.22	-3.76	-51.01
O=C(NCCNC(=O)C1C=CCC1)C1=CC(=O)[N-]O1	REAL250005045054	0	33	-1.0	-46.43	288.46	-0.57	-47.00
O=C(NCCNC(=O)C1CCCC(O)C1)C1=CC(=O)[N-]O1	REAL250005045055	0	39	-1.0	-49.99	325.14	-3.13	-53.12
CC1CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045056	0	39	-1.0	-46.44	325.12	0.79	-45.65
CC(O)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045057	0	35	-1.0	-49.79	297.22	-3.26	-53.05
O=C(NCCNC(=O)C1(O)CCOC1)C1=CC(=O)[N-]O1	REAL250005045058	0	34	-1.0	-48.65	295.10	-6.13	-54.78
CN1[N-]C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL250005045059	0	32	-2.0	-87.08	301.55	-3.96	-91.04
C=C1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045060	0	30	-1.0	-46.91	276.99	-1.02	-47.93
O=C(CC1CC=CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045061	0	36	-1.0	-47.46	308.94	0.15	-47.31
NC(=[NH2+])SCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045062	0	32	0.0	-71.79	296.40	-4.69	-76.48
O=C(CCC[N+](=O)[O-])NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045063	0	33	-1.0	-53.81	303.50	-1.18	-54.99
CC(CF)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045064	0	31	-1.0	-45.79	278.24	-1.56	-47.35
O=C(C[C@@H]1COC[C@H]1O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045065	0	37	-1.0	-52.64	318.28	-5.67	-58.31
O=C(C=CC1=NC=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045066	0	32	-1.0	-49.34	301.22	-3.88	-53.22
CC(CC1CCC1)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045067	0	41	-1.0	-46.51	336.05	0.92	-45.59
CC1(C)C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045068	0	36	-1.0	-46.90	315.70	0.15	-46.75
O=C(CCC1=NNC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045069	0	35	-1.0	-49.82	314.16	-2.20	-52.02
CC1(C)CC(O)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045070	0	39	-1.0	-46.58	325.44	-2.75	-49.33
O=C(CC1(C2CC2)CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045071	0	39	-1.0	-45.79	322.25	1.05	-44.74
O=C(NCCNC(=O)[C@@H]1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005045072	0	29	-1.0	-48.15	276.41	-1.43	-49.58
O=C(NCCNC(=O)C1C2C3CC1CC32)C1=CC(=O)[N-]O1	REAL250005045073	0	37	-1.0	-47.33	310.48	0.56	-46.77
O=C(NCCNC(=O)[C@@H](O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005045074	0	39	-1.0	-46.82	324.21	-1.61	-48.43
CC(=O)NCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045075	0	35	-1.0	-56.79	313.41	-4.04	-60.83
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)N1	REAL250005045076	0	30	-1.0	-55.43	279.92	-5.43	-60.86
CC1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045077	0	38	-1.0	-46.59	316.68	0.15	-46.44
CC1CCC(C)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045078	0	41	-1.0	-46.52	334.23	0.69	-45.83
C=C(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045079	0	32	-1.0	-47.03	287.42	-1.16	-48.19
CC1=CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045080	0	39	-1.0	-46.14	327.29	0.73	-45.41
CCSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045081	0	32	-1.0	-49.26	297.43	-1.04	-50.30
CC(C)=C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045082	0	35	-1.0	-46.97	303.71	-0.64	-47.61
O=C(NCCNC(=O)C(F)(F)C(F)F)C1=CC(=O)[N-]O1	REAL250005045083	0	28	-1.0	-44.49	277.39	-1.90	-46.39
CCCC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045084	0	35	-1.0	-47.20	305.69	-2.88	-50.08
CCCCC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045085	0	38	-1.0	-47.17	327.19	-2.10	-49.27
COC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005045086	0	36	-1.0	-51.28	312.69	-4.44	-55.72
O=C(CSC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045087	0	33	-1.0	-48.92	308.01	-0.21	-49.13
O=C(CCCC1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045088	0	41	-1.0	-47.07	344.12	1.27	-45.80
CCC(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045089	0	35	-1.0	-50.32	305.07	-3.21	-53.53
CC(Cl)=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045090	0	29	-1.0	-48.32	278.45	-1.24	-49.56
CN1C(=O)NCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045091	0	35	-1.0	-56.74	310.25	-4.59	-61.33
CCC(F)(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045092	0	31	-1.0	-44.05	284.66	-1.45	-45.50
O=C(NCCNC(=O)C1CCCCC1F)C1=CC(=O)[N-]O1	REAL250005045093	0	38	-1.0	-48.59	319.29	0.28	-48.31
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005045094	0	32	-1.0	-46.03	287.37	-0.90	-46.93
O=C(NCCNC(=O)[C@H]1C[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005045095	0	33	-1.0	-50.49	291.04	-4.51	-55.00
CC1(C)CC1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045096	0	38	-1.0	-47.18	323.86	0.33	-46.85
CCCCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045097	0	43	-1.0	-46.86	360.39	1.53	-45.33
CC(NC(N)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045098	0	34	-1.0	-49.63	304.06	-6.61	-56.24
O=C(NCCNC(=O)C1(O)CCOCC1)C1=CC(=O)[N-]O1	REAL250005045099	0	37	-1.0	-48.49	312.50	-5.15	-53.64
CN(C)C(=O)C#CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045100	0	34	-1.0	-49.52	318.42	-2.26	-51.78
C=C(C)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045101	0	38	-1.0	-47.47	330.32	0.41	-47.06
CC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1C	REAL250005045102	0	34	-1.0	-54.52	309.11	-1.84	-56.36
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC(F)C1	REAL250005045103	0	35	-1.0	-46.71	304.28	-0.45	-47.16
CCC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005045104	0	36	-1.0	-48.26	318.80	-0.95	-49.21
O=C(C#CC1CCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045105	0	35	-1.0	-49.14	317.06	-1.43	-50.57
C[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045106	0	32	-1.0	-46.80	284.79	-0.92	-47.72
CNC(=O)NC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045107	0	37	-1.0	-49.93	325.99	-5.16	-55.09
CCN1C=NN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045108	0	34	-1.0	-49.80	306.51	-0.07	-49.87
O=C(NCCNC(=O)C1(C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005045109	0	39	-1.0	-47.27	323.02	0.90	-46.37
O=C(NCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C1=CC(=O)[N-]O1	REAL250005045110	0	36	-1.0	-46.95	305.91	0.15	-46.80
O=C(COC1COC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045111	0	34	-1.0	-51.52	305.28	-3.46	-54.98
C[C@@H]1C[C@]2(C(=O)NCCNC(=O)C3=CC(=O)[N-]O3)C[C@H]12	REAL250005045112	0	36	-1.0	-46.71	311.54	0.21	-46.50
CNC(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045113	0	32	-1.0	-58.46	288.99	-3.31	-61.77
CC(OC1COC1)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045114	0	37	-1.0	-51.08	325.57	-2.73	-53.81
CN1C(=O)CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045115	0	36	-1.0	-55.25	317.27	-2.03	-57.28
CCC1CN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045116	0	40	-1.0	-48.67	338.00	-2.62	-51.29
CCC1C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045116	1	41	0.0	-70.66	341.14	0.21	-70.45
CC1=CN(C)C=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045117	0	36	-1.0	-51.60	316.79	0.23	-51.37
C=CC=CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045118	0	33	-1.0	-47.72	301.06	-0.39	-48.11
C#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045119	0	34	-1.0	-46.13	304.94	-0.07	-46.20
C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045120	0	38	0.0	-66.66	314.77	-0.56	-67.22
C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045120	1	38	0.0	-68.67	308.52	-1.09	-69.76
CN1CCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045120	1	37	-1.0	-48.45	313.89	-2.85	-51.30
CCCC=CC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045121	0	39	-1.0	-47.07	338.52	-1.36	-48.43
O=C(NCCNC(=O)C1CC=CCO1)C1=CC(=O)[N-]O1	REAL250005045122	0	34	-1.0	-49.73	298.97	-1.13	-50.86
CC(C)(CCCO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045123	0	41	-1.0	-47.68	338.48	-3.19	-50.87
O=C(CCOC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045124	0	36	-1.0	-46.88	318.79	-1.54	-48.42
O=C(CCCCCO)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045125	0	38	-1.0	-50.07	328.82	-3.36	-53.43
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=N1	REAL250005045126	0	28	-1.0	-47.92	275.53	-3.05	-50.97
O=C(C[NH+]1CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045127	0	41	0.0	-69.39	330.59	0.25	-69.14
O=C(CN1CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045127	1	40	-1.0	-47.50	328.31	-1.93	-49.43
O=C(NCCNC(=O)C1(CO)CCC1)C1=CC(=O)[N-]O1	REAL250005045128	0	36	-1.0	-47.61	304.66	-3.25	-50.86
O=C(NCCNC(=O)C1CCCCC1O)C1=CC(=O)[N-]O1	REAL250005045129	0	39	-1.0	-48.59	321.68	-1.92	-50.51
CN1C=CN=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045130	0	35	-1.0	-54.19	313.43	-1.20	-55.39
CC1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL250005045131	0	41	0.0	-70.44	330.71	-0.20	-70.64
CC1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL250005045131	1	41	0.0	-70.19	334.96	-0.24	-70.43
O=C(NCCNC(=O)C1=CN=CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005045132	0	31	-1.0	-50.15	288.15	-4.94	-55.09
O=C(NCCNC(=O)C1=CNC(=O)S1)C1=CC(=O)[N-]O1	REAL250005045133	0	29	-1.0	-48.88	286.04	-4.09	-52.97
NC(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045134	0	32	-1.0	-49.28	290.58	-5.53	-54.81
C=CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045135	0	36	-1.0	-46.98	318.48	0.20	-46.78
O=C(COC(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045136	0	29	-1.0	-49.47	277.22	-2.64	-52.11
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC(=O)N1	REAL250005045137	0	36	-1.0	-49.85	313.11	-3.68	-53.53
COC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045138	0	38	-1.0	-48.77	315.45	-1.11	-49.88
CC(O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045139	0	35	-1.0	-47.13	306.20	-4.10	-51.23
CCS(O)=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045140	0	33	-1.0	-56.51	303.98	-4.92	-61.43
CN(C)C(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045141	0	38	-1.0	-49.24	330.93	-2.08	-51.32
C#CCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045142	0	33	-1.0	-46.67	298.05	-0.50	-47.17
CC(CCO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045143	0	35	-1.0	-50.27	301.99	-4.40	-54.67
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(F)=CC1CC1	REAL250005045144	0	33	-1.0	-44.63	302.99	-0.13	-44.76
O=C(CC1CC(F)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045145	0	35	-1.0	-47.53	307.45	-0.21	-47.74
O=C(NCCNC(=O)C(F)CC1CCC1)C1=CC(=O)[N-]O1	REAL250005045146	0	38	-1.0	-47.11	328.77	0.51	-46.60
O=C(NCCNC(=O)[C@H](O)CF)C1=CC(=O)[N-]O1	REAL250005045147	0	29	-1.0	-48.69	270.00	-4.33	-53.02
CCC1(C)C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045148	0	39	-1.0	-46.83	332.90	0.76	-46.07
CCC1(C)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045149	0	41	-1.0	-46.48	337.13	0.65	-45.83
CCN1C=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045150	0	34	-1.0	-53.88	310.18	-0.77	-54.65
CCCC(C)(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045151	0	41	-1.0	-46.31	335.97	-1.47	-47.78
CN1C=NN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045152	0	31	-1.0	-49.99	284.76	-0.96	-50.95
CCCC(CC)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045153	0	43	-1.0	-46.42	348.88	1.03	-45.39
CC1=CON=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045154	0	34	-1.0	-52.32	308.74	-1.48	-53.80
C#CC1=CC=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045155	0	34	-1.0	-50.36	315.54	1.14	-49.22
O=C(NCCNC(=O)C1(O)CCCCC1)C1=CC(=O)[N-]O1	REAL250005045156	0	39	-1.0	-47.11	321.18	-2.71	-49.82
O=C(NCCNC(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005045157	0	30	-1.0	-46.53	271.73	-4.66	-51.19
NS(=O)(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045158	0	30	-1.0	-61.23	287.95	-8.15	-69.38
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=NS1	REAL250005045159	0	31	-1.0	-46.68	291.53	-1.61	-48.29
O=C(CC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045160	0	32	-1.0	-47.24	283.84	-0.82	-48.06
CC(C)(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045161	0	31	-1.0	-45.35	279.72	-1.70	-47.05
CC(F)(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045162	0	28	-1.0	-44.30	264.75	-2.17	-46.47
O=C(NCCNC(=O)C1=CC=CC=N1)C1=CC(=O)[N-]O1	REAL250005045163	0	31	-1.0	-48.04	285.50	-1.75	-49.79
O=C(NCCNC(=O)C1=CC=NC=C1)C1=CC(=O)[N-]O1	REAL250005045164	0	31	-1.0	-48.13	283.47	-1.81	-49.94
O=C(NCCNC(=O)C1=CC=C(F)C=C1)C1=CC(=O)[N-]O1	REAL250005045165	0	32	-1.0	-47.08	294.69	0.01	-47.07
O=C(NCCNC(=O)C1=CC=CN=C1)C1=CC(=O)[N-]O1	REAL250005045166	0	31	-1.0	-48.11	283.27	-1.82	-49.93
O=C(CC1=CC=CS1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045167	0	32	-1.0	-48.47	303.14	-0.26	-48.73
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL250005045168	0	29	-1.0	-47.51	272.52	-2.04	-49.55
CC(=O)NCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045169	0	32	-1.0	-49.01	291.58	-4.68	-53.69
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)SC=C1	REAL250005045170	0	32	-1.0	-46.42	297.34	-0.37	-46.79
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL250005045171	0	32	-1.0	-46.77	302.23	-0.25	-47.02
O=C(C=CC1=CC=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045172	0	33	-1.0	-48.11	305.45	-0.67	-48.78
O=C(NCCNC(=O)C1=CC=CC=C1F)C1=CC(=O)[N-]O1	REAL250005045173	0	32	-1.0	-51.71	292.85	0.02	-51.69
O=C(NCCNC(=O)C1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL250005045174	0	32	-1.0	-47.96	288.29	-0.06	-48.02
CC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045175	0	34	-1.0	-46.55	291.12	-1.01	-47.56
O=C(NCCNC(=O)C1CCCCC1)C1=CC(=O)[N-]O1	REAL250005045176	0	38	-1.0	-46.39	314.08	0.21	-46.18
O=C(NCCNC(=O)C1=CN=CC=N1)C1=CC(=O)[N-]O1	REAL250005045177	0	30	-1.0	-48.22	280.29	-3.64	-51.86
CC1=CC=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045178	0	35	-1.0	-47.10	304.35	0.61	-46.49
O=C(CC1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045179	0	38	-1.0	-46.78	316.10	0.26	-46.52
O=C(CCC1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045180	0	41	-1.0	-46.85	338.60	1.02	-45.83
O=C(NCCNC(=O)C1=CC=CC(F)=C1)C1=CC(=O)[N-]O1	REAL250005045181	0	32	-1.0	-49.24	294.70	0.01	-49.23
O=C(NCCNC(=O)C1=CC=CS1)C1=CC(=O)[N-]O1	REAL250005045182	0	29	-1.0	-46.84	280.44	-1.05	-47.89
CC1=CN=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005045183	0	33	-1.0	-47.82	301.93	-3.02	-50.84
O=C(CC1=CSC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045184	0	32	-1.0	-48.42	302.89	-0.45	-48.87
CC1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045185	0	32	-1.0	-46.78	284.79	-0.93	-47.71
CC1=CC=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045186	0	35	-1.0	-48.06	309.69	0.61	-47.45
CCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045187	0	32	-1.0	-50.25	287.47	-2.04	-52.29
CC(C)=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045188	0	32	-1.0	-46.28	282.37	-1.04	-47.32
O=C(NCCNC(=O)C1=COCCO1)C1=CC(=O)[N-]O1	REAL250005045189	0	32	-1.0	-51.66	286.45	-2.41	-54.07
O=C(NCCNC(=O)C1=CC=[N+]([O-])C=C1)C1=CC(=O)[N-]O1	REAL250005045190	0	32	-1.0	-58.14	295.73	-1.42	-59.56
O=C(NCCNC(=O)C1CC2C=CC1C2)C1=CC(=O)[N-]O1	REAL250005045191	0	37	-1.0	-46.23	311.51	0.43	-45.80
CC(=O)NC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045192	0	35	-1.0	-48.91	311.12	-3.83	-52.74
O=C(NCCNC(=O)C1=NNC(=O)C=C1)C1=CC(=O)[N-]O1	REAL250005045193	0	31	-1.0	-48.04	290.16	-4.54	-52.58
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045194	0	32	-1.0	-47.09	294.43	-1.22	-48.31
O=C(CC1CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045195	0	41	-1.0	-46.65	332.75	0.89	-45.76
O=C(NCCNC(=O)C1CCCO1)C1=CC(=O)[N-]O1	REAL250005045196	0	33	-1.0	-50.42	288.92	-1.79	-52.21
CSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045197	0	29	-1.0	-49.36	275.96	-1.93	-51.29
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005045198	0	31	-1.0	-47.26	288.93	-1.97	-49.23
CSCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045199	0	32	-1.0	-46.38	297.63	-1.12	-47.50
CC(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045200	0	37	-1.0	-46.85	313.46	-0.31	-47.16
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=C1	REAL250005045201	0	29	-1.0	-47.78	279.63	-1.14	-48.92
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005045202	0	32	-1.0	-47.52	289.96	-1.28	-48.80
O=C(CC1C=CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045203	0	36	-1.0	-47.33	308.26	0.17	-47.16
O=C(CN1C=NN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045204	0	30	-1.0	-61.91	281.70	-2.81	-64.72
O=C(CN1CCCC1=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045205	0	36	-1.0	-54.70	317.93	-1.70	-56.40
CN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005045206	0	32	-1.0	-49.81	293.33	-2.31	-52.12
CC1=NOC(C)=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045207	0	34	-1.0	-47.89	311.62	-1.23	-49.12
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)SN=N1	REAL250005045208	0	30	-1.0	-46.60	288.51	-2.87	-49.47
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C(C)O1	REAL250005045209	0	35	-1.0	-47.18	311.87	-0.45	-47.63
O=C(NCCNC(=O)C1CC=CCC1)C1=CC(=O)[N-]O1	REAL250005045210	0	36	-1.0	-46.27	306.34	0.09	-46.18
O=C(CCC1=CC=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045211	0	35	-1.0	-48.11	315.06	-0.46	-48.57
CC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045212	0	31	-1.0	-46.34	288.96	-2.03	-48.37
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=CN1	REAL250005045213	0	30	-1.0	-49.46	275.40	-2.26	-51.72
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(Cl)=CN1	REAL250005045214	0	30	-1.0	-49.32	292.47	-1.74	-51.06
CC(=O)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045215	0	36	-1.0	-55.72	319.10	-0.90	-56.62
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1C	REAL250005045216	0	36	-1.0	-47.80	313.86	-0.13	-47.93
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC=C1	REAL250005045217	0	29	-1.0	-50.35	271.68	-2.08	-52.43
O=C(CN1C=CC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045218	0	32	-1.0	-54.94	293.12	-1.95	-56.89
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005045219	0	32	-1.0	-47.34	290.41	-1.36	-48.70
O=C(NCCNC(=O)C1CC2CCC1C2)C1=CC(=O)[N-]O1	REAL250005045220	0	39	-1.0	-46.95	315.24	0.38	-46.57
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=C(Cl)O1	REAL250005045221	0	29	-1.0	-45.02	289.57	-1.43	-46.45
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=NN1C	REAL250005045222	0	35	-1.0	-49.47	308.86	-1.82	-51.29
CCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045223	0	37	-1.0	-46.95	317.39	-0.03	-46.98
CC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045224	0	37	-1.0	-45.74	306.09	-0.48	-46.22
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005045225	0	34	-1.0	-48.09	304.88	-1.21	-49.30
CN1C=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045226	0	33	-1.0	-47.72	293.26	-0.62	-48.34
O=C(CCN1C=NC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045227	0	34	-1.0	-49.92	310.06	0.03	-49.89
CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045228	0	34	-1.0	-47.02	295.90	-0.81	-47.83
CC1=CC=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045229	0	34	-1.0	-47.85	307.11	-1.16	-49.01
O=C(CCN1C=CC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045230	0	35	-1.0	-48.50	315.30	-1.39	-49.89
O=C(NCCNC(=O)C1=CC=CC=C1O)C1=CC(=O)[N-]O1	REAL250005045231	0	33	-1.0	-49.87	297.13	-1.52	-51.39
CCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045232	0	34	-1.0	-46.60	290.57	-1.04	-47.64
CC(C)SCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045233	0	35	-1.0	-48.96	315.70	-0.41	-49.37
N#CCSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045234	0	30	-1.0	-56.19	296.78	-1.30	-57.49
CC(=O)N(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045235	0	35	-1.0	-55.37	308.97	-2.39	-57.76
CCC(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045236	0	37	-1.0	-46.54	307.16	-0.60	-47.14
CC(C)OCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045237	0	38	-1.0	-46.69	328.70	-1.58	-48.27
CCC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045238	0	35	-1.0	-47.68	313.48	-2.26	-49.94
O=C(CCC1CCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045239	0	39	-1.0	-47.43	330.82	-1.26	-48.69
O=C(NCCNC(=O)C1COCCO1)C1=CC(=O)[N-]O1	REAL250005045240	0	34	-1.0	-49.89	297.86	-2.98	-52.87
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=NN1	REAL250005045241	0	29	-1.0	-47.76	270.11	-3.58	-51.34
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1C=CC=N1	REAL250005045242	0	35	-1.0	-52.17	311.64	-1.46	-53.63
CCCCC(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045243	0	43	-1.0	-46.39	354.57	1.03	-45.36
CSC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045244	0	32	-1.0	-49.10	294.51	-1.36	-50.46
CCOC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045245	0	35	-1.0	-49.85	307.27	-1.33	-51.18
CC(C)COCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045246	0	41	-1.0	-46.50	350.03	-0.82	-47.32
CCOCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045247	0	38	-1.0	-49.63	329.92	-1.55	-51.18
O=C(COCC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045248	0	36	-1.0	-50.40	319.15	-0.45	-50.85
O=C(CC1CCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045249	0	36	-1.0	-50.51	309.00	-1.34	-51.85
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)SC=N1	REAL250005045250	0	31	-1.0	-47.39	292.46	-2.28	-49.67
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CNN=C1	REAL250005045251	0	29	-1.0	-49.03	270.39	-3.62	-52.65
O=C(CNC(=O)C1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045252	0	36	-1.0	-48.64	322.38	-3.09	-51.73
COCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045253	0	35	-1.0	-49.63	308.07	-2.52	-52.15
O=C(COC1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045254	0	39	-1.0	-50.13	332.16	0.03	-50.10
CC1=NC=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045255	0	33	-1.0	-47.22	294.74	-1.38	-48.60
CCSCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045256	0	35	-1.0	-46.38	319.10	-0.24	-46.62
CCOC1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045257	0	36	-1.0	-46.27	318.98	-1.70	-47.97
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=NSN=C1	REAL250005045258	0	27	-1.0	-45.45	269.24	-4.10	-49.55
O=C(NCCNC(=O)C1=CN=NS1)C1=CC(=O)[N-]O1	REAL250005045259	0	27	-1.0	-47.15	270.57	-3.45	-50.60
COC(=O)NCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045260	0	33	-1.0	-48.93	302.40	-5.27	-54.20
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=NOC=C1	REAL250005045261	0	28	-1.0	-48.26	266.99	-2.81	-51.07
CCCSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045262	0	35	-1.0	-48.99	318.92	-0.24	-49.23
CC(=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005045263	0	36	-1.0	-45.91	310.48	0.39	-45.52
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045264	0	32	-1.0	-47.81	292.05	-3.00	-50.81
O=C(NCCNC(=O)C1=CN=CS1)C1=CC(=O)[N-]O1	REAL250005045265	0	28	-1.0	-47.89	275.45	-2.91	-50.80
CC1=NN(C)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045266	0	35	-1.0	-47.90	310.52	-1.73	-49.63
CC1=CN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL250005045267	0	35	-1.0	-54.79	315.00	-1.27	-56.06
CC(C)COC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045268	0	41	-1.0	-49.55	348.87	0.15	-49.40
CCCC(=O)NCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045269	0	38	-1.0	-48.50	333.36	-3.10	-51.60
CCC=C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045270	0	35	-1.0	-46.89	301.60	-0.31	-47.20
CS(=O)(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045271	0	31	-1.0	-63.19	294.43	-5.37	-68.56
O=C(C=C1CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045272	0	39	-1.0	-46.07	323.55	0.76	-45.31
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005045273	0	31	-1.0	-47.76	285.29	-4.63	-52.39
CCOC(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045274	0	38	-1.0	-48.57	327.73	-0.46	-49.03
O=C(CC(F)(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045275	0	28	-1.0	-50.24	270.32	-1.94	-52.18
COC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045276	0	32	-1.0	-49.82	285.40	-2.29	-52.11
CC(C)OCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045277	0	35	-1.0	-50.06	307.75	-1.31	-51.37
CC(OCC1CC1)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045278	0	39	-1.0	-50.11	338.93	0.24	-49.87
CCCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045279	0	35	-1.0	-50.01	308.97	-1.23	-51.24
CCCCOC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045280	0	41	-1.0	-49.63	350.26	0.24	-49.39
C=CCCOC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045281	0	39	-1.0	-49.73	341.58	0.02	-49.71
O=C(NCCNC(=O)C1CCOC1)C1=CC(=O)[N-]O1	REAL250005045282	0	33	-1.0	-48.40	286.81	-3.00	-51.40
O=C(NCCNC(=O)C1=CC=NC(F)=C1)C1=CC(=O)[N-]O1	REAL250005045283	0	31	-1.0	-49.93	289.90	-1.88	-51.81
CC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL250005045284	0	31	-1.0	-47.71	297.39	-2.19	-49.90
CN1N=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045285	0	32	-1.0	-47.89	288.75	-2.32	-50.21
CCC(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045286	0	35	-1.0	-48.56	306.62	-1.46	-50.02
COCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045287	0	38	-1.0	-47.84	329.57	-1.74	-49.58
CCCC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045288	0	40	-1.0	-46.46	330.85	0.41	-46.05
COC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045289	0	35	-1.0	-48.32	305.71	-1.76	-50.08
CN1C=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005045290	0	35	-1.0	-52.71	315.73	-1.59	-54.30
O=C(NCCNC(=O)C1CCCCCC1)C1=CC(=O)[N-]O1	REAL250005045291	0	41	-1.0	-46.22	325.10	0.69	-45.53
C=CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045292	0	32	-1.0	-46.89	287.21	-1.03	-47.92
O=C(NCCNC(=O)C1=COCCC1)C1=CC(=O)[N-]O1	REAL250005045293	0	34	-1.0	-47.26	294.48	-1.76	-49.02
COC(=O)C1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045294	0	35	-1.0	-48.52	319.07	-0.90	-49.42
O=C(NCCNC(=O)C1CCCOC1)C1=CC(=O)[N-]O1	REAL250005045295	0	36	-1.0	-46.64	305.13	-2.20	-48.84
CCOCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045296	0	35	-1.0	-46.72	308.43	-2.32	-49.04
CCNC(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045297	0	38	-1.0	-48.95	334.00	-3.20	-52.15
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=N1	REAL250005045298	0	28	-1.0	-47.92	275.53	-3.05	-50.97
COCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045299	0	35	-1.0	-46.35	305.28	-2.57	-48.92
CC(C)(C)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045300	0	43	-1.0	-46.77	351.13	0.88	-45.89
C=CCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045301	0	33	-1.0	-50.50	300.38	-1.46	-51.96
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC=N1	REAL250005045302	0	28	-1.0	-48.31	267.30	-5.45	-53.76
O=C(NCCNC(=O)[C@H]1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005045303	0	33	-1.0	-55.10	295.23	-4.47	-59.57
O=C(CC1=CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045304	0	39	-1.0	-47.18	328.80	0.85	-46.33
CC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005045305	0	32	-1.0	-50.03	292.21	-2.67	-52.70
CSCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045306	0	35	-1.0	-45.95	315.04	-0.54	-46.49
C[N@@H+]1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045307	0	38	0.0	-68.69	308.44	-1.09	-69.78
C[N@H+]1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045307	1	38	0.0	-68.70	308.51	-1.08	-69.78
CN1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045307	1	37	-1.0	-48.34	313.71	-2.92	-51.26
CCC(=O)NCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045308	0	35	-1.0	-48.66	311.87	-3.87	-52.53
CC(C)(C)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045309	0	38	-1.0	-46.55	324.40	0.05	-46.50
O=C(NCCNC(=O)C1=CC=C(F)N=C1)C1=CC(=O)[N-]O1	REAL250005045310	0	31	-1.0	-47.71	289.69	-1.90	-49.61
CC(C#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045311	0	29	-1.0	-53.79	271.87	-2.06	-55.85
COCCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045312	0	36	-1.0	-52.77	321.10	-2.79	-55.56
CCCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045313	0	37	-1.0	-46.63	312.07	-0.28	-46.91
CC1=NN(C)C=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045314	0	35	-1.0	-51.75	311.43	-1.70	-53.45
CC(C)(C)C(=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045315	0	36	-1.0	-43.98	310.22	-1.29	-45.27
O=C(NCCNC(=O)C1CC2CCC1O2)C1=CC(=O)[N-]O1	REAL250005045316	0	37	-1.0	-46.40	306.24	-2.05	-48.45
CC1=CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005045317	0	34	-1.0	-54.11	309.07	-1.19	-55.30
CCN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005045318	0	35	-1.0	-49.55	314.84	-1.44	-50.99
NC1=NC=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045319	0	32	-1.0	-47.48	290.63	-4.51	-51.99
O=C(CCC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045320	0	35	-1.0	-46.95	306.01	-0.03	-46.98
CC1=C(C)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005045321	0	35	-1.0	-48.90	309.59	-2.42	-51.32
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1C	REAL250005045321	1	35	-1.0	-47.69	309.93	-2.32	-50.01
O=C(CC1CCOCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045322	0	39	-1.0	-47.42	323.81	-1.50	-48.92
CCCCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045323	0	38	-1.0	-50.03	330.47	-0.45	-50.48
O=C(CC1=NOC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045324	0	31	-1.0	-54.07	287.13	-2.02	-56.09
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005045325	0	34	-1.0	-47.59	306.78	-3.86	-51.45
O=C(CC1CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045326	0	36	-1.0	-48.46	307.12	-2.32	-50.78
O=C(NCCNC(=O)C1CC=CC1)C1=CC(=O)[N-]O1	REAL250005045327	0	33	-1.0	-46.66	288.44	-0.59	-47.25
O=C(CC1=NNC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045328	0	32	-1.0	-53.62	291.99	-2.94	-56.56
O=C(NCCNC(=O)C1=CC=NC=C1F)C1=CC(=O)[N-]O1	REAL250005045329	0	31	-1.0	-50.68	288.11	-1.72	-52.40
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=NN1C	REAL250005045330	0	34	-1.0	-49.60	305.02	-3.25	-52.85
CC1=CC=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045331	0	34	-1.0	-47.39	299.54	-1.15	-48.54
CC1=CN=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045332	0	34	-1.0	-47.94	304.73	-1.19	-49.13
CN1CCOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045333	0	38	-1.0	-49.32	323.02	-3.60	-52.92
C[N@@H+]1CCOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045333	1	39	0.0	-79.59	325.85	-1.19	-80.78
C[N@H+]1CCOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045333	1	39	0.0	-79.64	325.85	-1.19	-80.83
CC1=NC(C)=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045334	0	34	-1.0	-47.39	307.26	-4.00	-51.39
O=C(CCC(F)(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045335	0	31	-1.0	-46.59	292.53	-1.21	-47.80
C=CCOCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045336	0	39	-1.0	-49.87	342.83	-0.98	-50.85
O=C(CC1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045337	0	35	-1.0	-47.10	300.80	-0.30	-47.40
O=C(NCCNC(=O)C1=CC=CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005045338	0	32	-1.0	-54.34	292.92	-3.17	-57.51
CC1(C)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005045339	0	41	-1.0	-46.03	333.16	1.27	-44.76
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005045340	0	31	-1.0	-48.01	285.27	-4.74	-52.75
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005045341	0	35	-1.0	-46.97	301.75	-0.24	-47.21
O=C(NCCNC(=O)C1C2CCCC21)C1=CC(=O)[N-]O1	REAL250005045342	0	36	-1.0	-46.53	301.41	0.44	-46.09
N#CC1=CNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045343	0	31	-1.0	-53.48	296.49	-1.80	-55.28
CC1=CSC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045344	0	32	-1.0	-47.17	296.52	-0.46	-47.63
O=C(CCC1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045345	0	38	-1.0	-46.85	322.63	0.49	-46.36
CC1=CC(C)=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045346	0	35	-1.0	-47.01	312.32	-0.54	-47.55
O=C(CCC1=NN=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045347	0	34	-1.0	-53.08	308.30	-1.16	-54.24
O=C(CCC1=NNC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045347	1	34	-1.0	-52.34	308.92	-1.55	-53.89
CC1=CC=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045348	0	34	-1.0	-47.40	301.56	-1.09	-48.49
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CN1	REAL250005045349	0	33	-1.0	-48.91	293.75	-1.61	-50.52
CC=C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045350	0	32	-1.0	-47.08	281.21	-1.08	-48.16
O=C(CCC1CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045351	0	39	-1.0	-48.96	328.35	-1.59	-50.55
O=C(CCC1=COC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045352	0	35	-1.0	-48.40	315.05	-0.62	-49.02
O=C(NCCNC(=O)C1CC(F)(F)C1)C1=CC(=O)[N-]O1	REAL250005045353	0	32	-1.0	-47.36	292.88	-0.92	-48.28
CC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045354	0	35	-1.0	-46.48	299.37	-0.49	-46.97
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)=C1CCCC1	REAL250005045355	0	39	-1.0	-46.60	323.63	0.96	-45.64
O=C(CC1CCCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045356	0	39	-1.0	-49.20	327.01	-0.45	-49.65
CC1=CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005045357	0	35	-1.0	-53.50	313.90	-2.37	-55.87
CC1=NNC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045357	1	35	-1.0	-52.61	314.75	-2.47	-55.08
O=C(C=C1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045358	0	33	-1.0	-47.22	292.06	-0.36	-47.58
O=C(NCCNC(=O)C1=CN=CC(F)=C1)C1=CC(=O)[N-]O1	REAL250005045359	0	31	-1.0	-47.41	289.69	-1.76	-49.17
CCC(=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005045360	0	38	-1.0	-45.56	322.66	0.42	-45.14
O=C(NCCNC(=O)C1=CC(=O)NC=C1)C1=CC(=O)[N-]O1	REAL250005045361	0	32	-1.0	-58.01	293.26	-3.15	-61.16
CC(C)=C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045362	0	32	-1.0	-44.35	286.73	-0.99	-45.34
O=C(NCCNC(=O)C1CCNC(=O)C1)C1=CC(=O)[N-]O1	REAL250005045363	0	36	-1.0	-51.10	311.40	-3.79	-54.89
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CCCC1	REAL250005045364	0	33	-1.0	-46.83	289.48	-0.49	-47.32
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(F)=C1CCCC1	REAL250005045365	0	36	-1.0	-44.45	313.66	0.32	-44.13
CN1C=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045366	0	33	-1.0	-49.52	298.32	-0.45	-49.97
CN1C=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045367	0	32	-1.0	-50.61	293.86	-0.84	-51.45
O=C(CC1COC(=O)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045368	0	35	-1.0	-51.94	309.94	-1.23	-53.17
CC1=C(C)OC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045369	0	35	-1.0	-47.31	314.05	-0.61	-47.92
O=C(CC1=CC=CN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045370	0	34	-1.0	-51.01	307.74	-1.17	-52.18
O=C(NCCNC(=O)C1CCCCO1)C1=CC(=O)[N-]O1	REAL250005045371	0	36	-1.0	-49.79	306.84	-1.00	-50.79
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1=O	REAL250005045372	0	33	-1.0	-48.90	303.65	-4.62	-53.52
CCC(SC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045373	0	35	-1.0	-46.75	314.79	-0.38	-47.13
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1C=CC=C1	REAL250005045374	0	36	-1.0	-50.14	316.19	0.37	-49.77
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NC=N1	REAL250005045375	0	33	-1.0	-46.47	302.23	-1.36	-47.83
CC1(C)CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045376	0	35	-1.0	-46.18	300.02	-0.37	-46.55
N#CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005045377	0	31	-1.0	-48.33	296.69	-1.96	-50.29
CCC(C)OCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045378	0	38	-1.0	-49.93	328.51	-0.50	-50.43
CC1(C)C[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045379	0	35	-1.0	-46.15	300.02	-0.37	-46.52
CC1=CC=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045380	0	35	-1.0	-51.36	315.58	-0.42	-51.78
CC(O)(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005045381	0	39	-1.0	-45.85	323.15	-1.52	-47.37
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005045382	0	37	-1.0	-48.00	317.93	-1.24	-49.24
CSC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045383	0	35	-1.0	-48.50	313.46	-0.57	-49.07
O=C(CN1CCOCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045384	0	38	-1.0	-48.24	319.39	-4.38	-52.62
O=C(NCCNC(=O)[C@@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005045385	0	33	-1.0	-50.48	289.12	-1.84	-52.32
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1C=NC=N1	REAL250005045386	0	34	-1.0	-53.79	306.48	-0.17	-53.96
NC(=O)NC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045387	0	35	-1.0	-55.31	315.61	-6.21	-61.52
CN1CCOCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045388	0	38	-1.0	-47.39	319.56	-4.69	-52.08
CC1=NSC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045389	0	31	-1.0	-47.55	290.60	-1.80	-49.35
C#CCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045390	0	36	-1.0	-47.96	323.18	0.49	-47.47
CC(C)(C)OCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045391	0	38	-1.0	-49.87	321.78	-0.92	-50.79
N#CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005045392	0	31	-1.0	-53.86	296.42	-1.92	-55.78
C#CCNC(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045393	0	34	-1.0	-57.42	316.25	-1.97	-59.39
CCNC(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045394	0	35	-1.0	-57.97	310.47	-2.47	-60.44
CNC(=O)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045395	0	38	-1.0	-58.18	334.01	-3.26	-61.44
COC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045396	0	32	-1.0	-46.17	299.95	-4.64	-50.81
COC(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045397	0	38	-1.0	-47.61	327.61	-1.75	-49.36
CCC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005045398	0	34	-1.0	-47.09	310.77	-3.95	-51.04
O=C(NCCNC(=O)C1=CC=C(F)C=N1)C1=CC(=O)[N-]O1	REAL250005045399	0	31	-1.0	-45.78	291.91	-1.69	-47.47
CN1N=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1N	REAL250005045400	0	34	-1.0	-49.39	303.36	-3.31	-52.70
O=C(NCCNC(=O)C1=CN=CN=C1)C1=CC(=O)[N-]O1	REAL250005045401	0	30	-1.0	-47.96	278.22	-2.02	-49.98
O=C(NCCNC(=O)C1=NC=CC=C1O)C1=CC(=O)[N-]O1	REAL250005045402	0	32	-1.0	-49.89	294.35	-3.20	-53.09
O=C(NCCNC(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL250005045402	1	31	-2.0	-97.31	290.79	-2.20	-99.51
O=C(NCCNC(=O)C1=CCOCC1)C1=CC(=O)[N-]O1	REAL250005045403	0	34	-1.0	-47.58	295.62	-2.24	-49.82
O=C(CC1=COC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045404	0	32	-1.0	-50.01	293.65	-1.42	-51.43
CC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005045405	0	31	-1.0	-47.56	289.29	-4.72	-52.28
O=C(NCCNC(=O)C1=CCCCCC1)C1=CC(=O)[N-]O1	REAL250005045406	0	39	-1.0	-46.62	319.23	0.72	-45.90
C[C@H](NC(N)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045407	0	34	-1.0	-49.65	304.06	-6.61	-56.26
O=C(CC1OCCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045408	0	37	-1.0	-48.96	318.22	-1.97	-50.93
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005045409	0	32	-1.0	-50.13	293.58	-1.25	-51.38
O=C(C=CC1=CC=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045410	0	34	-1.0	-49.12	307.93	-0.96	-50.08
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N(C)C=C1	REAL250005045411	0	36	-1.0	-48.48	320.16	-0.08	-48.56
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CN=N1	REAL250005045412	0	33	-1.0	-48.82	300.10	-2.28	-51.10
O=C(CCN1C=CN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045413	0	34	-1.0	-51.07	309.11	-2.63	-53.70
CC(=O)N1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045414	0	36	-1.0	-54.05	320.59	-2.60	-56.65
CN1OC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL250005045415	0	32	-1.0	-50.37	299.55	-2.66	-53.03
CCC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045416	0	37	-1.0	-46.55	309.35	-0.34	-46.89
COC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045417	0	39	-1.0	-49.49	326.12	-1.49	-50.98
CC1OCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045418	0	39	-1.0	-46.29	321.98	-1.50	-47.79
C#CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045419	0	33	-1.0	-49.74	301.68	-0.29	-50.03
O=C(NCCNC(=O)C1=C(Cl)OC=C1)C1=CC(=O)[N-]O1	REAL250005045420	0	29	-1.0	-48.96	286.62	-1.49	-50.45
C=CC(C)(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045421	0	36	-1.0	-46.62	308.01	-2.42	-49.04
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NS1	REAL250005045422	0	31	-1.0	-46.80	296.72	-1.78	-48.58
CCN1C=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045423	0	35	-1.0	-48.18	311.09	-0.70	-48.88
O=C(NCCNC(=O)C1CCCOCC1)C1=CC(=O)[N-]O1	REAL250005045424	0	39	-1.0	-47.41	316.60	-1.68	-49.09
O=C(CCC1=NC=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045425	0	35	-1.0	-49.87	313.70	-1.89	-51.76
O=C(NCCNC(=O)C1CCC(O)CC1)C1=CC(=O)[N-]O1	REAL250005045426	0	39	-1.0	-47.82	325.16	-3.13	-50.95
CC(C)(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045427	0	35	-1.0	-46.63	297.36	-2.93	-49.56
CC1=CC=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045428	0	33	-1.0	-52.00	302.80	-1.96	-53.96
COC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005045429	0	36	-1.0	-48.16	314.65	-0.51	-48.67
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005045430	0	35	-1.0	-47.37	311.44	-0.50	-47.87
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC=C1	REAL250005045431	0	33	-1.0	-49.05	293.37	-1.57	-50.62
CN1N=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045432	0	31	-1.0	-48.72	283.50	-3.73	-52.45
O=C(NCCNC(=O)C1COC(=O)N1)C1=CC(=O)[N-]O1	REAL250005045433	0	31	-1.0	-56.87	285.29	-5.78	-62.65
CCCCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045434	0	40	-1.0	-46.57	333.57	0.50	-46.07
CC1CC(C)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045435	0	39	-1.0	-48.82	319.70	-0.16	-48.98
O=C(NCCNC(=O)[C@H]1C[C@@H]1C(F)F)C1=CC(=O)[N-]O1	REAL250005045436	0	32	-1.0	-50.65	297.90	-0.64	-51.29
CC1=COC(C)=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045437	0	35	-1.0	-48.34	316.81	-0.65	-48.99
CC1(C)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045438	0	38	-1.0	-46.52	313.64	-0.08	-46.60
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CN1	REAL250005045439	0	36	-1.0	-48.78	315.07	-0.88	-49.66
CC(C)[C@@H](O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045440	0	35	-1.0	-46.66	298.92	-2.63	-49.29
CCOC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045441	0	39	-1.0	-49.44	334.95	-1.16	-50.60
CC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005045442	0	41	-1.0	-45.95	330.61	0.72	-45.23
CN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005045443	0	31	-1.0	-49.84	289.36	-3.75	-53.59
CC1=NN=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045444	0	33	-1.0	-56.18	305.02	-6.45	-62.63
CN1C=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045445	0	31	-1.0	-53.91	288.79	-1.64	-55.55
CNC(=O)NCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045446	0	37	-1.0	-57.71	328.56	-5.39	-63.10
O=C(NCCNC(=O)C1=C(F)C=CS1)C1=CC(=O)[N-]O1	REAL250005045447	0	29	-1.0	-50.54	285.52	-0.98	-51.52
CCN1N=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045448	0	34	-1.0	-47.43	310.68	-3.08	-50.51
CC(C)(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005045449	0	41	-1.0	-45.61	329.80	0.77	-44.84
CCN1N=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045450	0	34	-1.0	-48.42	305.17	-2.85	-51.27
CC1=CSC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045451	0	32	-1.0	-46.75	302.06	-0.38	-47.13
O=C(NCCNC(=O)C1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005045452	0	29	-1.0	-48.18	276.42	-1.43	-49.61
CCC(C)=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045453	0	35	-1.0	-45.92	304.05	-0.29	-46.21
CC1=CN=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045454	0	34	-1.0	-47.38	299.72	-1.16	-48.54
CC(C)C#CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045455	0	33	-1.0	-47.50	302.29	-0.33	-47.83
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CS1	REAL250005045456	0	32	-1.0	-46.64	296.51	-0.36	-47.00
O=C(CC1(O)CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045457	0	36	-1.0	-47.52	307.60	-2.20	-49.72
CC1=CNN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045458	0	32	-1.0	-49.46	289.55	-2.91	-52.37
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005045459	0	36	-1.0	-47.19	309.77	0.39	-46.80
O=C(C#CC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045460	0	31	-1.0	-47.58	291.97	-0.16	-47.74
CC(C)(C)C#CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045461	0	36	-1.0	-47.25	322.43	0.20	-47.05
CC1=NN=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005045462	0	34	-1.0	-60.15	308.12	-2.12	-62.27
CC1=NC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005045462	1	34	-1.0	-54.59	309.51	-2.67	-57.26
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005045463	0	33	-1.0	-48.86	302.20	-2.31	-51.17
O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL250005045464	0	31	-1.0	-49.33	292.38	-1.23	-50.56
CC1=CN(C)N=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045465	0	35	-1.0	-50.17	312.37	-1.58	-51.75
O=C(NCCNC(=O)C1CCCC(F)C1)C1=CC(=O)[N-]O1	REAL250005045466	0	38	-1.0	-46.41	318.86	0.24	-46.17
CN1C=CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045467	0	35	-1.0	-54.54	314.94	-1.63	-56.17
COCC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045468	0	39	-1.0	-46.65	336.61	-1.27	-47.92
COCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045469	0	32	-1.0	-46.83	286.57	-3.29	-50.12
O=C(NCCNC(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005045470	0	32	-1.0	-46.76	279.63	-1.09	-47.85
O=C(NCCNC(=O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005045471	0	35	-1.0	-46.63	295.93	-0.47	-47.10
O=C(NCCNC(=O)C1CCOCC1)C1=CC(=O)[N-]O1	REAL250005045472	0	36	-1.0	-48.05	305.20	-2.21	-50.26
O=C(CC1CCC(=O)N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045473	0	36	-1.0	-54.40	314.14	-3.69	-58.09
CNC(=O)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045474	0	36	-1.0	-47.34	324.17	-3.61	-50.95
CN1N=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045475	0	31	-1.0	-47.82	288.87	-3.93	-51.75
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL250005045476	0	32	-1.0	-47.86	301.49	-0.33	-48.19
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005045477	0	39	-1.0	-47.16	317.95	-1.79	-48.95
CC(C)CC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045478	0	43	-1.0	-46.35	348.01	0.92	-45.43
CC1=NN=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045479	0	33	-1.0	-50.07	294.89	-2.25	-52.32
C[N@@H+]1CCC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045480	0	41	0.0	-72.97	335.02	-0.06	-73.03
C[N@H+]1CCC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045480	1	41	0.0	-71.90	334.65	-0.03	-71.93
CN1C=NC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045481	0	35	-1.0	-54.34	312.68	-0.29	-54.63
CCN1C=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045482	0	35	-1.0	-50.09	315.67	0.08	-50.01
CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045483	0	40	0.0	-66.77	319.14	-0.64	-67.41
CC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C(C)O1	REAL250005045484	0	39	-1.0	-48.92	328.78	-1.51	-50.43
CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045485	0	41	-1.0	-46.62	339.29	0.73	-45.89
CC1CC1C1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045486	0	39	-1.0	-46.72	332.51	1.11	-45.61
O=C(C[C@@H]1C[C@H]1C1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045487	0	39	-1.0	-47.32	337.40	1.45	-45.87
CC1COC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045488	0	36	-1.0	-50.42	309.70	-1.20	-51.62
O=C(NCCNC(=O)[C@]12C[C@H]1CCC2)C1=CC(=O)[N-]O1	REAL250005045489	0	36	-1.0	-46.84	308.03	0.21	-46.63
CC[C@@H]1OCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045490	0	39	-1.0	-47.37	330.21	-1.47	-48.84
CCC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005045491	0	34	-1.0	-46.71	310.42	-1.19	-47.90
CCC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005045492	0	43	-1.0	-46.25	341.11	0.62	-45.63
C[NH+](C)CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045493	0	43	0.0	-72.75	353.85	0.49	-72.26
O=C(NCCNC(=O)[C@@H]1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005045494	0	33	-1.0	-54.66	295.20	-4.47	-59.13
C[C@H]1CC[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045495	0	41	-1.0	-46.26	334.91	0.82	-45.44
CC(C)C(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045496	0	43	0.0	-67.94	337.54	0.62	-67.32
CCC[N@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045497	0	43	0.0	-72.22	350.08	0.31	-71.91
CCC[N@@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045497	1	43	0.0	-72.18	350.08	0.32	-71.86
CCC[N@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045498	0	40	0.0	-69.82	327.71	-0.23	-70.05
CCC[N@@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045498	1	40	0.0	-69.86	327.71	-0.23	-70.09
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005045499	0	43	-1.0	-46.33	339.11	0.40	-45.93
CC1=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005045500	0	35	-1.0	-53.74	313.29	-1.32	-55.06
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005045501	0	35	-1.0	-50.26	309.69	-1.18	-51.44
CC1=NNC(C)=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045502	0	35	-1.0	-49.06	315.29	-2.55	-51.61
CC1=NC=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045503	0	34	-1.0	-48.59	299.59	-1.17	-49.76
CC(C)CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045504	0	43	-1.0	-46.94	356.46	1.26	-45.68
CC(C)(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045505	0	40	-1.0	-46.75	329.63	0.10	-46.65
O=C(NCCNC(=O)C1=CC=NC=N1)C1=CC(=O)[N-]O1	REAL250005045506	0	30	-1.0	-46.71	280.55	-1.98	-48.69
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL250005045507	0	34	-1.0	-48.23	305.08	-1.20	-49.43
O=C(CC1=CC=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045508	0	32	-1.0	-50.96	293.66	-1.24	-52.20
O=C(NCCNC(=O)C1=NC=CC=N1)C1=CC(=O)[N-]O1	REAL250005045509	0	30	-1.0	-51.97	281.12	-2.58	-54.55
CCC(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045510	0	40	-1.0	-46.82	331.69	0.35	-46.47
O=C(NCCNC(=O)C1=CC=CN=N1)C1=CC(=O)[N-]O1	REAL250005045511	0	30	-1.0	-49.07	280.56	-2.91	-51.98
COC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045512	0	33	-1.0	-46.16	305.49	-1.60	-47.76
CC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C(C)O1	REAL250005045513	0	34	-1.0	-47.22	307.29	-3.89	-51.11
O=C(CCN1C=NN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045514	0	33	-1.0	-52.62	303.83	-2.22	-54.84
O=C(NCCNC(=O)C1=NC=CC=C1F)C1=CC(=O)[N-]O1	REAL250005045515	0	31	-1.0	-51.05	290.06	-1.68	-52.73
CC1OCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045516	0	36	-1.0	-48.88	303.46	-2.29	-51.17
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCOC1	REAL250005045517	0	36	-1.0	-46.69	305.37	-2.54	-49.23
CCC(CC)(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045518	0	43	-1.0	-46.74	337.43	0.33	-46.41
CC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005045519	0	39	-1.0	-47.61	320.21	-1.56	-49.17
CCCC(C)(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045520	0	43	-1.0	-46.67	342.99	0.62	-46.05
CCC(CC)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045521	0	40	-1.0	-46.54	323.49	0.18	-46.36
CCC(C)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045522	0	40	-1.0	-46.06	324.48	0.15	-45.91
CCCC(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045523	0	40	-1.0	-46.46	333.07	0.25	-46.21
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(=O)NCC1CC1	REAL250005045524	0	36	-1.0	-45.31	323.20	-3.14	-48.45
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCOC1	REAL250005045525	0	39	-1.0	-48.20	319.15	-1.64	-49.84
CCN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005045526	0	34	-1.0	-49.51	310.93	-2.87	-52.38
CCC1(C)CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045527	0	38	-1.0	-46.12	317.08	0.28	-45.84
CC(C)C1(C)CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045528	0	41	-1.0	-45.97	331.78	0.72	-45.25
COCC(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045529	0	38	-1.0	-48.87	324.07	-1.89	-50.76
COCCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045530	0	41	-1.0	-48.97	339.23	-1.55	-50.52
CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005045531	0	41	-1.0	-46.79	331.94	0.68	-46.11
CC1=NON=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045532	0	33	-1.0	-56.46	305.13	-2.85	-59.31
O=C(COC1CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045533	0	37	-1.0	-51.09	322.90	-2.59	-53.68
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)NC(N)=O	REAL250005045534	0	37	-1.0	-56.04	325.98	-5.67	-61.71
O=C(NCCNC(=O)C1(C(F)F)CC1)C1=CC(=O)[N-]O1	REAL250005045535	0	32	-1.0	-46.86	292.40	-0.76	-47.62
O=C(NCCNC(=O)C1CCC(F)C1)C1=CC(=O)[N-]O1	REAL250005045536	0	35	-1.0	-47.27	302.96	-0.39	-47.66
C[NH+](C)CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045537	0	41	0.0	-70.58	340.12	0.13	-70.45
O=C(NCCNC(=O)C1=CNC(=O)C=N1)C1=CC(=O)[N-]O1	REAL250005045538	0	31	-1.0	-49.17	290.08	-4.89	-54.06
CCCC(CCC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045539	0	43	-1.0	-46.52	350.01	0.93	-45.59
CC1(CCC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045540	0	38	-1.0	-46.95	322.36	0.33	-46.62
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005045541	0	31	-1.0	-46.01	285.52	-1.94	-47.95
O=C(NCCNC(=O)C1(F)CCCCC1)C1=CC(=O)[N-]O1	REAL250005045542	0	38	-1.0	-45.23	319.40	0.14	-45.09
CC[N@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045543	0	40	0.0	-71.46	328.58	-0.43	-71.89
CC[N@@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045543	1	40	0.0	-71.48	328.58	-0.43	-71.91
O=C(NCCNC(=O)C1CC12CCCC2)C1=CC(=O)[N-]O1	REAL250005045544	0	39	-1.0	-46.45	325.92	0.93	-45.52
CC1=CON=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045545	0	31	-1.0	-48.00	285.82	-2.13	-50.13
CCOC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005045546	0	39	-1.0	-49.54	335.19	0.24	-49.30
O=C(CN1N=CN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045547	0	30	-1.0	-55.03	283.23	-3.20	-58.23
CCCC[C@@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045548	0	40	-1.0	-46.55	333.57	0.50	-46.05
C=CCC(CC=C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045549	0	39	-1.0	-46.64	335.15	0.53	-46.11
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC=CCC1	REAL250005045550	0	39	-1.0	-47.05	321.79	0.47	-46.58
CCC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045551	0	40	-1.0	-45.69	320.32	0.00	-45.69
CC(C)C(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045552	0	40	-1.0	-46.12	318.08	-0.18	-46.30
C=CC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045553	0	38	-1.0	-45.53	314.75	-0.08	-45.61
O=C(CN1N=CC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045554	0	31	-1.0	-53.98	288.52	-3.58	-57.56
CC1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045555	0	41	-1.0	-45.82	330.23	0.76	-45.06
CC1CCCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045556	0	41	-1.0	-46.39	334.92	0.82	-45.57
CC1=NC=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045557	0	34	-1.0	-48.59	299.59	-1.17	-49.76
C=CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045558	0	35	-1.0	-47.33	308.71	-0.25	-47.58
CCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045559	0	37	-1.0	-46.65	305.56	-0.63	-47.28
CCCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045560	0	40	-1.0	-46.71	327.06	0.14	-46.57
NC(=O)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045561	0	33	-1.0	-47.42	300.47	-5.07	-52.49
CC1=NOC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045562	0	31	-1.0	-49.99	285.73	-2.01	-52.00
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL250005045563	0	41	-1.0	-46.35	326.44	0.58	-45.77
C[NH+]1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045564	0	41	0.0	-73.93	333.07	0.02	-73.91
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC=CC1	REAL250005045565	0	36	-1.0	-46.90	306.85	-0.05	-46.95
CN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC1=O	REAL250005045566	0	33	-1.0	-51.08	302.03	-3.25	-54.33
COC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005045567	0	38	-1.0	-49.09	321.10	-0.98	-50.07
CC1CC1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045568	0	35	-1.0	-47.26	305.22	-0.15	-47.41
CCCCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045569	0	41	-1.0	-46.81	348.88	1.16	-45.65
C=C1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045570	0	39	-1.0	-46.64	326.41	0.64	-46.00
C=CCCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045571	0	39	-1.0	-46.90	340.36	0.94	-45.96
C=CC(C)(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045572	0	38	-1.0	-46.53	311.01	0.39	-46.14
O=C(NCCNC(=O)C1CCC(F)CC1)C1=CC(=O)[N-]O1	REAL250005045573	0	38	-1.0	-49.53	318.85	0.22	-49.31
O=C(C[C@H]1CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045574	0	36	-1.0	-49.18	307.10	-2.30	-51.48
C=CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045575	0	39	-1.0	-46.89	331.28	0.52	-46.37
O=C(CC1=CCOCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045576	0	37	-1.0	-47.97	319.92	-1.56	-49.53
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005045577	0	35	-1.0	-47.21	311.71	-0.62	-47.83
CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045578	0	35	-1.0	-46.73	305.62	-0.38	-47.11
CC(C)[C@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045579	0	43	0.0	-67.99	337.54	0.62	-67.37
CCC1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045580	0	41	-1.0	-46.61	332.16	0.76	-45.85
CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045581	0	34	-1.0	-46.52	291.33	-1.12	-47.64
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005045582	0	35	-1.0	-47.78	309.69	0.62	-47.16
O=C(NCCNC(=O)C1CC12CCOC2)C1=CC(=O)[N-]O1	REAL250005045583	0	37	-1.0	-47.73	319.39	-1.79	-49.52
COCCCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045584	0	41	-1.0	-47.29	345.74	-1.21	-48.50
CCC(CC(C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045585	0	43	-1.0	-46.57	345.02	0.67	-45.90
CC(C)CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045586	0	43	-1.0	-45.88	339.27	0.64	-45.24
NC(=O)CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045587	0	38	-1.0	-51.82	333.58	-3.96	-55.78
O=C(NCCNC(=O)C(C1CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005045588	0	39	-1.0	-46.43	336.70	1.21	-45.22
O=C(CC1=NNC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045589	0	31	-1.0	-54.72	287.52	-2.52	-57.24
O=C(CC1=NN=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045589	1	31	-1.0	-60.24	286.13	-1.97	-62.21
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL250005045590	0	41	-1.0	-46.50	333.80	0.84	-45.66
CCCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005045591	0	43	-1.0	-46.23	344.53	1.11	-45.12
O=C(NCCNC(=O)C1C=CC=CC=C1)C1=CC(=O)[N-]O1	REAL250005045592	0	35	-1.0	-47.12	303.37	0.30	-46.82
C=C(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045593	0	35	-1.0	-46.63	308.56	-0.38	-47.01
O=C(NCCNC(=O)C1=CC=NS1)C1=CC(=O)[N-]O1	REAL250005045594	0	28	-1.0	-46.76	275.51	-2.41	-49.17
CCC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045595	0	39	-1.0	-50.41	331.18	-0.20	-50.61
COCCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045596	0	39	-1.0	-47.21	339.54	-1.33	-48.54
CC(C)CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045597	0	41	-1.0	-46.59	343.24	0.76	-45.83
COCC(C)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045598	0	41	-1.0	-48.29	339.19	-1.39	-49.68
O=C(CC1CCNC1=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045599	0	36	-1.0	-58.42	311.89	-2.74	-61.16
CC1=NC=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045600	0	34	-1.0	-53.47	310.32	-3.77	-57.24
C[NH+](C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045601	0	41	0.0	-71.74	322.67	-0.48	-72.22
CC1CCCC1(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045602	0	41	-1.0	-46.74	327.51	1.12	-45.62
CC(F)(F)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045603	0	31	-1.0	-52.68	284.80	-1.39	-54.07
COC(CC(C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045604	0	41	-1.0	-48.67	338.35	0.13	-48.54
CCCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045605	0	38	-1.0	-46.68	327.38	0.38	-46.30
C[C@@]1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC(=O)N1	REAL250005045606	0	36	-1.0	-49.89	313.16	-3.73	-53.62
CCC1=NOC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045607	0	34	-1.0	-49.82	307.21	-1.28	-51.10
CC1COCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045608	0	39	-1.0	-47.56	321.81	-1.65	-49.21
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CN1C	REAL250005045609	0	36	-1.0	-49.33	314.35	0.04	-49.29
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=C(Cl)N1	REAL250005045610	0	30	-1.0	-46.34	292.47	-1.86	-48.20
COCC(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045611	0	36	-1.0	-49.16	315.78	-2.82	-51.98
CC1(C)CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045612	0	41	-1.0	-46.58	336.55	0.68	-45.90
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCCO1	REAL250005045613	0	39	-1.0	-50.09	325.10	-0.57	-50.66
CCC[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045614	0	38	-1.0	-46.68	327.70	0.63	-46.05
O=C(NCCNC(=O)C12CC1CCCC2)C1=CC(=O)[N-]O1	REAL250005045615	0	39	-1.0	-46.57	321.03	0.74	-45.83
CC(C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045616	0	38	-1.0	-46.56	318.01	-0.01	-46.57
C=C1CC(C)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045617	0	36	-1.0	-46.28	310.89	-0.04	-46.32
CC(C)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(F)F	REAL250005045618	0	34	-1.0	-47.41	300.96	-0.94	-48.35
CC1=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005045619	0	35	-1.0	-50.87	314.21	-0.60	-51.47
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005045620	0	34	-1.0	-47.87	306.74	-4.00	-51.87
O=C(NCCNC(=O)C1(CF)CC1)C1=CC(=O)[N-]O1	REAL250005045621	0	32	-1.0	-46.20	285.89	-0.88	-47.08
O=C(NCCNC(=O)C1CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL250005045622	0	36	-1.0	-46.51	311.99	0.30	-46.21
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL250005045623	0	35	-1.0	-50.70	312.76	-0.22	-50.92
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCNC1=O	REAL250005045624	0	36	-1.0	-48.10	312.01	-4.26	-52.36
CC1CCC[N@@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045625	0	41	0.0	-66.37	327.19	-0.25	-66.62
CC1CCC[N@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045625	1	41	0.0	-67.07	333.65	0.12	-66.95
O=C(NCCNC(=O)C1=CNC(=O)C=C1)C1=CC(=O)[N-]O1	REAL250005045626	0	32	-1.0	-51.43	292.90	-3.13	-54.56
CCCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045627	0	40	-1.0	-46.96	338.89	0.75	-46.21
CC(C)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045628	0	37	-1.0	-46.05	306.47	-0.48	-46.53
CC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045629	0	38	-1.0	-46.66	316.57	0.14	-46.52
CCN1C=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045630	0	35	-1.0	-50.16	315.22	-1.42	-51.58
CCOC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005045631	0	41	-1.0	-49.13	343.45	-0.02	-49.15
C#CCOCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045632	0	34	-1.0	-48.20	314.21	-1.78	-49.98
C#CCOC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045633	0	34	-1.0	-52.46	313.05	-0.79	-53.25
O=C(CCOCC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045634	0	39	-1.0	-46.77	340.10	-0.74	-47.51
CC(C)(C(N)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045635	0	35	-1.0	-57.54	302.92	-3.52	-61.06
CC(C)[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045636	0	43	0.0	-67.56	334.73	0.87	-66.69
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N(C)C=N1	REAL250005045637	0	35	-1.0	-50.19	315.04	-0.43	-50.62
O=C(CC1=CN=CS1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045638	0	31	-1.0	-50.43	297.67	-2.12	-52.55
O=C(NCCNC(=O)C1=CC(=O)NN=C1)C1=CC(=O)[N-]O1	REAL250005045639	0	31	-1.0	-51.67	288.22	-4.52	-56.19
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC(=O)N1	REAL250005045640	0	33	-1.0	-49.75	297.97	-4.73	-54.48
O=C(NCCNC(=O)C1(C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005045641	0	36	-1.0	-46.58	305.09	0.60	-45.98
COC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045642	0	36	-1.0	-46.38	313.01	-2.10	-48.48
O=C(NCCNC(=O)[C@H]1CCCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005045643	0	36	-1.0	-54.05	312.72	-3.54	-57.59
CC1CC[N@H+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045644	0	41	0.0	-69.13	334.36	0.12	-69.01
CC1CC[N@@H+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045644	1	41	0.0	-69.16	333.87	0.10	-69.06
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045645	0	33	-1.0	-52.99	299.17	-4.92	-57.91
CC[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045646	0	40	0.0	-66.74	319.14	-0.65	-67.39
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)(F)F	REAL250005045647	0	34	-1.0	-52.15	300.00	-0.91	-53.06
CC1=NC(C)=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005045648	0	35	-1.0	-49.74	310.20	-2.07	-51.81
CC1=NN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005045649	0	35	-1.0	-55.49	315.04	-1.38	-56.87
O=C(CCC1=NNN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045650	0	34	-1.0	-48.63	308.10	-3.51	-52.14
O=C(CCC1=CNN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045650	1	34	-1.0	-51.84	308.20	-3.43	-55.27
O=C(NCCNC(=O)C1(CF)CCC1)C1=CC(=O)[N-]O1	REAL250005045651	0	35	-1.0	-46.08	300.18	-0.49	-46.57
C=C[C@@H]1OCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045652	0	37	-1.0	-47.41	321.89	-1.72	-49.13
CC(C)C[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045653	0	41	-1.0	-46.69	346.95	1.17	-45.52
CC[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045654	0	35	-1.0	-46.79	306.20	-0.16	-46.95
O=C(NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1=CC(=O)[N-]O1	REAL250005045655	0	37	-1.0	-50.32	311.05	-1.94	-52.26
CCC(NC(C)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045656	0	38	-1.0	-48.12	324.80	-3.22	-51.34
CC(C)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045657	0	40	-1.0	-46.85	334.96	0.48	-46.37
O=C(CN1C=NC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045658	0	31	-1.0	-57.11	287.87	-0.51	-57.62
NC(=O)NCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045659	0	34	-1.0	-57.37	306.63	-6.84	-64.21
CC1=CN=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045660	0	34	-1.0	-47.38	299.72	-1.16	-48.54
O=C(NCCNC(=O)C1CCC1(F)F)C1=CC(=O)[N-]O1	REAL250005045661	0	32	-1.0	-51.55	290.70	-0.89	-52.44
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=NSC=C1	REAL250005045662	0	28	-1.0	-46.96	274.77	-2.58	-49.54
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005045663	0	38	-1.0	-46.43	318.75	0.30	-46.13
O=C(CC1C=CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045664	0	39	-1.0	-47.38	325.03	0.79	-46.59
CCOCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045665	0	39	-1.0	-49.10	339.97	-1.06	-50.16
O=C(NCCNC(=O)C1CC2C=CC1O2)C1=CC(=O)[N-]O1	REAL250005045666	0	35	-1.0	-50.36	304.11	-2.05	-52.41
COC1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045667	0	39	-1.0	-47.70	330.25	-1.46	-49.16
CC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CO1	REAL250005045668	0	36	-1.0	-48.43	308.04	-2.21	-50.64
O=C(NCCNC(=O)C1CCCC2CC21)C1=CC(=O)[N-]O1	REAL250005045669	0	39	-1.0	-46.59	321.17	0.76	-45.83
O=C(CC1CCC2CC21)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045670	0	39	-1.0	-46.38	324.51	0.95	-45.43
O=C(NCCNC(=O)C1CCC2CC2C1)C1=CC(=O)[N-]O1	REAL250005045671	0	39	-1.0	-46.35	321.33	0.85	-45.50
CCC(C)C(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045672	0	41	-1.0	-44.64	339.55	-0.98	-45.62
COC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045673	0	39	-1.0	-47.36	329.57	-1.45	-48.81
CCC(CC)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045674	0	43	-1.0	-45.40	337.07	0.79	-44.61
O=C(NCCNC(=O)C1CC12CC2)C1=CC(=O)[N-]O1	REAL250005045675	0	33	-1.0	-47.15	295.86	-0.12	-47.27
O=C(CC1=CNC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045676	0	32	-1.0	-54.76	291.43	-1.70	-56.46
O=C(CC1=CN=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045676	1	32	-1.0	-53.76	292.29	-1.89	-55.65
C=CCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045677	0	38	-1.0	-46.42	320.49	-0.03	-46.45
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C(C)N1	REAL250005045678	0	36	-1.0	-48.38	315.65	-1.04	-49.42
O=C(NCCNC(=O)C1CC12CCC2)C1=CC(=O)[N-]O1	REAL250005045679	0	36	-1.0	-46.68	310.73	0.35	-46.33
CC1=CC=NN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045680	0	35	-1.0	-53.22	314.88	-1.49	-54.71
CC1=CNC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045681	0	33	-1.0	-51.90	294.26	-1.51	-53.41
CN1C=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045682	0	32	-1.0	-50.42	293.91	-2.27	-52.69
CC1=NC=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045683	0	35	-1.0	-54.60	314.49	-0.50	-55.10
CC1=[NH+]C=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045683	1	36	0.0	-66.54	317.92	-0.03	-66.57
CCN1C=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045684	0	36	-1.0	-47.61	315.05	0.26	-47.35
O=C(CC1CCCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045685	0	39	-1.0	-49.35	323.74	-1.49	-50.84
O=C(NCCNC(=O)C1CCC=CCC1)C1=CC(=O)[N-]O1	REAL250005045686	0	39	-1.0	-46.69	320.07	0.66	-46.03
CC1=NC=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045687	0	33	-1.0	-46.68	302.39	-2.02	-48.70
O=C(NCCNC(=O)C1(F)CCCC1)C1=CC(=O)[N-]O1	REAL250005045688	0	35	-1.0	-45.25	302.10	-0.49	-45.74
CN1C=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045689	0	32	-1.0	-49.31	288.46	-0.93	-50.24
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005045690	0	34	-1.0	-46.83	306.72	-1.04	-47.87
O=C(CC1=CSC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045691	0	31	-1.0	-51.49	296.39	-2.21	-53.70
CN(C)C(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045692	0	35	-1.0	-58.46	306.76	-1.37	-59.83
O=C(CCC1=CNN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045693	0	35	-1.0	-49.90	314.16	-2.10	-52.00
O=C(NCCNC(=O)[C@@H]1C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL250005045694	0	36	-1.0	-46.79	316.99	0.66	-46.13
O=C(NCCNC(=O)[C@@H]1C[C@H]1C1CCC1)C1=CC(=O)[N-]O1	REAL250005045695	0	39	-1.0	-46.70	333.65	1.18	-45.52
COCCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045696	0	38	-1.0	-49.07	324.24	-1.99	-51.06
CCC(C)(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045697	0	40	-1.0	-46.67	321.49	-0.15	-46.82
COCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045698	0	36	-1.0	-49.59	319.34	-2.05	-51.64
COCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045699	0	38	-1.0	-46.08	322.93	-1.92	-48.00
O=C(CCC1=NOC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045700	0	34	-1.0	-49.41	309.28	-1.28	-50.69
CC1=CN=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045701	0	35	-1.0	-54.26	314.82	0.19	-54.07
CC1=C[NH+]=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045701	1	36	0.0	-69.24	318.25	0.70	-68.54
C[C@@H]1[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL250005045702	0	41	0.0	-73.18	325.08	-0.67	-73.85
C[C@@H]1[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL250005045702	1	41	0.0	-70.49	330.56	-0.15	-70.64
O=C(NCCNC(=O)[C@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005045703	0	33	-1.0	-50.41	288.92	-1.79	-52.20
O=C(CCC(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045704	0	31	-1.0	-49.37	287.06	-1.32	-50.69
COCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045705	0	39	-1.0	-46.17	326.92	-0.85	-47.02
CC(CC(F)F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045706	0	34	-1.0	-48.47	301.11	-0.83	-49.30
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(F)=CN1	REAL250005045707	0	30	-1.0	-50.20	281.85	-2.19	-52.39
CC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045708	0	35	-1.0	-46.79	303.83	-0.33	-47.12
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CNC(=O)C1	REAL250005045709	0	36	-1.0	-50.20	312.35	-4.29	-54.49
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC2CC2C1	REAL250005045710	0	39	-1.0	-46.66	324.67	0.72	-45.94
O=C(NCCNC(=O)C1(CCF)CC1)C1=CC(=O)[N-]O1	REAL250005045711	0	35	-1.0	-47.02	312.46	-0.27	-47.29
COCC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045712	0	41	-1.0	-47.82	337.69	-1.27	-49.09
O=C(COCC(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045713	0	32	-1.0	-55.96	300.49	-1.73	-57.69
O=C(NCCNC(=O)[C@]12C[C@H]1COC2)C1=CC(=O)[N-]O1	REAL250005045714	0	34	-1.0	-48.41	299.32	-2.37	-50.78
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045716	0	32	-1.0	-46.61	281.17	-0.99	-47.60
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CNC=C1	REAL250005045717	0	30	-1.0	-52.38	275.53	-2.19	-54.57
CC1CCCC1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045718	0	41	-1.0	-46.66	330.49	0.69	-45.97
CCC(=O)NC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045719	0	38	-1.0	-48.52	331.43	-3.02	-51.54
CN1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1=O	REAL250005045720	0	36	-1.0	-54.93	315.41	-2.47	-57.40
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005045721	0	38	-1.0	-46.25	320.79	0.45	-45.80
O=C(NCCNC(=O)C1(C2CC2)CCC1)C1=CC(=O)[N-]O1	REAL250005045722	0	39	-1.0	-46.47	320.88	0.89	-45.58
COC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005045723	0	32	-1.0	-47.82	300.23	-6.44	-54.26
CC(C)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005045724	0	41	-1.0	-46.75	330.04	0.56	-46.19
COC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005045725	0	39	-1.0	-48.37	331.71	-0.06	-48.43
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSN=N1	REAL250005045726	0	27	-1.0	-47.29	270.27	-3.69	-50.98
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005045727	0	38	-1.0	-46.59	314.23	0.05	-46.54
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=CO1	REAL250005045728	0	28	-1.0	-48.26	267.30	-5.35	-53.61
O=C(CCN1C=CN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045729	0	35	-1.0	-49.69	314.79	0.20	-49.49
CNC(=O)NCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045730	0	34	-1.0	-50.09	306.43	-6.03	-56.12
O=C(CCC1=CNC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045731	0	35	-1.0	-50.89	313.62	-1.03	-51.92
O=C(CCC1=CN=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045731	1	35	-1.0	-50.64	313.69	-1.06	-51.70
C[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005045732	0	41	0.0	-67.63	334.70	0.34	-67.29
C[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005045732	1	41	0.0	-67.94	334.60	0.33	-67.61
CN(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005045732	1	40	-1.0	-46.96	332.86	-1.87	-48.83
O=C(NCCNC(=O)C1=CC=C(F)C=N1)C1=CC(=O)[N-]O1	REAL250005045733	0	31	-1.0	-45.78	291.91	-1.69	-47.47
C=CCCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045734	0	36	-1.0	-49.99	321.78	-0.67	-50.66
C=CCOC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045735	0	36	-1.0	-50.23	320.17	-0.76	-50.99
CC(C)OCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045736	0	41	-1.0	-49.49	350.20	-0.81	-50.30
NC(=O)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045737	0	35	-1.0	-57.88	312.08	-4.75	-62.63
C[NH+]1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045738	0	41	0.0	-73.93	333.07	0.02	-73.91
CC1=NNC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045739	0	32	-1.0	-51.19	288.50	-3.02	-54.21
C#CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005045740	0	34	-1.0	-48.52	315.49	1.14	-47.38
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005045741	0	31	-1.0	-48.10	283.18	-4.35	-52.45
CC1=NNN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045741	1	31	-1.0	-46.21	284.40	-4.43	-50.64
CCCC(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045742	0	38	-1.0	-48.44	328.11	-0.67	-49.11
C=C(C)C(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045743	0	38	-1.0	-46.36	316.17	-0.18	-46.54
CC(CC(N)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045744	0	35	-1.0	-48.43	305.91	-4.91	-53.34
NC(=O)C1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045745	0	36	-1.0	-51.69	316.66	-4.44	-56.13
O=C(NCCNC(=O)C1CCNC1=O)C1=CC(=O)[N-]O1	REAL250005045746	0	33	-1.0	-48.61	293.45	-4.77	-53.38
CN1C(=O)NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045747	0	33	-1.0	-54.97	298.14	-3.38	-58.35
CN1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC1=O	REAL250005045748	0	35	-1.0	-57.01	311.14	-4.61	-61.62
C=CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045749	0	35	-1.0	-46.79	300.09	-0.73	-47.52
C#CCCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045750	0	39	-1.0	-49.18	344.68	1.27	-47.91
C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045751	0	38	0.0	-68.68	308.48	-1.09	-69.77
C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045751	1	38	0.0	-66.67	314.77	-0.57	-67.24
CN1CCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045751	1	37	-1.0	-48.24	313.76	-2.98	-51.22
C[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045752	0	32	-1.0	-46.80	284.79	-0.92	-47.72
O=C(CC1CC=CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045753	0	39	-1.0	-47.32	324.85	0.81	-46.51
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045754	0	35	-1.0	-46.61	296.82	-0.57	-47.18
CCC(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045755	0	31	-1.0	-47.54	280.67	-1.56	-49.10
O=C(CCCF)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045756	0	31	-1.0	-49.69	280.99	-1.45	-51.14
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(F)(F)F	REAL250005045757	0	31	-1.0	-49.24	288.27	-1.33	-50.57
CC1=COC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045758	0	32	-1.0	-49.97	290.54	-1.39	-51.36
C[C@H]1C[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045759	0	32	-1.0	-46.79	284.80	-0.92	-47.71
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CCC1	REAL250005045760	0	36	-1.0	-46.40	307.18	-0.05	-46.45
CN1C(=O)CC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045761	0	36	-1.0	-54.60	314.06	-2.39	-56.99
CN1N=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045762	0	30	-1.0	-49.86	283.75	-4.35	-54.21
CC1(C)CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045763	0	41	-1.0	-46.36	331.61	0.59	-45.77
C[C@@H]1OCCO[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045764	0	37	-1.0	-49.21	305.98	-1.69	-50.90
CC[C@@H]1CCO[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045765	0	39	-1.0	-50.30	322.41	0.11	-50.19
CC1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1C1CC1	REAL250005045766	0	39	-1.0	-45.40	330.02	1.26	-44.14
O=C(NCCNC(=O)C1CCCC12CC2)C1=CC(=O)[N-]O1	REAL250005045767	0	39	-1.0	-46.71	326.49	0.73	-45.98
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005045768	0	32	-1.0	-50.45	288.21	-1.90	-52.35
CC1CCC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045769	0	41	-1.0	-46.71	336.65	0.88	-45.83
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N(C)N=C1	REAL250005045770	0	35	-1.0	-48.05	315.21	-1.76	-49.81
CC(C)C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045771	0	34	-1.0	-48.19	299.89	-1.06	-49.25
CCCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045772	0	41	-1.0	-46.64	338.37	0.69	-45.95
C=CC(C)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045773	0	38	-1.0	-45.89	320.97	0.09	-45.80
CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045774	0	38	-1.0	-46.69	316.86	-0.07	-46.76
O=C(NCCNC(=O)C1CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL250005045775	0	39	-1.0	-46.46	328.49	0.77	-45.69
CC#CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045776	0	36	-1.0	-50.52	323.50	0.66	-49.86
O=C(NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=CC(=O)[N-]O1	REAL250005045777	0	34	-1.0	-46.51	299.17	-2.20	-48.71
O=C(CCCC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045778	0	38	-1.0	-47.24	327.51	0.76	-46.48
CN1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1=O	REAL250005045779	0	36	-1.0	-48.91	315.49	-2.49	-51.40
CCCC(OCC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045780	0	41	-1.0	-48.40	349.19	0.32	-48.08
CC1(C)CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045781	0	38	-1.0	-46.10	315.21	0.00	-46.10
CC1=COC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045782	0	32	-1.0	-47.36	294.41	-1.35	-48.71
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC(=O)N1	REAL250005045783	0	29	-1.0	-50.53	284.24	-4.24	-54.77
C=CC(CC)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045784	0	38	-1.0	-46.63	322.78	0.19	-46.44
CC(C)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005045785	0	38	-1.0	-47.04	314.48	0.11	-46.93
O=C(NCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1=CC(=O)[N-]O1	REAL250005045786	0	36	-1.0	-46.64	307.33	0.26	-46.38
O=C(CC1=CON=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045787	0	31	-1.0	-52.01	287.89	-1.98	-53.99
CN1C(=O)CC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045788	0	36	-1.0	-54.37	312.61	-2.37	-56.74
CC1(C)CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045789	0	41	-1.0	-47.06	341.09	0.79	-46.27
O=C(NCCNC(=O)C1(F)CCOC1)C1=CC(=O)[N-]O1	REAL250005045790	0	33	-1.0	-45.97	293.09	-3.07	-49.04
CC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1C	REAL250005045791	0	35	-1.0	-49.37	308.91	-1.10	-50.47
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005045792	0	40	-1.0	-45.49	318.36	-0.09	-45.58
O=C(NCCNC(=O)C12CCC(CC1)C2)C1=CC(=O)[N-]O1	REAL250005045793	0	39	-1.0	-46.49	321.51	0.44	-46.05
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045794	0	41	0.0	-67.47	321.12	-0.22	-67.69
C[N@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045794	1	41	0.0	-67.54	321.14	-0.21	-67.75
CN1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045794	1	40	-1.0	-46.92	327.48	-2.27	-49.19
CC1=CC(C)=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005045795	0	36	-1.0	-48.40	315.30	-1.03	-49.43
O=C(CC1=CC=CN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045796	0	34	-1.0	-51.01	307.74	-1.17	-52.18
CCC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045797	0	35	-1.0	-46.69	315.92	-0.44	-47.13
CC(F)(F)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045798	0	34	-1.0	-46.37	307.01	-0.68	-47.05
O=C(NCCNC(=O)C1CCC(=O)NC1)C1=CC(=O)[N-]O1	REAL250005045799	0	36	-1.0	-51.40	311.24	-3.81	-55.21
CCC1=NNC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045800	0	35	-1.0	-50.96	309.98	-2.30	-53.26
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=NNN=C1	REAL250005045801	0	28	-1.0	-46.53	265.81	-5.03	-51.56
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=NN1	REAL250005045801	1	28	-1.0	-48.54	264.91	-4.96	-53.50
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1C	REAL250005045802	0	35	-1.0	-50.26	313.24	-1.79	-52.05
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CN=N1	REAL250005045803	0	33	-1.0	-48.82	300.10	-2.28	-51.10
O=C(NCCNC(=O)C1=CC=CC=C1O)C1=CC(=O)[N-]O1	REAL250005045804	0	33	-1.0	-49.87	297.13	-1.52	-51.39
O=C(NCCNC(=O)C1=CC=CC(O)=C1)C1=CC(=O)[N-]O1	REAL250005045805	0	33	-1.0	-50.00	299.31	-2.91	-52.91
NC(=O)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045806	0	30	-1.0	-49.63	282.86	-5.71	-55.34
NC1=NC=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045807	0	33	-1.0	-48.11	293.17	-2.70	-50.81
NC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045808	0	30	-1.0	-46.54	282.05	-3.42	-49.96
O=C(NCCNC(=O)C1=CC=C[N+]([O-])=C1)C1=CC(=O)[N-]O1	REAL250005045809	0	32	-1.0	-64.37	295.56	-1.44	-65.81
COC(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045810	0	31	-1.0	-54.75	284.84	-1.39	-56.14
O=C(NCCNC(=O)C1=CC(=O)NC=N1)C1=CC(=O)[N-]O1	REAL250005045811	0	31	-1.0	-55.34	290.44	-3.23	-58.57
C#CCSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045812	0	31	-1.0	-51.46	303.20	-0.51	-51.97
CSC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045813	0	30	-1.0	-46.57	288.52	-1.45	-48.02
O=C(NCCNC(=O)C1=CNC=CC1=O)C1=CC(=O)[N-]O1	REAL250005045814	0	32	-1.0	-58.76	291.24	-2.10	-60.86
CC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CS1	REAL250005045815	0	33	-1.0	-50.11	306.78	-3.23	-53.34
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)(F)F	REAL250005045816	0	27	-1.0	-44.08	274.27	-2.81	-46.89
CCC(=O)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045817	0	37	-1.0	-45.95	329.50	-0.40	-46.35
O=C(NCCNC(=O)C1(CO)CCC1)C1=CC(=O)[N-]O1	REAL250005045818	0	36	-1.0	-47.61	304.66	-3.25	-50.86
NC1=NN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005045819	0	34	-1.0	-56.17	308.55	-3.10	-59.27
O=C(NCCNC(=O)C1CCCCC1O)C1=CC(=O)[N-]O1	REAL250005045820	0	39	-1.0	-48.59	321.68	-1.92	-50.51
CN1C=CN=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045821	0	35	-1.0	-54.19	313.43	-1.20	-55.39
CC1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL250005045822	0	41	0.0	-70.44	330.71	-0.20	-70.64
CC1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL250005045822	1	41	0.0	-70.19	334.96	-0.24	-70.43
O=C(NCCNC(=O)C1=CN=CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005045823	0	31	-1.0	-50.15	288.15	-4.94	-55.09
O=C(NCCNC(=O)C1=CNC(=O)S1)C1=CC(=O)[N-]O1	REAL250005045824	0	29	-1.0	-48.88	286.04	-4.09	-52.97
NC(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045825	0	32	-1.0	-49.28	290.58	-5.53	-54.81
C=CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045826	0	36	-1.0	-46.98	318.48	0.20	-46.78
O=C(COC(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045827	0	29	-1.0	-49.47	277.22	-2.64	-52.11
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC(=O)N1	REAL250005045828	0	36	-1.0	-49.85	313.11	-3.68	-53.53
O=C(NCCNC(=O)C1=CCCS1)C1=CC(=O)[N-]O1	REAL250005045829	0	31	-1.0	-47.31	290.00	-0.82	-48.13
CC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045830	0	33	-1.0	-55.11	298.27	-1.71	-56.82
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(=O)NC1CC1	REAL250005045831	0	33	-1.0	-45.60	301.78	-3.82	-49.42
CCC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045832	0	36	-1.0	-55.01	318.96	-0.85	-55.86
NC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045833	0	31	-1.0	-48.29	286.23	-4.85	-53.14
O=C(NCCNC(=O)C1CCSC1)C1=CC(=O)[N-]O1	REAL250005045834	0	33	-1.0	-46.68	296.69	-0.76	-47.44
O=C(NCCNC(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005045835	0	30	-1.0	-50.99	271.79	-2.83	-53.82
CCCC(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045836	0	38	-1.0	-50.20	326.57	-2.43	-52.63
CC(C)(CC#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045837	0	35	-1.0	-47.49	308.37	-0.94	-48.43
O=C(NCCNC(=O)C1(Cl)CC1)C1=CC(=O)[N-]O1	REAL250005045838	0	29	-1.0	-44.75	278.89	-1.05	-45.80
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CCCO1	REAL250005045839	0	31	-1.0	-46.31	281.00	-2.47	-48.78
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=C(CO)O1	REAL250005045840	0	33	-1.0	-49.32	305.84	-4.56	-53.88
O=C(NCCNC(=O)C1(CO)COC1)C1=CC(=O)[N-]O1	REAL250005045841	0	34	-1.0	-50.32	296.47	-5.96	-56.28
CC1CC(C#N)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045842	0	36	-1.0	-46.73	319.49	-0.30	-47.03
CC(C)=CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045843	0	38	-1.0	-46.66	325.93	0.38	-46.28
CC=C(C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005045844	0	39	-1.0	-46.82	336.85	0.85	-45.97
O=C(NCCNC(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005045845	0	30	-1.0	-47.54	270.26	-3.85	-51.39
O=C(C=CC1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045846	0	39	-1.0	-46.66	331.80	0.91	-45.75
O=C(CC1CCC(=O)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045847	0	37	-1.0	-52.67	319.20	-0.64	-53.31
N#CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045848	0	34	-1.0	-53.69	307.95	-0.17	-53.86
CC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005045849	0	36	-1.0	-50.46	310.24	-0.99	-51.45
NC1=CNN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045850	0	31	-1.0	-48.65	283.49	-5.55	-54.20
NC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NN=C1	REAL250005045850	1	31	-1.0	-47.41	282.35	-5.52	-52.93
O=C(C=CCO)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045851	0	30	-1.0	-50.33	277.58	-5.11	-55.44
O=C(NCCNC(=O)C1(CO)CCCO1)C1=CC(=O)[N-]O1	REAL250005045852	0	37	-1.0	-47.39	318.25	-5.13	-52.52
CCC1=CNC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045853	0	36	-1.0	-51.67	316.01	-0.75	-52.42
O=C(NCCNC(=O)[C@@H]1CCC[C@H]1CF)C1=CC(=O)[N-]O1	REAL250005045854	0	38	-1.0	-48.08	324.19	0.22	-47.86
CC(C)[C@@H](O)[C@@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045855	0	41	-1.0	-49.30	334.94	-1.73	-51.03
O=CN1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045856	0	36	-1.0	-54.81	315.40	-2.19	-57.00
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045857	0	31	-1.0	-46.05	287.91	-3.06	-49.11
CC1=NN=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005045857	1	31	-1.0	-49.16	288.12	-2.79	-51.95
CC1=CN=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045858	0	33	-1.0	-48.39	302.08	-2.26	-50.65
O=C(NCCNC(=O)[C@@H]1C[C@@H]1C(F)F)C1=CC(=O)[N-]O1	REAL250005045859	0	32	-1.0	-48.82	290.42	-0.61	-49.43
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)N1	REAL250005045860	0	29	-1.0	-53.06	276.04	-4.98	-58.04
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL250005045860	1	28	-2.0	-85.04	273.91	-6.65	-91.69
CC=CC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045861	0	33	-1.0	-47.13	298.61	-3.09	-50.22
CCCC[C@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045862	0	40	-1.0	-46.56	333.57	0.50	-46.06
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045863	0	37	0.0	-68.11	306.39	-1.23	-69.34
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005045863	1	36	-1.0	-47.26	300.56	-3.65	-50.91
CCC=C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045864	0	32	-1.0	-44.55	291.75	-0.95	-45.50
O=C(NCCNC(=O)C1C2(CC2)C12CC2)C1=CC(=O)[N-]O1	REAL250005045865	0	37	-1.0	-47.15	328.35	1.37	-45.78
CCC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045866	0	32	-1.0	-46.89	287.56	-0.99	-47.88
CN1N=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1N	REAL250005045867	0	33	-1.0	-49.38	299.75	-4.72	-54.10
CCC(F)(F)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045868	0	34	-1.0	-52.64	304.70	-0.68	-53.32
CC1=NOC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045869	0	34	-1.0	-52.47	309.72	-1.38	-53.85
O=C(CC1=CSN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045870	0	30	-1.0	-55.79	290.51	-2.93	-58.72
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005045871	0	39	-1.0	-45.73	319.35	0.87	-44.86
O=C(C[C@H]1COC(=O)N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045872	0	34	-1.0	-55.37	304.60	-5.03	-60.40
CC(C)C1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045873	0	41	-1.0	-46.62	341.38	0.87	-45.75
CC1CCOC1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045874	0	39	-1.0	-50.08	323.36	-0.97	-51.05
O=C(NCCNC(=O)C1CNC(=O)C1)C1=CC(=O)[N-]O1	REAL250005045875	0	33	-1.0	-52.94	293.43	-4.79	-57.73
NC1=CN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL250005045876	0	34	-1.0	-54.56	308.75	-4.09	-58.65
NC1=NON=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045877	0	29	-1.0	-44.40	275.35	-4.35	-48.75
O=C(COC(F)(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045878	0	29	-1.0	-49.03	283.96	-2.41	-51.44
O=C(NCCNC(=O)[C@@H]1CNC(=O)N1)C1=CC(=O)[N-]O1	REAL250005045879	0	32	-1.0	-56.57	289.10	-6.92	-63.49
O=C(NCCNC(=O)C1=CN=CS1)C1=CC(=O)[N-]O1	REAL250005045880	0	28	-1.0	-47.89	275.45	-2.91	-50.80
O=C(CC[NH+]1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045881	0	41	0.0	-70.87	336.81	0.08	-70.79
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1N	REAL250005045882	0	34	-1.0	-47.65	303.53	-4.91	-52.56
[N-]=[N+]=NCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045883	0	30	-1.0	-46.48	283.04	-5.74	-52.22
C#CCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045884	0	31	-1.0	-52.99	293.26	-1.50	-54.49
O=C(CC1=NN=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045885	0	30	-1.0	-56.12	283.03	-7.20	-63.32
CN(CCO)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045886	0	37	-1.0	-50.59	316.03	-6.50	-57.09
C[N@H+](CCO)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045886	1	38	0.0	-70.45	316.57	-4.21	-74.66
C[N@@H+](CCO)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045886	1	38	0.0	-70.10	316.35	-4.21	-74.31
O=C(NCCNC(=O)C1CCCS1)C1=CC(=O)[N-]O1	REAL250005045887	0	33	-1.0	-47.84	297.32	-0.74	-48.58
COC(=O)CC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045888	0	37	-1.0	-47.08	323.70	-1.03	-48.11
COC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045889	0	38	-1.0	-48.77	315.45	-1.11	-49.88
CC(O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045890	0	35	-1.0	-47.13	306.20	-4.10	-51.23
CCS(O)=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045891	0	33	-1.0	-56.51	303.98	-4.92	-61.43
NC1=CN=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045892	0	33	-1.0	-48.53	298.40	-3.96	-52.49
N#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005045893	0	36	-1.0	-46.96	314.44	-0.42	-47.38
O=C(CN1C=CC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045894	0	33	-1.0	-51.36	299.07	-0.03	-51.39
O=C(NCCNC(=O)C1CCCCS1)C1=CC(=O)[N-]O1	REAL250005045895	0	36	-1.0	-47.44	315.81	-0.08	-47.52
CC1=NOC(C)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045896	0	36	-1.0	-48.13	317.60	-2.15	-50.28
O=C(NCCNC(=O)C1=NN(CO)C=C1)C1=CC(=O)[N-]O1	REAL250005045897	0	33	-1.0	-50.50	303.96	-5.98	-56.48
C#CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045898	0	30	-1.0	-47.17	280.18	-1.08	-48.25
CC(=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005045899	0	38	-1.0	-45.78	320.87	0.21	-45.57
CC(C)OC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045900	0	41	-1.0	-50.11	336.89	-0.23	-50.34
COC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045901	0	36	-1.0	-49.75	314.40	-2.08	-51.83
CN1N=CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045902	0	34	-1.0	-54.45	309.05	-3.14	-57.59
O=C(CC1CC1(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045903	0	32	-1.0	-50.11	295.88	-0.67	-50.78
O=C(NCCNC(=O)C1=CC(=O)NC=N1)C1=CC(=O)[N-]O1	REAL250005045904	0	31	-1.0	-55.34	290.44	-3.23	-58.57
CC[C@H](C)[C@H](O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045905	0	38	-1.0	-46.66	316.32	-1.85	-48.51
CC1(C)CC1CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045906	0	41	-1.0	-46.86	346.03	1.12	-45.74
O=C(NCCNC(=O)C(O)C1=CNC=N1)C1=CC(=O)[N-]O1	REAL250005045907	0	33	-1.0	-53.29	303.33	-3.97	-57.26
CCC(C)(C)C(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045908	0	41	-1.0	-46.49	328.71	-1.43	-47.92
CCC(C)(C)C(=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045909	0	39	-1.0	-43.89	324.44	-0.82	-44.71
NC1=CN=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045910	0	32	-1.0	-48.18	295.48	-4.88	-53.06
CC=CC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045911	0	33	-1.0	-47.08	301.64	-0.31	-47.39
CN1N=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045912	0	31	-1.0	-46.29	284.37	-1.62	-47.91
O=C(NCCNC(=O)[C@@H]1CC[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005045913	0	36	-1.0	-48.42	307.54	-3.78	-52.20
CS(=O)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045914	0	31	-1.0	-55.70	298.66	-4.01	-59.71
O=C(NCCNC(=O)[C@@H]1CC=CCC1)C1=CC(=O)[N-]O1	REAL250005045915	0	36	-1.0	-46.30	306.43	0.09	-46.21
COCC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045916	0	33	-1.0	-48.97	299.83	-2.71	-51.68
O=C(CCOC1COC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045917	0	37	-1.0	-47.75	326.23	-3.74	-51.49
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045918	0	34	-1.0	-45.88	309.70	-4.44	-50.32
CC(=O)C(C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045919	0	39	-1.0	-54.71	336.73	-0.43	-55.14
O=C(NCCNC(=O)C1CC2CC2C1)C1=CC(=O)[N-]O1	REAL250005045920	0	36	-1.0	-46.64	307.14	0.26	-46.38
O=C(CC1=CN=CN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045921	0	33	-1.0	-52.13	302.54	-1.37	-53.50
O=C(NCCNC(=O)C1C2CCC(=O)C21)C1=CC(=O)[N-]O1	REAL250005045922	0	35	-1.0	-48.76	303.09	-0.76	-49.52
CS(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045923	0	33	-1.0	-55.95	307.16	-3.76	-59.71
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC1	REAL250005045924	0	37	-1.0	-44.27	319.19	-0.51	-44.78
CN1N=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1F	REAL250005045925	0	32	-1.0	-47.13	300.38	-2.33	-49.46
O=C(C=C(Cl)Cl)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045926	0	26	-1.0	-46.07	274.08	-1.41	-47.48
O=C(NCCNC(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL250005045927	0	30	-2.0	-77.83	282.96	-3.50	-81.33
COC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045928	0	33	-1.0	-48.31	303.67	-5.78	-54.09
CC1CN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045929	0	37	-1.0	-49.02	316.39	-3.43	-52.45
CC1C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045929	1	38	0.0	-69.92	319.75	-0.55	-70.47
CCC(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045930	0	35	-1.0	-45.48	300.00	-4.26	-49.74
CC1CCC(=CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045931	0	39	-1.0	-46.33	328.20	0.87	-45.46
CN(C)C(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045932	0	38	-1.0	-49.24	330.93	-2.08	-51.32
C#CCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045933	0	33	-1.0	-46.67	298.05	-0.50	-47.17
N#CC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045934	0	36	-1.0	-56.05	317.71	-0.33	-56.38
C=CC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045935	0	30	-1.0	-47.36	276.90	-3.95	-51.31
[N-]=[N+]=NCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045936	0	33	-1.0	-49.82	304.53	-4.94	-54.76
CC(O)C(F)(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045937	0	32	-1.0	-46.94	293.49	-3.33	-50.27
CC1(C)COC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045938	0	36	-1.0	-50.13	310.10	-1.48	-51.61
CN1N=NC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045939	0	34	-1.0	-56.80	307.29	-3.06	-59.86
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCCO1	REAL250005045940	0	39	-1.0	-44.93	319.85	-1.22	-46.15
CCC(CC)(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045941	0	41	-1.0	-50.17	331.40	-3.41	-53.58
CC1(CCCC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005045942	0	37	-1.0	-52.25	328.06	-4.94	-57.19
O=C(NCCNC(=O)C12CC1CC2)C1=CC(=O)[N-]O1	REAL250005045943	0	33	-1.0	-46.97	291.87	-0.39	-47.36
CCCC(C)=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045944	0	38	-1.0	-45.72	325.55	0.49	-45.23
C=C[C@H](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045945	0	35	-1.0	-46.44	303.91	-0.48	-46.92
O=C(C=CC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045946	0	33	-1.0	-46.87	298.45	-0.17	-47.04
O=C(NCCNC(=O)C12CCC(CC1)O2)C1=CC(=O)[N-]O1	REAL250005045947	0	37	-1.0	-46.57	312.30	-1.85	-48.42
O=C(C=CC1CCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045948	0	37	-1.0	-48.86	323.05	-1.49	-50.35
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005045949	0	31	-1.0	-47.08	285.24	-1.82	-48.90
CC(C)CC(=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045950	0	36	-1.0	-44.35	314.19	-1.04	-45.39
CCC(NC(N)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045951	0	37	-1.0	-48.90	317.71	-6.22	-55.12
CC1CC1(C#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045952	0	33	-1.0	-46.50	298.61	-0.65	-47.15
CCC(C#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045953	0	32	-1.0	-48.58	292.51	-1.42	-50.00
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(CO)=C1	REAL250005045954	0	33	-1.0	-52.69	304.99	-4.59	-57.28
O=C(NCCNC(=O)[C@@H]1CNC(=O)O1)C1=CC(=O)[N-]O1	REAL250005045955	0	31	-1.0	-59.47	285.32	-5.30	-64.77
O=C(NCCNC(=O)C12CCC(CO1)C2)C1=CC(=O)[N-]O1	REAL250005045956	0	37	-1.0	-46.04	312.88	-1.80	-47.84
O=C(NCCNC(=O)C1C2CCC21)C1=CC(=O)[N-]O1	REAL250005045957	0	33	-1.0	-46.86	286.11	-0.26	-47.12
C=C1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045958	0	33	-1.0	-46.12	292.46	-0.61	-46.73
C[C@H]1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005045959	0	35	-1.0	-45.83	293.59	-0.42	-46.25
CC1=NN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005045960	0	33	-1.0	-55.47	305.21	-3.34	-58.81
CC[N@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045961	0	37	0.0	-69.50	306.22	-0.98	-70.48
CC[N@@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045961	1	37	0.0	-69.49	306.21	-0.98	-70.47
CCN(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045961	1	36	-1.0	-47.38	304.37	-3.24	-50.62
CC1(C)CC1(C#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045962	0	36	-1.0	-46.16	317.89	-0.21	-46.37
O=C(NCCNC(=O)C1CC2(C1)N=N2)C1=CC(=O)[N-]O1	REAL250005045963	0	32	-1.0	-47.36	292.53	-6.10	-53.46
CC1=NSC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005045964	0	31	-1.0	-46.74	297.22	-1.83	-48.57
CC1(C)C(=O)CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045965	0	37	-1.0	-47.80	320.79	-1.03	-48.83
CCCCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045966	0	43	-1.0	-46.86	360.39	1.53	-45.33
NC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005045967	0	33	-1.0	-49.03	298.25	-3.10	-52.13
COC(=O)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045968	0	37	-1.0	-54.77	329.86	-0.78	-55.55
NC1=NNC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045969	0	31	-1.0	-51.52	282.32	-4.56	-56.08
CC(NC(N)=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045970	0	34	-1.0	-49.63	304.06	-6.61	-56.24
CCOC(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045971	0	34	-1.0	-54.49	306.71	-0.46	-54.95
NC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL250005045972	0	33	-1.0	-48.80	298.64	-3.06	-51.86
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1C=CN=C1	REAL250005045973	0	35	-1.0	-53.05	311.02	-0.22	-53.27
O=C(NCCNC(=O)C1=CC=CNC1=O)C1=CC(=O)[N-]O1	REAL250005045974	0	32	-1.0	-56.12	290.47	-2.83	-58.95
O=C(NCCNC(=O)C1CCC(=O)CC1)C1=CC(=O)[N-]O1	REAL250005045975	0	37	-1.0	-51.41	316.65	-0.69	-52.10
NC1=CC=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045976	0	33	-1.0	-47.22	295.28	-3.53	-50.75
O=C(CSC(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045977	0	29	-1.0	-48.37	289.11	-1.53	-49.90
CC1=NOC(N)=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045978	0	33	-1.0	-48.46	304.59	-5.07	-53.53
CC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045979	0	41	-1.0	-46.52	328.38	0.66	-45.86
O=C(NCCNC(=O)C1=CC=CC=[N+]1[O-])C1=CC(=O)[N-]O1	REAL250005045980	0	32	-1.0	-72.92	292.63	0.12	-72.80
CC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL250005045981	0	31	-1.0	-47.58	297.48	-2.34	-49.92
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL250005045982	0	29	-2.0	-84.48	278.74	-5.66	-90.14
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005045983	0	33	-1.0	-52.19	297.44	-1.62	-53.81
COCC(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045984	0	36	-1.0	-46.04	315.49	-5.55	-51.59
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045985	0	36	-1.0	-46.35	307.96	0.21	-46.14
N#CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045986	0	32	-1.0	-55.37	295.25	-1.07	-56.44
N#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045987	0	30	-1.0	-47.11	282.68	-1.34	-48.45
C=C1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045988	0	33	-1.0	-46.49	293.15	-0.56	-47.05
CN(C)C(=O)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045989	0	36	-1.0	-49.37	321.10	-2.32	-51.69
O=C(NCCNC(=O)[C@]12C[C@H]1[C@H](O)C2)C1=CC(=O)[N-]O1	REAL250005045990	0	34	-1.0	-50.91	303.26	-3.79	-54.70
CCCOCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045991	0	41	-1.0	-49.48	351.42	-0.75	-50.23
N#C[C@@]1(O)C[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045992	0	34	-1.0	-49.74	310.92	-4.20	-53.94
CC1=CC=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005045993	0	33	-1.0	-52.00	302.80	-1.96	-53.96
O=C(CCCCCF)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045994	0	37	-1.0	-49.07	323.98	0.11	-48.96
O=C(NCCNC(=O)C1CC2(CC2F)C1)C1=CC(=O)[N-]O1	REAL250005045995	0	36	-1.0	-46.86	318.78	0.39	-46.47
O=C(NCCNC(=O)C12CC(C1)CO2)C1=CC(=O)[N-]O1	REAL250005045996	0	34	-1.0	-46.19	296.50	-2.37	-48.56
CC12CC(C(=O)NCCNC(=O)C3=CC(=O)[N-]O3)(C1)OC2	REAL250005045997	0	37	-1.0	-45.81	318.49	-1.87	-47.68
CC(=O)CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045998	0	39	-1.0	-46.38	326.75	-0.53	-46.91
C#CC1(O)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045999	0	35	-1.0	-49.27	317.35	-3.39	-52.66
CC1=C(C)NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046000	0	36	-1.0	-48.93	316.84	-1.09	-50.02
O=C(NCCNC(=O)C1CC2CCCC21)C1=CC(=O)[N-]O1	REAL250005046001	0	39	-1.0	-46.40	317.45	0.66	-45.74
CC1(C)CC(C)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046002	0	41	-1.0	-46.51	334.46	0.39	-46.12
CC1CCSC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046003	0	36	-1.0	-46.30	311.17	0.07	-46.23
CC(C)(F)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046004	0	37	-1.0	-47.03	318.43	-0.27	-47.30
CC[C@H](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005046005	0	43	-1.0	-46.27	341.10	0.62	-45.65
CCC=CC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046006	0	36	-1.0	-46.95	322.73	0.45	-46.50
CNC(=O)N[C@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046007	0	37	-1.0	-49.93	325.99	-5.16	-55.09
CC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005046008	0	39	-1.0	-49.59	324.06	-0.61	-50.20
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N(C)C=N1	REAL250005046009	0	35	-1.0	-50.19	315.04	-0.43	-50.62
O=C(CC1=NN=CS1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046010	0	30	-1.0	-53.84	292.14	-3.33	-57.17
CC(=C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046011	0	36	-1.0	-44.37	315.18	0.44	-43.93
CC(CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046012	0	43	0.0	-70.25	345.77	0.09	-70.16
CN(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(N)=O	REAL250005046013	0	34	-1.0	-55.19	302.96	-4.86	-60.05
O=C(NCCNC(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL250005046014	0	28	-2.0	-84.72	273.33	-6.95	-91.67
O=C(NCCNC(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005046015	0	29	-1.0	-44.99	269.61	-1.54	-46.53
NC1=NC=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046016	0	32	-1.0	-47.21	288.56	-2.92	-50.13
CC[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046017	0	41	0.0	-66.22	337.08	0.39	-65.83
CC[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046017	1	41	0.0	-67.04	334.86	0.38	-66.66
CCN(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046017	1	40	-1.0	-46.97	331.37	-1.80	-48.77
CC(O)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046018	0	36	-1.0	-45.75	308.68	-3.63	-49.38
CC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046019	0	31	-1.0	-47.57	289.29	-4.60	-52.17
O=C(NCCNC(=O)C1=C(Cl)C=NN1)C1=CC(=O)[N-]O1	REAL250005046020	0	29	-1.0	-47.95	285.12	-3.06	-51.01
O=C(NCCNC(=O)C1=NNC=C1Cl)C1=CC(=O)[N-]O1	REAL250005046020	1	29	-1.0	-50.07	286.20	-3.08	-53.15
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=CS1	REAL250005046021	0	31	-1.0	-47.26	292.58	-2.25	-49.51
O=C(NCCNC(=O)C1=CC=CC(F)=N1)C1=CC(=O)[N-]O1	REAL250005046022	0	31	-1.0	-47.86	291.92	-1.82	-49.68
COC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046023	0	35	-1.0	-50.05	297.35	-1.81	-51.86
CC(CC#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046024	0	32	-1.0	-48.32	291.62	-1.32	-49.64
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1C=NN=N1	REAL250005046025	0	33	-1.0	-56.78	300.34	-2.41	-59.19
O=NN1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046026	0	35	-1.0	-53.68	311.56	-3.07	-56.75
CCC1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046027	0	35	-1.0	-46.36	300.73	-0.15	-46.51
O=C(CC1CCC(O)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046028	0	39	-1.0	-47.75	327.65	-3.05	-50.80
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)O	REAL250005046029	0	38	-1.0	-49.17	317.91	-2.71	-51.88
C[N@@H+]1CC2CC1(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005046030	0	39	0.0	-70.98	320.53	-0.44	-71.42
C[N@H+]1CC2CC1(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005046030	1	39	0.0	-71.14	318.52	-0.25	-71.39
CN1CC2CC1(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005046030	1	38	-1.0	-45.55	318.50	-3.15	-48.70
O=C(NCCNC(=O)C1COC(=O)O1)C1=CC(=O)[N-]O1	REAL250005046031	0	30	-1.0	-58.26	281.49	-1.95	-60.21
CN1N=NC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046032	0	34	-1.0	-56.80	307.29	-3.06	-59.86
O=C(NCCNC(=O)C12CC(C1)OC2)C1=CC(=O)[N-]O1	REAL250005046033	0	34	-1.0	-47.12	297.27	-2.59	-49.71
CC(O)C1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046034	0	36	-1.0	-48.73	309.37	-1.99	-50.72
C[C@@H]1C[C@@]2(C(=O)NCCNC(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005046035	0	36	-1.0	-47.00	312.85	0.25	-46.75
CC1(C)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CO1	REAL250005046036	0	39	-1.0	-46.79	328.32	-1.64	-48.43
O=C(CN1C=NC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046037	0	31	-1.0	-57.11	287.87	-0.51	-57.62
O=C(NCCNC(=O)C1=CC=CC(=O)O1)C1=CC(=O)[N-]O1	REAL250005046038	0	31	-1.0	-50.15	291.55	-0.86	-51.01
CC(C[NH+](C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046039	0	40	0.0	-71.20	326.89	-0.36	-71.56
CNC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046040	0	33	-1.0	-48.09	304.76	-5.81	-53.90
CN1C=C(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005046041	0	34	-1.0	-59.47	308.94	-2.83	-62.30
C=CC(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046042	0	33	-1.0	-45.81	293.56	-4.19	-50.00
O=C(CCC1(O)CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046043	0	39	-1.0	-48.80	330.43	-2.71	-51.51
CCC(C)(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046044	0	38	-1.0	-50.17	315.47	-3.89	-54.06
C[NH+](C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046045	0	38	0.0	-71.81	312.26	-0.62	-72.43
CN(C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046045	1	37	-1.0	-46.02	313.18	-3.34	-49.36
CN1NC(=O)C=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046046	0	33	-1.0	-50.80	300.71	-4.27	-55.07
CCC1=CNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046047	0	36	-1.0	-49.29	318.77	-0.81	-50.10
CCCC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046048	0	35	-1.0	-46.75	309.06	-0.21	-46.96
CC=C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046049	0	29	-1.0	-44.76	271.44	-1.68	-46.44
N#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCOC1	REAL250005046050	0	34	-1.0	-47.46	305.57	-2.94	-50.40
O=C(NCCNC(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL250005046051	0	28	-1.0	-55.95	278.10	-4.54	-60.49
CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005046052	0	40	-1.0	-46.54	329.47	0.21	-46.33
O=C(NCCNC(=O)C1=CN=CC(F)=N1)C1=CC(=O)[N-]O1	REAL250005046053	0	30	-1.0	-45.64	286.72	-3.68	-49.32
N#CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005046054	0	30	-1.0	-51.42	292.42	-1.57	-52.99
C[C@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046055	0	37	0.0	-68.16	306.65	-1.24	-69.40
C[C@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005046055	1	36	-1.0	-47.28	300.25	-3.67	-50.95
CC(C)C(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046056	0	38	-1.0	-46.46	314.82	-3.35	-49.81
CCOC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046057	0	33	-1.0	-46.74	299.54	-2.12	-48.86
CCN1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046058	0	37	-1.0	-49.02	316.48	-3.52	-52.54
CC[N@@H+]1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046058	1	38	0.0	-68.06	312.35	-0.79	-68.85
CC[N@H+]1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046058	1	38	0.0	-68.66	320.12	-0.62	-69.28
CSSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046059	0	30	-1.0	-49.76	297.78	-0.31	-50.07
NC(=O)C(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046060	0	33	-1.0	-54.99	299.96	-6.91	-61.90
CCC(C)=C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046061	0	38	-1.0	-45.98	316.40	0.30	-45.68
COC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046062	0	36	-1.0	-44.97	307.55	-2.14	-47.11
O=C(NCCNC(=O)C1=NNC(=O)CC1)C1=CC(=O)[N-]O1	REAL250005046063	0	33	-1.0	-47.71	299.14	-4.49	-52.20
NC(=O)NCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046064	0	37	-1.0	-52.93	328.13	-6.03	-58.96
C=CCCC(=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046065	0	34	-1.0	-44.58	310.26	-1.07	-45.65
CC(O)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046066	0	38	-1.0	-49.91	327.70	-3.32	-53.23
CC1=NOC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046067	0	34	-1.0	-53.32	309.84	-1.19	-54.51
CC(=O)OCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046068	0	31	-1.0	-50.17	288.97	-1.41	-51.58
NC1=CC=[NH+]C=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046069	0	34	0.0	-70.61	296.60	-3.16	-73.77
NC1=CC=NC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046069	1	33	-1.0	-47.11	293.24	-3.63	-50.74
NC1=CN=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046070	0	33	-1.0	-46.99	293.42	-3.61	-50.60
CC(=O)NCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046071	0	35	-1.0	-56.79	313.41	-4.04	-60.83
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)N1	REAL250005046072	0	30	-1.0	-55.43	279.92	-5.43	-60.86
CCCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046073	0	43	0.0	-67.78	340.39	0.14	-67.64
NC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL250005046074	0	31	-1.0	-49.17	294.99	-3.17	-52.34
CC1=CN=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046075	0	33	-1.0	-47.59	301.94	-3.03	-50.62
C[NH+](C)C(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046076	0	40	0.0	-71.34	315.95	-0.45	-71.79
O=C(NCCNC(=O)C(F)(F)CO)C1=CC(=O)[N-]O1	REAL250005046077	0	29	-1.0	-47.36	274.27	-4.13	-51.49
CC1(C#CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046078	0	34	-1.0	-47.65	312.91	0.34	-47.31
C=CC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046079	0	39	-1.0	-46.27	324.61	0.57	-45.70
CC(=O)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046080	0	31	-1.0	-47.94	289.72	-1.87	-49.81
O=C(COC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046081	0	33	-1.0	-51.01	297.84	-1.25	-52.26
NC1=NN=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL250005046082	0	29	-1.0	-48.86	286.63	-5.04	-53.90
O=C(NCCNC(=O)C1=NC=CN1)C1=CC(=O)[N-]O1	REAL250005046083	0	29	-1.0	-48.26	271.35	-3.32	-51.58
O=C(C=CC1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046084	0	36	-1.0	-46.71	314.88	0.36	-46.35
CC(CC[NH+](C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046085	0	43	0.0	-71.50	348.52	0.27	-71.23
O=C(C#CC1CC(=O)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046086	0	33	-1.0	-50.41	311.26	-0.56	-50.97
O=C(NCCNC(=O)C1CC(C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005046087	0	39	-1.0	-46.86	332.85	1.12	-45.74
CC(C)[C@H](NC=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046088	0	38	-1.0	-47.90	321.58	-3.06	-50.96
CSC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046089	0	35	-1.0	-49.28	308.26	-0.78	-50.06
O=C(NCCNC(=O)C1=NN=CS1)C1=CC(=O)[N-]O1	REAL250005046090	0	27	-1.0	-47.88	271.47	-4.01	-51.89
O=C(NCCNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1=CC(=O)[N-]O1	REAL250005046091	0	37	-1.0	-46.53	314.86	-1.54	-48.07
N#CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005046092	0	29	-1.0	-45.55	288.25	-2.24	-47.79
O=C(NCCNC(=O)C1CC(=O)CO1)C1=CC(=O)[N-]O1	REAL250005046093	0	32	-1.0	-51.43	291.99	-2.75	-54.18
CC(C)NC(=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046094	0	35	-1.0	-45.69	312.29	-3.87	-49.56
C=C(Cl)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046095	0	32	-1.0	-46.68	304.23	-0.50	-47.18
CCC(CCOC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046096	0	41	-1.0	-48.25	345.24	-1.45	-49.70
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005046097	0	34	-1.0	-46.68	296.50	-1.70	-48.38
C=CN1N=CC=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046098	0	33	-1.0	-49.25	301.07	-1.28	-50.53
CN1C=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046099	0	32	-1.0	-48.35	289.61	-1.59	-49.94
CC(=O)OCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046100	0	37	-1.0	-51.23	331.43	-0.62	-51.85
O=C(NCCNC(=O)C1CC(=O)CS1)C1=CC(=O)[N-]O1	REAL250005046101	0	32	-1.0	-48.55	300.47	-1.63	-50.18
CO[C@@H]1C[C@@]2(C(=O)NCCNC(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005046102	0	37	-1.0	-49.85	325.28	-1.41	-51.26
CN1C=NN=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046103	0	34	-1.0	-58.50	307.52	-0.52	-59.02
CCC1=NON=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046104	0	33	-1.0	-43.87	303.15	-2.08	-45.95
O=C(CC1=NSN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046105	0	30	-1.0	-53.25	289.62	-3.37	-56.62
C=CCC(C)(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046106	0	41	-1.0	-46.02	335.25	0.62	-45.40
CCC(C)CC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046107	0	43	-1.0	-46.44	347.45	0.88	-45.56
O=C(NCCNC(=O)C(F)N1C=CC=N1)C1=CC(=O)[N-]O1	REAL250005046108	0	32	-1.0	-56.06	299.65	-2.02	-58.08
CC(C)CCOCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046109	0	41	-1.0	-49.89	348.04	0.06	-49.83
CC(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046110	0	32	-1.0	-46.84	283.03	-4.97	-51.81
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CON=C1	REAL250005046111	0	28	-1.0	-47.75	266.62	-2.63	-50.38
NC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL250005046112	0	30	-1.0	-47.39	291.51	-3.95	-51.34
O=C(CCCCO)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046113	0	35	-1.0	-48.36	307.32	-4.14	-52.50
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005046114	0	31	-1.0	-44.91	286.24	-1.64	-46.55
O=C(NCCNC(=O)[C@@H]1COC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046115	0	31	-1.0	-56.85	285.32	-5.78	-62.63
O=C(NCCNC(=O)C1=CN=CC(O)=C1)C1=CC(=O)[N-]O1	REAL250005046116	0	32	-1.0	-49.14	294.31	-4.69	-53.83
O=C(NCCNC(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL250005046116	1	31	-2.0	-90.79	290.75	-3.93	-94.72
O=C(CC1(O)CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046117	0	33	-1.0	-50.82	294.48	-4.31	-55.13
O=C(NCCNC(=O)C1CCC1F)C1=CC(=O)[N-]O1	REAL250005046118	0	32	-1.0	-50.58	283.66	-0.99	-51.57
N#CCCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046119	0	38	-1.0	-54.18	338.25	0.49	-53.69
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)SN=C1	REAL250005046120	0	31	-1.0	-46.35	293.33	-1.75	-48.10
O=C(NCCNC(=O)C(F)C1CCC1)C1=CC(=O)[N-]O1	REAL250005046121	0	35	-1.0	-47.26	303.53	-0.31	-47.57
CC(OC(F)F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046122	0	32	-1.0	-49.10	294.62	-2.01	-51.11
CC1(C)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046123	0	36	-1.0	-50.92	313.37	-1.45	-52.37
CC(C)(CCC#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046124	0	38	-1.0	-53.66	326.41	-0.12	-53.78
C#CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046125	0	31	-1.0	-48.03	300.30	-0.74	-48.77
O=C(C=CC1=CNC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046126	0	33	-1.0	-52.04	304.66	-1.12	-53.16
O=C(C=CC1=NC=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046127	0	33	-1.0	-50.09	305.23	-1.91	-52.00
CCC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005046128	0	39	-1.0	-47.25	319.72	-2.08	-49.33
O=C(C=CC1=CNN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046129	0	33	-1.0	-50.73	303.57	-2.33	-53.06
O=C(NCCNC(=O)[C@@H]1C[C@H]1CF)C1=CC(=O)[N-]O1	REAL250005046130	0	32	-1.0	-48.90	291.44	-0.78	-49.68
O=C(CC1=CN=NS1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046131	0	30	-1.0	-52.90	291.67	-2.72	-55.62
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(F)=C1CCC1	REAL250005046132	0	33	-1.0	-45.16	297.69	-0.28	-45.44
CCC(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046133	0	35	-1.0	-46.99	304.10	-4.42	-51.41
CC(C)(O)C(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046134	0	35	-1.0	-49.66	306.36	-3.52	-53.18
O=C(CC(O)C1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046135	0	36	-1.0	-50.17	315.86	-2.48	-52.65
CC(C)CC(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046136	0	37	-1.0	-47.12	319.37	-0.27	-47.39
CC1(C#CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005046137	0	35	-1.0	-47.53	319.77	-1.90	-49.43
CC(=CC1CC1)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046138	0	36	-1.0	-46.90	312.13	0.45	-46.45
N#C[C@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046139	0	30	-1.0	-57.31	280.38	-1.29	-58.60
O=C(C=CC1=COC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046140	0	32	-1.0	-50.29	300.74	-4.05	-54.34
O=C(CC1(CO)CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046141	0	39	-1.0	-46.48	326.25	-3.19	-49.67
O=C(CC1=CN=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046142	0	31	-1.0	-53.19	288.33	-4.52	-57.71
O=C(C[C@@H]1CC=CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046143	0	39	-1.0	-47.32	324.81	0.81	-46.51
O=C(C[NH+]1CC2CC2C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046144	0	39	0.0	-69.80	323.82	0.24	-69.56
O=C(CN1CC2CC2C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046144	1	38	-1.0	-48.26	322.15	-2.18	-50.44
O=C(CC1CC2CC2C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046145	0	39	-1.0	-47.20	326.44	1.02	-46.18
O=C(NCCNC(=O)C1=NOC(CF)=C1)C1=CC(=O)[N-]O1	REAL250005046146	0	31	-1.0	-48.15	295.51	-1.83	-49.98
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COCC1	REAL250005046147	0	31	-1.0	-47.39	279.60	-2.52	-49.91
CC(C)(O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046148	0	38	-1.0	-46.97	322.78	-3.59	-50.56
CC(C)(C)C(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046149	0	41	-1.0	-46.08	326.76	-2.93	-49.01
CCC(C#N)(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046150	0	38	-1.0	-47.09	323.43	-0.60	-47.69
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005046151	0	33	-1.0	-48.72	297.32	-1.69	-50.41
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046152	0	41	0.0	-67.47	321.12	-0.22	-67.69
C[N@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046152	1	41	0.0	-67.54	321.14	-0.21	-67.75
CN1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046152	1	40	-1.0	-46.92	327.48	-2.27	-49.19
O=C(NCCNC(=O)C1(O)CCCCC1)C1=CC(=O)[N-]O1	REAL250005046153	0	39	-1.0	-47.11	321.18	-2.71	-49.82
O=C(NCCNC(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005046154	0	30	-1.0	-46.53	271.73	-4.66	-51.19
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005046155	0	30	-1.0	-47.57	273.90	-1.01	-48.58
CC1CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005046156	0	33	-1.0	-45.84	298.02	-2.75	-48.59
O=C(NCCNC(=O)[C@@H]1CCCC[C@H]1O)C1=CC(=O)[N-]O1	REAL250005046157	0	39	-1.0	-48.53	323.74	-2.03	-50.56
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=CCCC1	REAL250005046158	0	39	-1.0	-46.29	321.43	0.55	-45.74
O=C(CC1CC2(CC2)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046159	0	39	-1.0	-47.51	333.18	1.09	-46.42
CC1=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CN1C	REAL250005046160	0	36	-1.0	-52.29	317.26	0.01	-52.28
CN1C(=O)OCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046161	0	34	-1.0	-56.64	305.06	-3.11	-59.75
CCSC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046162	0	36	-1.0	-45.18	327.96	0.19	-44.99
CC(CF)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046163	0	31	-1.0	-45.79	278.24	-1.56	-47.35
CC(Cl)=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046164	0	29	-1.0	-48.32	278.45	-1.24	-49.56
CN1C(=O)NCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046165	0	35	-1.0	-56.74	310.25	-4.59	-61.33
CCC(F)(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046166	0	31	-1.0	-44.05	284.66	-1.45	-45.50
O=C(NCCNC(=O)C1CCCCC1F)C1=CC(=O)[N-]O1	REAL250005046167	0	38	-1.0	-48.59	319.29	0.28	-48.31
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005046168	0	32	-1.0	-46.03	287.37	-0.90	-46.93
O=C(NCCNC(=O)[C@@H]1CCC(=O)O1)C1=CC(=O)[N-]O1	REAL250005046169	0	32	-1.0	-58.35	291.27	-1.07	-59.42
O=C(C[C@@H]1COC[C@H]1O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046170	0	37	-1.0	-52.64	318.28	-5.67	-58.31
O=C(NCCNC(=O)C1C2CCOCC21)C1=CC(=O)[N-]O1	REAL250005046171	0	37	-1.0	-48.63	307.08	-0.05	-48.68
O=C(C=CCF)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046172	0	29	-1.0	-49.00	272.66	-1.63	-50.63
O=C(NCCNC(=O)C(F)CC1CC1)C1=CC(=O)[N-]O1	REAL250005046173	0	35	-1.0	-47.20	312.25	-0.01	-47.21
CCC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046174	0	41	-1.0	-46.18	338.38	1.06	-45.12
CC(C)CCC(=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046175	0	39	-1.0	-44.34	336.52	-0.34	-44.68
C[N@@H+]1CCC(=CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046176	0	39	0.0	-73.92	326.38	-0.08	-74.00
C[N@H+]1CCC(=CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046176	1	39	0.0	-73.74	327.33	-0.10	-73.84
CC1=C(C)NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046177	0	35	-1.0	-48.10	312.99	-2.21	-50.31
CCOC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046178	0	39	-1.0	-44.94	330.47	-1.39	-46.33
O=C(NCCNC(=O)[C@H]1COC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046179	0	31	-1.0	-56.84	285.31	-5.79	-62.63
N#CCCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046180	0	35	-1.0	-51.35	316.75	-0.29	-51.64
O=C(NCCNC(=O)C1(CO)CC1)C1=CC(=O)[N-]O1	REAL250005046181	0	33	-1.0	-50.31	295.85	-4.42	-54.73
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=NO1	REAL250005046182	0	28	-1.0	-46.33	267.00	-2.63	-48.96
O=C(NCCNC(=O)C1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046184	0	33	-1.0	-55.14	295.20	-4.47	-59.61
O=C(NCCNC(=O)C1=CCCSC1)C1=CC(=O)[N-]O1	REAL250005046185	0	34	-1.0	-47.13	303.91	-0.05	-47.18
O=C(NCCNC(=O)C1(O)CCOCC1)C1=CC(=O)[N-]O1	REAL250005046186	0	37	-1.0	-48.49	312.50	-5.15	-53.64
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=C(F)O1	REAL250005046187	0	29	-1.0	-45.03	278.94	-1.93	-46.96
CON=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046188	0	29	-1.0	-49.66	275.36	-3.78	-53.44
C#CCC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046189	0	36	-1.0	-46.43	314.79	-0.05	-46.48
CC(C)(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N=[N+]=[N-]	REAL250005046190	0	36	-1.0	-44.95	313.65	-4.39	-49.34
CC1(F)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046191	0	35	-1.0	-46.00	307.07	-0.40	-46.40
CN1N=CC(N)=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046192	0	34	-1.0	-48.24	308.91	-4.52	-52.76
CCC(C)(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046193	0	38	-1.0	-49.88	315.88	-1.15	-51.03
CC(C)[C@H](O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046194	0	35	-1.0	-46.74	298.66	-2.49	-49.23
CSC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046195	0	36	-1.0	-44.74	319.45	0.03	-44.71
CN(C)C(=O)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046196	0	36	-1.0	-49.37	321.10	-2.32	-51.69
C#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046197	0	31	-1.0	-46.17	289.11	-0.53	-46.70
CCC1CN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046198	0	40	-1.0	-48.67	338.00	-2.62	-51.29
CCC1C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046198	1	41	0.0	-70.66	341.14	0.21	-70.45
O=C(NCCNC(=O)[C@H]1CCC(=O)O1)C1=CC(=O)[N-]O1	REAL250005046199	0	32	-1.0	-55.25	291.22	-1.11	-56.36
CC1=CN(C)C=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046200	0	36	-1.0	-51.60	316.79	0.23	-51.37
C=CC=CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046201	0	33	-1.0	-47.72	301.06	-0.39	-48.11
C#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046202	0	34	-1.0	-46.13	304.94	-0.07	-46.20
C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046203	0	38	0.0	-66.66	314.77	-0.56	-67.22
C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046203	1	38	0.0	-68.67	308.52	-1.09	-69.76
CN1CCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046203	1	37	-1.0	-48.45	313.89	-2.85	-51.30
CCCC=CC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046204	0	39	-1.0	-47.07	338.52	-1.36	-48.43
O=C(NCCNC(=O)C1CC=CCO1)C1=CC(=O)[N-]O1	REAL250005046205	0	34	-1.0	-49.73	298.97	-1.13	-50.86
O=C(C=CC1=NC=CO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046206	0	32	-1.0	-49.34	301.22	-3.88	-53.22
CC(CC1CCC1)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046207	0	41	-1.0	-46.51	336.05	0.92	-45.59
O=C(NCCNC(=O)C1CCC2(C1)N=N2)C1=CC(=O)[N-]O1	REAL250005046208	0	35	-1.0	-47.50	308.82	-5.73	-53.23
CC1(C)C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046209	0	36	-1.0	-46.90	315.70	0.15	-46.75
O=C(CCC1=NNC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046210	0	35	-1.0	-49.82	314.16	-2.20	-52.02
CC1(C)CC(O)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046211	0	39	-1.0	-46.58	325.44	-2.75	-49.33
CC1(C)OC[C@@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046212	0	37	-1.0	-50.00	322.34	-2.03	-52.03
CN(C)C(=O)C#CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046213	0	34	-1.0	-49.52	318.42	-2.26	-51.78
C#C[C@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046214	0	31	-1.0	-49.80	286.29	-0.43	-50.23
CN1N=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL250005046215	0	31	-2.0	-90.90	296.06	-5.45	-96.35
[N-]=[N+]=NC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046216	0	31	-1.0	-44.55	286.63	-4.51	-49.06
N#CCCSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046217	0	33	-1.0	-52.24	318.28	-0.51	-52.75
O=C(C=CC1=NC=CN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046218	0	33	-1.0	-50.09	305.23	-1.91	-52.00
CNC(=O)N[C@@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046219	0	37	-1.0	-49.94	325.99	-5.16	-55.10
CCC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)OC	REAL250005046220	0	38	-1.0	-48.83	321.07	-0.81	-49.64
NC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL250005046221	0	33	-1.0	-49.02	300.51	-3.88	-52.90
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=N1	REAL250005046222	0	28	-1.0	-47.92	275.53	-3.05	-50.97
CC1OC(=O)NC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046223	0	34	-1.0	-56.63	301.68	-4.88	-61.51
O=C(CN1CCOC1=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046224	0	34	-1.0	-58.08	308.15	-2.55	-60.63
CC=C(CC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046225	0	35	-1.0	-46.71	302.25	-0.37	-47.08
CC1=C(F)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005046226	0	32	-1.0	-51.19	299.03	-2.98	-54.17
CC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1F	REAL250005046226	1	32	-1.0	-49.51	297.97	-2.94	-52.45
O=C(CC12CC(C1)C2)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046227	0	36	-1.0	-47.64	306.67	0.33	-47.31
C#CCC(CC#C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046228	0	35	-1.0	-45.75	319.48	0.98	-44.77
CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005046229	0	38	-1.0	-47.00	317.74	-3.16	-50.16
COC(F)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046230	0	29	-1.0	-50.09	271.52	-3.52	-53.61
N#CC(=CC1CC1)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046231	0	34	-1.0	-46.33	315.30	0.03	-46.30
CCC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005046232	0	34	-1.0	-45.89	307.26	-1.18	-47.07
NS(=O)(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046233	0	30	-1.0	-61.23	287.95	-8.15	-69.38
NC1=CC=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046234	0	33	-1.0	-48.34	300.62	-3.88	-52.22
N#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046235	0	33	-1.0	-46.86	298.61	-0.93	-47.79
O=C(C=C1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046236	0	36	-1.0	-46.77	308.32	0.24	-46.53
CC(C)(C#N)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046237	0	35	-1.0	-47.13	305.38	-0.86	-47.99
O=C(CC(=O)NC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046238	0	36	-1.0	-57.94	320.59	-1.61	-59.55
COCC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046239	0	33	-1.0	-48.25	297.05	-5.18	-53.43
CC(C)(CCCO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046240	0	41	-1.0	-47.68	338.48	-3.19	-50.87
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCOC1	REAL250005046241	0	39	-1.0	-47.97	324.27	-1.76	-49.73
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(Cl)=C1	REAL250005046242	0	29	-1.0	-49.20	288.73	-1.46	-50.66
C[NH+](C)[C@H]1C[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046243	0	41	0.0	-70.77	338.04	0.08	-70.69
O=C(CC1(C2CC2)CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046244	0	39	-1.0	-45.79	322.25	1.05	-44.74
O=C(NCCNC(=O)[C@@H]1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005046245	0	29	-1.0	-48.15	276.41	-1.43	-49.58
N#C[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046246	0	30	-1.0	-49.17	284.42	-1.18	-50.35
CCCC(CC)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046247	0	43	-1.0	-46.42	348.88	1.03	-45.39
C=C(C)CCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046248	0	38	-1.0	-47.47	330.32	0.41	-47.06
CC1=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NN1C	REAL250005046249	0	34	-1.0	-54.52	309.11	-1.84	-56.36
O=C(NCCNC(=O)[C@H]1C[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005046250	0	33	-1.0	-50.49	291.04	-4.51	-55.00
CC1(C)CC1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046251	0	38	-1.0	-47.18	323.86	0.33	-46.85
CC(=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005046252	0	41	-1.0	-45.69	336.48	0.60	-45.09
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=C(Cl)CC1	REAL250005046253	0	30	-1.0	-49.42	290.96	-0.51	-49.93
CC1=NN=NN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046254	0	33	-1.0	-59.08	303.79	-2.97	-62.05
O=C(NCCNC(=O)[C@]12C[C@H]1[C@H](F)C2)C1=CC(=O)[N-]O1	REAL250005046255	0	33	-1.0	-49.66	298.48	-0.30	-49.96
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)O1	REAL250005046256	0	29	-1.0	-50.36	277.21	-4.78	-55.14
CC(C)[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046257	0	38	-1.0	-46.69	325.26	0.40	-46.29
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=C(Cl)N1	REAL250005046258	0	29	-1.0	-47.31	287.32	-2.77	-50.08
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC2CCCC12	REAL250005046259	0	37	-1.0	-46.83	318.09	0.76	-46.07
CCN1N=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046260	0	34	-1.0	-46.01	306.18	-0.77	-46.78
O=C(NCCNC(=O)C(F)(F)C1CC1)C1=CC(=O)[N-]O1	REAL250005046261	0	32	-1.0	-44.44	293.76	-0.69	-45.13
CC(=O)OC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046262	0	35	-1.0	-51.89	317.67	-0.75	-52.64
O=C(COCCO)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046263	0	33	-1.0	-53.42	298.85	-5.17	-58.59
CC1(C)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005046264	0	36	-1.0	-45.88	318.66	-2.13	-48.01
O=C(NCCNC(=O)C1=NC=C(F)C=N1)C1=CC(=O)[N-]O1	REAL250005046265	0	30	-1.0	-48.50	287.54	-2.51	-51.01
CC(C)(CF)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046266	0	34	-1.0	-45.49	296.33	-1.04	-46.53
CC(C)[C@@H](O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046267	0	38	-1.0	-50.09	321.74	-2.70	-52.79
CC(C)(CO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046268	0	35	-1.0	-46.61	300.68	-4.33	-50.94
C=CCC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046269	0	35	-1.0	-46.45	305.07	-0.45	-46.90
CC1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL250005046270	0	36	-1.0	-47.41	318.34	-0.01	-47.42
CC1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046271	0	38	-1.0	-46.59	316.68	0.15	-46.44
CC1CCC(C)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046272	0	41	-1.0	-46.52	334.23	0.69	-45.83
O=C(NCCNC(=O)C1C2C3CC1CC32)C1=CC(=O)[N-]O1	REAL250005046273	0	37	-1.0	-47.33	310.48	0.56	-46.77
O=C(NCCNC(=O)[C@@H](O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005046274	0	39	-1.0	-46.82	324.21	-1.61	-48.43
CNC(=O)NC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046275	0	37	-1.0	-49.93	325.99	-5.16	-55.09
CCN1C=NN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046276	0	34	-1.0	-49.80	306.51	-0.07	-49.87
O=C(NCCNC(=O)C1(C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005046277	0	39	-1.0	-47.27	323.02	0.90	-46.37
O=C(NCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C1=CC(=O)[N-]O1	REAL250005046278	0	36	-1.0	-46.95	305.91	0.15	-46.80
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC(F)C1	REAL250005046279	0	35	-1.0	-46.71	304.28	-0.45	-47.16
CCC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005046280	0	36	-1.0	-48.26	318.80	-0.95	-49.21
O=C(C#CC1CCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046281	0	35	-1.0	-49.14	317.06	-1.43	-50.57
C[C@@H]1C[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046282	0	32	-1.0	-46.80	284.79	-0.92	-47.72
CC(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046283	0	32	-1.0	-45.57	283.38	-4.93	-50.50
O=C(C[NH+]1CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046284	0	41	0.0	-69.39	330.59	0.25	-69.14
O=C(CN1CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046284	1	40	-1.0	-47.50	328.31	-1.93	-49.43
C[N@@H+]1CCCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046285	0	41	0.0	-70.56	333.08	-0.01	-70.57
C[N@H+]1CCCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046285	1	41	0.0	-64.08	326.79	0.18	-63.90
CN1C=C[N+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046286	0	36	0.0	-67.67	319.72	1.86	-65.81
CC1=NC=CN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046287	0	33	-1.0	-47.54	296.57	-2.99	-50.53
CSC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046288	0	33	-1.0	-45.33	307.53	-0.50	-45.83
O=C(NCCNC(=O)C1=NOCC1)C1=CC(=O)[N-]O1	REAL250005046289	0	30	-1.0	-46.07	276.94	-3.51	-49.58
O=C(COC1=NOC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046290	0	32	-1.0	-52.10	299.72	-3.37	-55.47
CC1=COC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1C	REAL250005046291	0	35	-1.0	-47.16	311.79	-0.69	-47.85
O=C(CC1=CN=CC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046292	0	33	-1.0	-52.97	301.14	-2.88	-55.85
CC(C#N)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046293	0	32	-1.0	-48.20	290.44	-1.33	-49.53
NC1=CC=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046294	0	33	-1.0	-48.34	300.62	-3.88	-52.22
CCC1OCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046295	0	39	-1.0	-48.63	324.44	-1.49	-50.12
C[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046296	0	38	0.0	-66.89	317.75	-0.24	-67.13
C[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046296	1	38	0.0	-67.44	317.89	-0.23	-67.67
CN(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046296	1	37	-1.0	-47.57	311.78	-2.63	-50.20
CN1C=CC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046297	0	36	-1.0	-51.19	317.63	-0.01	-51.20
O=C(CCOC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046298	0	36	-1.0	-46.88	318.79	-1.54	-48.42
O=C(CCCCCO)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046299	0	38	-1.0	-50.07	328.82	-3.36	-53.43
COC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046300	0	35	-1.0	-53.03	318.67	-0.94	-53.97
CC1=CON=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046301	0	34	-1.0	-52.32	308.74	-1.48	-53.80
C#CC1=CC=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046302	0	34	-1.0	-50.36	315.54	1.14	-49.22
CCC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046303	0	33	-1.0	-47.52	305.32	-3.98	-51.50
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL250005046304	0	43	0.0	-72.10	345.67	0.36	-71.74
NC1=CN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL250005046305	0	34	-1.0	-54.56	308.75	-4.09	-58.65
CC(CCO)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046306	0	35	-1.0	-50.27	301.99	-4.40	-54.67
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C(F)=CC1CC1	REAL250005046307	0	33	-1.0	-44.63	302.99	-0.13	-44.76
O=C(CC1CC(F)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046308	0	35	-1.0	-47.53	307.45	-0.21	-47.74
O=C(NCCNC(=O)C(F)CC1CCC1)C1=CC(=O)[N-]O1	REAL250005046309	0	38	-1.0	-47.11	328.77	0.51	-46.60
O=C(NCCNC(=O)[C@H](O)CF)C1=CC(=O)[N-]O1	REAL250005046310	0	29	-1.0	-48.69	270.00	-4.33	-53.02
CCC1(C)C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046311	0	39	-1.0	-46.83	332.90	0.76	-46.07
CCC1(C)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046312	0	41	-1.0	-46.48	337.13	0.65	-45.83
CCN1C=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046313	0	34	-1.0	-53.88	310.18	-0.77	-54.65
CCCC(C)(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046314	0	41	-1.0	-46.31	335.97	-1.47	-47.78
O=C(NCCNC(=O)C1(CCO)CC1)C1=CC(=O)[N-]O1	REAL250005046315	0	36	-1.0	-47.52	317.29	-3.75	-51.27
CC(C)C(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046316	0	38	-1.0	-45.28	314.94	-3.49	-48.77
COC(=O)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046317	0	35	-1.0	-46.70	313.24	-0.69	-47.39
COC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005046318	0	39	-1.0	-49.17	317.94	-0.51	-49.68
N#CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046319	0	30	-1.0	-46.91	293.83	-1.49	-48.40
O=C(CC1=CC=CC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046320	0	34	-1.0	-52.29	306.36	-1.00	-53.29
O=C(NCCNC(=O)C1(O)CCC1)C1=CC(=O)[N-]O1	REAL250005046321	0	33	-1.0	-46.88	287.73	-4.12	-51.00
O=C(NCCNC(=O)C(O)C1CC1)C1=CC(=O)[N-]O1	REAL250005046322	0	33	-1.0	-46.88	292.00	-2.70	-49.58
NC(=O)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046323	0	36	-1.0	-46.84	315.76	-4.62	-51.46
O=C(CN1C=NN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046324	0	31	-1.0	-58.73	288.39	0.40	-58.33
C=C(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046325	0	32	-1.0	-47.03	287.42	-1.16	-48.19
CC(C)(C#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046326	0	32	-1.0	-52.89	290.73	-1.56	-54.45
CC1=CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046327	0	39	-1.0	-46.14	327.29	0.73	-45.41
CCSCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046328	0	32	-1.0	-49.26	297.43	-1.04	-50.30
CC(=O)OCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046329	0	34	-1.0	-52.70	309.93	-1.38	-54.08
CC(C)=C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046330	0	35	-1.0	-46.97	303.71	-0.64	-47.61
O=C(NCCNC(=O)C(F)(F)C(F)F)C1=CC(=O)[N-]O1	REAL250005046331	0	28	-1.0	-44.49	277.39	-1.90	-46.39
CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=NS1	REAL250005046332	0	31	-1.0	-46.68	291.53	-1.61	-48.29
O=C(NCCNC(=O)C1=CC=NC=C1O)C1=CC(=O)[N-]O1	REAL250005046333	0	32	-1.0	-49.71	292.41	-3.31	-53.02
O=C(NCCNC(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL250005046333	1	31	-2.0	-96.46	288.85	-2.32	-98.78
CC1(CCC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005046334	0	34	-1.0	-45.79	306.56	-5.73	-51.52
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL250005046335	0	28	-2.0	-88.60	273.48	-5.18	-93.78
O=C(COC1COC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046336	0	34	-1.0	-51.52	305.28	-3.46	-54.98
C[C@@H]1C[C@]2(C(=O)NCCNC(=O)C3=CC(=O)[N-]O3)C[C@H]12	REAL250005046337	0	36	-1.0	-46.71	311.54	0.21	-46.50
CNC(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046338	0	32	-1.0	-58.46	288.99	-3.31	-61.77
CC(OC1COC1)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046339	0	37	-1.0	-51.08	325.57	-2.73	-53.81
CC(=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(F)F	REAL250005046340	0	32	-1.0	-48.81	295.19	-0.80	-49.61
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL250005046341	0	39	-1.0	-46.41	329.34	0.80	-45.61
CCOC(=O)C=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046342	0	35	-1.0	-47.62	322.62	-0.85	-48.47
CN1C=NN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046343	0	31	-1.0	-49.99	284.76	-0.96	-50.95
NC1=NN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005046344	0	33	-1.0	-58.59	303.32	-0.95	-59.54
O=C(NCCNC(=O)C1=CCCOCC1)C1=CC(=O)[N-]O1	REAL250005046345	0	37	-1.0	-47.31	311.16	-1.56	-48.87
C[C@@H]1OCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046346	0	36	-1.0	-48.87	303.49	-2.29	-51.16
O=C(NCCNC(=O)C1CC(F)C1)C1=CC(=O)[N-]O1	REAL250005046347	0	32	-1.0	-49.33	286.28	-0.99	-50.32
CCC(O)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046348	0	38	-1.0	-49.73	320.49	-2.46	-52.19
CCC(C)(C)OCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046349	0	41	-1.0	-49.75	338.59	-0.26	-50.01
O=C(CC1CC(=O)N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046350	0	33	-1.0	-53.18	298.25	-5.04	-58.22
O=C(NCCNC(=O)C(O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005046351	0	36	-1.0	-46.92	307.24	-2.11	-49.03
O=C(NCCNC(=O)C1CCOC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046352	0	34	-1.0	-56.70	303.56	-4.65	-61.35
C[NH+]1CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046353	0	38	0.0	-71.07	319.93	-0.82	-71.89
CC1=NN=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL250005046354	0	30	-1.0	-47.79	293.43	-3.30	-51.09
CC1(O)CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046355	0	36	-1.0	-50.12	310.55	-3.91	-54.03
CCCCCC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046356	0	41	-1.0	-47.11	348.68	-1.32	-48.43
NC1=CC=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046357	0	33	-1.0	-48.05	300.66	-3.02	-51.07
O=C(NCCNC(=O)C1=CC=C(O)C=C1)C1=CC(=O)[N-]O1	REAL250005046358	0	33	-1.0	-48.86	299.26	-2.89	-51.75
C[NH+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046359	0	34	0.0	-70.26	288.49	-1.64	-71.90
CN(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046359	1	33	-1.0	-47.50	286.40	-4.03	-51.53
NC1=CC=CC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046360	0	34	-1.0	-48.52	303.37	-2.19	-50.71
NC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005046361	0	34	-1.0	-49.01	303.25	-2.19	-51.20
O=C(NCCNC(=O)C1=CC=CN=C1F)C1=CC(=O)[N-]O1	REAL250005046362	0	31	-1.0	-54.25	287.85	-1.86	-56.11
CCOC1C(C)C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046363	0	39	-1.0	-50.33	339.60	-0.96	-51.29
O=C(NCCNC(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005046364	0	29	-1.0	-50.54	269.62	-1.53	-52.07
CC1(OCC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046365	0	39	-1.0	-49.98	330.09	-0.24	-50.22
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046366	0	37	0.0	-68.11	306.39	-1.23	-69.34
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005046366	1	36	-1.0	-47.26	300.56	-3.65	-50.91
NC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005046367	0	32	-1.0	-48.88	293.41	-2.68	-51.56
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(F)=NN1	REAL250005046368	0	29	-1.0	-47.25	277.22	-3.76	-51.01
O=C(NCCNC(=O)C1C=CCC1)C1=CC(=O)[N-]O1	REAL250005046369	0	33	-1.0	-46.43	288.46	-0.57	-47.00
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC(=O)C1	REAL250005046370	0	37	-1.0	-47.83	316.93	-0.87	-48.70
O=C(NCCNC(=O)C1CCCC(O)C1)C1=CC(=O)[N-]O1	REAL250005046371	0	39	-1.0	-49.99	325.14	-3.13	-53.12
N#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC(=O)C1	REAL250005046372	0	32	-1.0	-51.03	301.14	-1.83	-52.86
CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005046373	0	36	-1.0	-46.45	305.79	-2.35	-48.80
C#CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046374	0	33	-1.0	-49.08	297.15	-0.68	-49.76
O=C(C=CC1CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046375	0	37	-1.0	-48.97	322.57	-1.67	-50.64
COC(C)C(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046376	0	36	-1.0	-45.96	313.18	-4.10	-50.06
O=C(NCCNC(=O)[C@H]1CNC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046377	0	32	-1.0	-56.51	289.14	-6.93	-63.44
CCSC(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046378	0	35	-1.0	-48.96	315.88	-0.48	-49.44
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL250005046379	0	41	0.0	-67.07	337.68	0.05	-67.02
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL250005046379	1	40	-1.0	-48.08	333.83	-2.77	-50.85
CC1CCN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046380	0	37	-1.0	-48.84	316.72	-3.45	-52.29
CC1CC[N@@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046380	1	38	0.0	-67.63	314.27	-0.83	-68.46
CC1CC[N@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046380	1	38	0.0	-68.60	319.82	-0.57	-69.17
COC(C)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046381	0	39	-1.0	-47.55	323.86	-0.56	-48.11
C[NH+](C)CC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046382	0	38	0.0	-74.39	325.71	-0.39	-74.78
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC(C#N)C1	REAL250005046383	0	36	-1.0	-48.80	313.24	-0.46	-49.26
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CCSC1	REAL250005046384	0	31	-1.0	-46.95	288.52	-0.78	-47.73
O=C(CCCC(F)F)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046385	0	34	-1.0	-49.28	308.56	-0.53	-49.81
CC1(C)CN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046386	0	40	-1.0	-48.18	335.71	-3.20	-51.38
CC1(C)C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046386	1	41	0.0	-69.93	338.90	-0.07	-70.00
CO[C@H](C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046387	0	32	-1.0	-49.82	285.40	-2.29	-52.11
O=C(NCCNC(=O)C12CCC(C1)OC2)C1=CC(=O)[N-]O1	REAL250005046388	0	37	-1.0	-46.97	312.97	-1.98	-48.95
O=C(NCCNC(=O)C1CC12CC(O)C2)C1=CC(=O)[N-]O1	REAL250005046389	0	37	-1.0	-49.01	322.10	-3.05	-52.06
O=C(C=CC1=NNC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046390	0	33	-1.0	-50.03	305.17	-2.18	-52.21
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(F)F	REAL250005046391	0	34	-1.0	-48.38	302.07	-0.78	-49.16
O=C(C[C@@H]1CCC[C@H]1O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046392	0	39	-1.0	-48.61	327.42	-3.06	-51.67
O=C(NCCNC(=O)C1=COC(=O)C=C1)C1=CC(=O)[N-]O1	REAL250005046393	0	31	-1.0	-50.91	289.22	-0.91	-51.82
CCOC(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046394	0	37	-1.0	-47.68	330.22	-0.64	-48.32
CC(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046395	0	33	-1.0	-47.63	297.49	-1.69	-49.32
O=C(CC1(O)CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046396	0	39	-1.0	-46.59	322.20	-2.01	-48.60
O=C(NCCNC(=O)C1CCCC1O)C1=CC(=O)[N-]O1	REAL250005046397	0	36	-1.0	-49.06	304.73	-2.10	-51.16
CC[NH+](CC)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046398	0	40	0.0	-68.05	320.07	-0.56	-68.61
CC1=CC=NC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046399	0	34	-1.0	-47.79	307.00	-1.10	-48.89
CCOC=C(C#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046400	0	34	-1.0	-49.30	318.54	-1.66	-50.96
CC(C)(C#N)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046401	0	38	-1.0	-53.61	328.92	-0.29	-53.90
NC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL250005046402	0	33	-1.0	-49.02	300.51	-3.88	-52.90
O=C(CN1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046403	0	34	-1.0	-48.45	294.27	-4.44	-52.89
O=C(C[NH+]1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046403	1	35	0.0	-70.05	298.58	-1.22	-71.27
CC(C)C(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046404	0	38	-1.0	-50.07	321.74	-2.70	-52.77
O=C(NCCNC(=O)C1=C(Cl)CCC1)C1=CC(=O)[N-]O1	REAL250005046405	0	33	-1.0	-48.08	303.23	0.04	-48.04
O=C(NCCNC(=O)C1COC(=O)C1)C1=CC(=O)[N-]O1	REAL250005046406	0	32	-1.0	-52.33	289.06	-1.96	-54.29
CC1CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046407	0	39	-1.0	-46.44	325.12	0.79	-45.65
CC(O)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046408	0	35	-1.0	-49.79	297.22	-3.26	-53.05
O=C(NCCNC(=O)C1(O)CCOC1)C1=CC(=O)[N-]O1	REAL250005046409	0	34	-1.0	-48.65	295.10	-6.13	-54.78
CCC(C)(C#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046410	0	35	-1.0	-47.55	307.49	-1.07	-48.62
CN1[N-]C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL250005046411	0	32	-2.0	-87.08	301.55	-3.96	-91.04
C=C1CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046412	0	30	-1.0	-46.91	276.99	-1.02	-47.93
O=C(CC1CC=CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046413	0	36	-1.0	-47.46	308.94	0.15	-47.31
CC(=O)OC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046414	0	37	-1.0	-49.27	319.45	-0.24	-49.51
O=C(CC1OCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046415	0	34	-1.0	-49.32	300.03	-2.90	-52.22
COC(OC)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046416	0	33	-1.0	-49.01	291.19	-3.31	-52.32
N#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC=CC1	REAL250005046417	0	34	-1.0	-47.09	307.47	-0.50	-47.59
O=C(CCC[N+](=O)[O-])NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046418	0	33	-1.0	-53.81	303.50	-1.18	-54.99
N#CC1(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046419	0	33	-1.0	-57.09	300.89	-0.74	-57.83
COC(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046420	0	34	-1.0	-47.87	308.36	-1.56	-49.43
CC[NH+](CC)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046421	0	43	0.0	-70.50	346.43	0.27	-70.23
O=C(NCCNC(=O)C1=CCCOC1)C1=CC(=O)[N-]O1	REAL250005046422	0	34	-1.0	-47.61	295.62	-2.23	-49.84
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1(F)F	REAL250005046423	0	32	-1.0	-49.56	292.08	-0.79	-50.35
NC1=NN(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005046424	0	32	-1.0	-55.51	299.54	-3.67	-59.18
CCC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046425	0	34	-1.0	-46.13	310.42	-1.29	-47.42
CC(C)(C)C(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046426	0	38	-1.0	-46.47	313.68	-1.96	-48.43
O=C(NCCNC(=O)C1CCSCC1)C1=CC(=O)[N-]O1	REAL250005046427	0	36	-1.0	-47.43	313.42	-0.06	-47.49
O=C(NCCNC(=O)C(O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005046428	0	39	-1.0	-46.84	324.21	-1.61	-48.45
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005046429	0	33	-1.0	-47.01	288.59	-3.27	-50.28
O=C(NCCNC(=O)C1=CCCCO1)C1=CC(=O)[N-]O1	REAL250005046430	0	34	-1.0	-46.32	297.29	-1.65	-47.97
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005046431	0	36	-1.0	-45.98	306.97	-2.15	-48.13
O=C(NCCNC(=O)C1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046432	0	30	-1.0	-54.42	277.86	-5.67	-60.09
O=C(NCCNC(=O)C1=NOC(CO)=C1)C1=CC(=O)[N-]O1	REAL250005046433	0	32	-1.0	-49.41	300.34	-5.31	-54.72
O=C(NCCNC(=O)[C@@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046434	0	30	-1.0	-54.43	277.84	-5.67	-60.10
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCS1	REAL250005046435	0	36	-1.0	-46.07	315.39	-0.08	-46.15
O=C(NCCNC(=O)C1=CCCCC1)C1=CC(=O)[N-]O1	REAL250005046436	0	36	-1.0	-46.63	304.30	0.18	-46.45
CN1C=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C(N)=N1	REAL250005046437	0	34	-1.0	-52.09	305.24	-3.26	-55.35
CCC[C@H](O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046438	0	35	-1.0	-47.25	305.68	-2.88	-50.13
C#CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005046439	0	37	-1.0	-46.21	320.86	0.45	-45.76
O=C(CC1COCCO1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046440	0	37	-1.0	-50.96	317.90	-2.42	-53.38
CC(C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005046441	0	39	-1.0	-45.57	320.95	-1.74	-47.31
NC1=CC=NN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046442	0	34	-1.0	-53.54	308.30	-3.19	-56.73
CCC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005046443	0	35	-1.0	-49.61	313.65	-2.04	-51.65
CCC1=NNC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046444	0	34	-1.0	-45.79	309.40	-2.44	-48.23
CCC1=NN=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005046444	1	34	-1.0	-48.70	309.57	-2.17	-50.87
O=C(CC1(O)CCOC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046445	0	37	-1.0	-49.27	313.41	-4.60	-53.87
CC1CC(C)(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046446	0	38	-1.0	-46.54	312.86	-0.09	-46.63
CN1N=CN=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046447	0	34	-1.0	-55.55	308.19	-1.34	-56.89
CC1=NN(C)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046448	0	34	-1.0	-46.52	306.35	-1.76	-48.28
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005046449	0	37	-1.0	-48.07	312.50	-3.72	-51.79
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005046449	1	38	0.0	-67.92	318.49	-0.72	-68.64
NC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005046450	0	34	-1.0	-49.01	303.25	-2.19	-51.20
O=C(NCCNC(=O)[C@H]1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005046451	0	29	-1.0	-50.00	274.91	-1.39	-51.39
O=C(CC1=CNN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046452	0	32	-1.0	-51.84	292.76	-2.90	-54.74
C[NH+](C)CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046453	0	43	0.0	-66.17	336.01	0.06	-66.11
CC1=CC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL250005046454	0	34	-1.0	-47.53	306.95	-1.12	-48.65
O=C(CC1=CC(=O)NN1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046455	0	33	-1.0	-59.69	302.83	-4.91	-64.60
O=C(CC1=CC(=O)N[N-]1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046455	1	32	-2.0	-94.47	299.40	-5.03	-99.50
CC(C)(C)CC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046456	0	41	-1.0	-46.58	337.25	-1.66	-48.24
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC(=O)C1	REAL250005046457	0	34	-1.0	-48.26	300.25	-1.45	-49.71
O=C(CC1=CNC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046458	0	33	-1.0	-49.92	297.63	-1.49	-51.41
CCCC(C)(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046459	0	38	-1.0	-45.46	321.70	-3.46	-48.92
CCOC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046460	0	38	-1.0	-50.01	319.20	-0.88	-50.89
COC(=O)C(C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046461	0	37	-1.0	-47.06	324.84	-0.98	-48.04
CC(O)(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005046462	0	39	-1.0	-45.31	325.95	-2.63	-47.94
CC1(C)CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046463	0	39	-1.0	-50.66	330.58	-0.38	-51.04
CN1N=CC=C1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046464	0	35	-1.0	-53.31	313.17	-1.87	-55.18
O=C(CC1CC(=O)C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046465	0	34	-1.0	-52.23	303.54	-1.21	-53.44
O=C(CC1CSC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046466	0	33	-1.0	-50.33	300.58	-0.67	-51.00
O=C(NCCNC(=O)C1(F)CCC1)C1=CC(=O)[N-]O1	REAL250005046467	0	32	-1.0	-45.06	286.00	-1.05	-46.11
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=CN1	REAL250005046468	0	29	-1.0	-50.78	270.22	-2.52	-53.30
CC1=NOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046469	0	30	-1.0	-47.79	283.83	-4.59	-52.38
CCOC(=O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046470	0	34	-1.0	-54.49	306.71	-0.46	-54.95
O=C(NCCNC(=O)C1CC(=O)C1)C1=CC(=O)[N-]O1	REAL250005046471	0	31	-1.0	-49.17	282.36	-2.00	-51.17
O=C(CN1C=CN=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046472	0	31	-1.0	-59.65	286.98	-3.24	-62.89
C[N@@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046473	0	41	0.0	-67.52	321.12	-0.21	-67.73
C[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046473	1	41	0.0	-66.31	330.44	-0.05	-66.36
CN1CCCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046473	1	40	-1.0	-46.90	327.47	-2.25	-49.15
C=CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046474	0	36	-1.0	-46.19	306.87	0.45	-45.74
O=C(NCCNC(=O)C1(O)COC1)C1=CC(=O)[N-]O1	REAL250005046475	0	31	-1.0	-49.16	278.67	-6.88	-56.04
CCC(C)C(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046476	0	38	-1.0	-46.67	316.32	-1.85	-48.52
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005046477	0	33	-1.0	-47.58	295.68	-0.12	-47.70
CC1=CC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046478	0	30	-1.0	-47.49	278.46	-0.89	-48.38
CN(C)C(=O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046479	0	32	-1.0	-46.08	285.63	-3.53	-49.61
CC(=O)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046480	0	34	-1.0	-46.33	309.18	-1.23	-47.56
CCCC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046481	0	35	-1.0	-47.20	305.69	-2.88	-50.08
CCCCC(O)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046482	0	38	-1.0	-47.17	327.19	-2.10	-49.27
COC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005046483	0	36	-1.0	-51.28	312.69	-4.44	-55.72
O=C(CSC1CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046484	0	33	-1.0	-48.92	308.01	-0.21	-49.13
O=C(CCCC1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046485	0	41	-1.0	-47.07	344.12	1.27	-45.80
CCC(O)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046486	0	35	-1.0	-50.32	305.07	-3.21	-53.53
CN1C(=O)CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046487	0	36	-1.0	-55.25	317.27	-2.03	-57.28
N#CC1=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)NN=C1	REAL250005046488	0	30	-1.0	-52.27	289.96	-3.34	-55.61
CNC(=O)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046489	0	35	-1.0	-49.35	312.51	-4.04	-53.39
O=C(CCC1=CON=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046490	0	34	-1.0	-49.49	309.29	-1.17	-50.66
O=C(CC1=CSN=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046491	0	31	-1.0	-50.87	297.42	-1.74	-52.61
C=CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046492	0	41	0.0	-66.12	332.15	-0.16	-66.28
O=C(CCCCF)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046493	0	34	-1.0	-47.51	302.49	-0.67	-48.18
O=C(NCCNC(=O)C1=CC(=O)C=CN1)C1=CC(=O)[N-]O1	REAL250005046494	0	32	-1.0	-60.58	293.21	-2.31	-62.89
O=C(NCCNC(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL250005046495	0	29	-2.0	-93.51	287.97	-3.20	-96.71
CC1CC(=O)NC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046496	0	36	-1.0	-54.03	315.82	-3.87	-57.90
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CSN=C1	REAL250005046497	0	28	-1.0	-48.25	274.19	-2.41	-50.66
CN1N=C(N)C=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046498	0	34	-1.0	-48.54	304.92	-3.65	-52.19
O=C(NCCNC(=O)C1CCC(=O)C1)C1=CC(=O)[N-]O1	REAL250005046499	0	34	-1.0	-48.99	299.97	-1.37	-50.36
O=C(NCCNC(=O)C1CCCSC1)C1=CC(=O)[N-]O1	REAL250005046500	0	36	-1.0	-46.16	313.85	-0.07	-46.23
O=C(NCCNC(=O)[C@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046501	0	30	-1.0	-54.91	277.36	-6.01	-60.92
CN1C=C(N)C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046502	0	34	-1.0	-49.49	306.31	-4.21	-53.70
CC(C)C=C(C#N)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046503	0	36	-1.0	-46.05	324.86	-0.18	-46.23
NC1=CSN=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046504	0	30	-1.0	-46.02	285.54	-4.44	-50.46
O=C(CN1C=NC=N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046505	0	31	-1.0	-57.11	287.87	-0.51	-57.62
COC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046506	0	33	-1.0	-45.25	294.03	-2.52	-47.77
CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(=O)OC	REAL250005046507	0	37	-1.0	-53.10	320.23	0.03	-53.07
O=C(NCCNC(=O)C1CSC1)C1=CC(=O)[N-]O1	REAL250005046508	0	30	-1.0	-47.09	279.50	-1.44	-48.53
NC1=NC=C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046509	0	30	-1.0	-48.12	282.45	-7.27	-55.39
O=C(CC1(CO)CC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046510	0	36	-1.0	-47.04	314.35	-3.68	-50.72
O=C(CC1=NC=CS1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046511	0	31	-1.0	-50.59	297.70	-2.27	-52.86
O=C(NCCNC(=O)C1CCC=CO1)C1=CC(=O)[N-]O1	REAL250005046512	0	34	-1.0	-49.45	298.40	-0.72	-50.17
O=C(NCCNC(=O)C1(O)CCCC1)C1=CC(=O)[N-]O1	REAL250005046513	0	36	-1.0	-47.40	304.20	-3.51	-50.91
CCC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005046514	0	36	-1.0	-46.45	305.79	-2.35	-48.80
CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005046515	0	36	-1.0	-45.98	306.97	-2.15	-48.13
O=C(NCCNC(=O)C1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046516	0	30	-1.0	-54.42	277.86	-5.67	-60.09
O=C(NCCNC(=O)C1=NOC(CO)=C1)C1=CC(=O)[N-]O1	REAL250005046517	0	32	-1.0	-49.41	300.34	-5.31	-54.72
CC(=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005046518	0	41	-1.0	-45.69	336.48	0.60	-45.09
O=C(NCCNC(=O)C1=CCCOCC1)C1=CC(=O)[N-]O1	REAL250005046519	0	37	-1.0	-47.31	311.16	-1.56	-48.87
C[C@@H]1OCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046520	0	36	-1.0	-48.87	303.49	-2.29	-51.16
O=C(NCCNC(=O)C1CC(F)C1)C1=CC(=O)[N-]O1	REAL250005046521	0	32	-1.0	-49.33	286.28	-0.99	-50.32
CCC(O)C(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046522	0	38	-1.0	-49.73	320.49	-2.46	-52.19
CCC(C)(C)OCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046523	0	41	-1.0	-49.75	338.59	-0.26	-50.01
O=C(CC1CC(=O)N1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046524	0	33	-1.0	-53.18	298.25	-5.04	-58.22
O=C(NCCNC(=O)C(O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005046525	0	36	-1.0	-46.92	307.24	-2.11	-49.03
O=C(NCCNC(=O)C1=NNC(=O)CC1)C1=CC(=O)[N-]O1	REAL250005046526	0	33	-1.0	-47.71	299.14	-4.49	-52.20
NC(=O)NCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046527	0	37	-1.0	-52.93	328.13	-6.03	-58.96
O=C(NCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=NO1	REAL250005046528	0	28	-1.0	-46.33	267.00	-2.63	-48.96
O=C(NCCNC(=O)C12CCC(C1)OC2)C1=CC(=O)[N-]O1	REAL250005046529	0	37	-1.0	-46.97	312.97	-1.98	-48.95
O=C(NCCNC(=O)C1CC12CC(O)C2)C1=CC(=O)[N-]O1	REAL250005046530	0	37	-1.0	-49.01	322.10	-3.05	-52.06
O=C(C=CC1=NNC=C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046531	0	33	-1.0	-50.03	305.17	-2.18	-52.21
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C(F)F	REAL250005046532	0	34	-1.0	-48.38	302.07	-0.78	-49.16
O=C(C[C@@H]1CCC[C@H]1O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046533	0	39	-1.0	-48.61	327.42	-3.06	-51.67
C[C@@H]1CC=CC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046534	0	39	-1.0	-46.31	325.19	0.51	-45.80
NC(=O)NC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046535	0	35	-1.0	-55.31	315.61	-6.21	-61.52
COCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046536	0	35	-1.0	-48.44	308.07	-2.51	-50.95
O=C(NCCCNC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005046537	0	32	-1.0	-48.57	284.91	-0.81	-49.38
O=C(NCCCNC(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005046538	0	35	-1.0	-48.48	301.13	-0.31	-48.79
O=C(NCCCNC(=O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005046539	0	38	-1.0	-48.29	317.43	0.31	-47.98
O=C(NCCCNC(=O)C1CCOCC1)C1=CC(=O)[N-]O1	REAL250005046540	0	39	-1.0	-49.85	326.70	-1.44	-51.29
O=C(CC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046541	0	35	-1.0	-48.87	305.34	-0.04	-48.91
CC(C)(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046542	0	34	-1.0	-47.31	300.07	-0.86	-48.17
CC(F)(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046543	0	31	-1.0	-45.76	286.25	-1.39	-47.15
COCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046544	0	32	-1.0	-51.98	287.12	-2.22	-54.20
O=C(NCCCNC(=O)C1=CC=CC=N1)C1=CC(=O)[N-]O1	REAL250005046545	0	34	-1.0	-49.40	306.99	-0.98	-50.38
O=C(NCCCNC(=O)C1=CC=NC=C1)C1=CC(=O)[N-]O1	REAL250005046546	0	34	-1.0	-50.00	304.97	-1.04	-51.04
CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046547	0	34	-1.0	-48.60	295.90	-0.82	-49.42
O=C(NCCCNC(=O)C1=CC=CN=C1)C1=CC(=O)[N-]O1	REAL250005046548	0	34	-1.0	-49.89	304.77	-1.05	-50.94
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL250005046549	0	32	-1.0	-49.12	294.01	-1.27	-50.39
CC(=O)NCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046550	0	35	-1.0	-50.57	313.08	-3.91	-54.48
O=C(NCCCNC(=O)C1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL250005046551	0	35	-1.0	-49.77	309.79	0.72	-49.05
CC(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046552	0	37	-1.0	-48.11	312.62	-0.23	-48.34
O=C(NCCCNC(=O)C1CCCCC1)C1=CC(=O)[N-]O1	REAL250005046553	0	41	-1.0	-48.11	335.57	0.98	-47.13
O=C(NCCCNC(=O)C1=CN=CC=N1)C1=CC(=O)[N-]O1	REAL250005046554	0	33	-1.0	-49.62	301.79	-2.87	-52.49
O=C(CC1CCCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046555	0	41	-1.0	-48.35	337.60	1.03	-47.32
O=C(NCCCNC(=O)C1=CC=CS1)C1=CC(=O)[N-]O1	REAL250005046556	0	32	-1.0	-48.64	301.93	-0.27	-48.91
CC1CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046557	0	35	-1.0	-48.48	306.29	-0.14	-48.62
CCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046558	0	35	-1.0	-51.95	308.97	-1.26	-53.21
CC(C)=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046559	0	35	-1.0	-47.87	303.88	-0.27	-48.14
O=C(NCCCNC(=O)C1=COCCO1)C1=CC(=O)[N-]O1	REAL250005046560	0	35	-1.0	-53.66	307.95	-1.64	-55.30
CC(=O)NC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046561	0	38	-1.0	-50.49	332.33	-3.06	-53.55
CC1=CC=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046562	0	35	-1.0	-48.67	315.93	-0.44	-49.11
O=C(NCCCNC(=O)C1CCCO1)C1=CC(=O)[N-]O1	REAL250005046563	0	36	-1.0	-52.22	310.41	-1.01	-53.23
CSCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046564	0	32	-1.0	-51.00	297.46	-1.16	-52.16
CC1=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005046565	0	34	-1.0	-48.74	310.43	-1.20	-49.94
CSCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046566	0	35	-1.0	-47.98	319.13	-0.34	-48.32
CC(C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046567	0	40	-1.0	-48.45	334.96	0.47	-47.98
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=C1	REAL250005046568	0	32	-1.0	-49.69	301.12	-0.37	-50.06
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005046569	0	35	-1.0	-49.18	311.46	-0.50	-49.68
O=C(CC1C=CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046570	0	39	-1.0	-48.86	329.76	0.95	-47.91
O=C(CN1C=NN=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046571	0	33	-1.0	-63.60	303.20	-2.04	-65.64
CN1C=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005046572	0	35	-1.0	-51.53	314.83	-1.53	-53.06
O=C(NCCCNC(=O)C1CC=CCC1)C1=CC(=O)[N-]O1	REAL250005046573	0	39	-1.0	-48.03	327.84	0.87	-47.16
CC1=NOC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046574	0	34	-1.0	-47.79	310.46	-1.25	-49.04
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=CN1	REAL250005046575	0	33	-1.0	-51.36	296.90	-1.48	-52.84
CC(=O)CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046576	0	39	-1.0	-57.25	340.60	-0.12	-57.37
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=COC=C1	REAL250005046577	0	32	-1.0	-52.34	293.18	-1.32	-53.66
O=C(CN1C=CC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046578	0	35	-1.0	-56.72	314.63	-1.17	-57.89
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005046579	0	35	-1.0	-48.86	311.91	-0.58	-49.44
CCCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046580	0	40	-1.0	-48.52	338.89	0.75	-47.77
CC(C)(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046581	0	40	-1.0	-47.22	327.59	0.30	-46.92
CN1C=CC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046582	0	36	-1.0	-49.47	315.28	0.15	-49.32
CCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046583	0	37	-1.0	-48.59	317.40	-0.04	-48.63
CC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046584	0	34	-1.0	-48.34	293.94	-0.91	-49.25
CCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046585	0	37	-1.0	-48.30	312.07	-0.26	-48.56
CC(=O)N(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046586	0	38	-1.0	-57.04	330.47	-1.62	-58.66
CCC(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046587	0	40	-1.0	-48.35	327.92	0.21	-48.14
CC(C)OCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046588	0	41	-1.0	-48.25	350.20	-0.80	-49.05
O=C(NCCCNC(=O)C1COCCO1)C1=CC(=O)[N-]O1	REAL250005046589	0	37	-1.0	-51.80	319.36	-2.20	-54.00
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=NN1	REAL250005046590	0	32	-1.0	-49.57	291.60	-2.80	-52.37
CSC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046591	0	35	-1.0	-50.88	315.91	-0.60	-51.48
CCOC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046592	0	38	-1.0	-51.76	328.76	-0.56	-52.32
CCOCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046593	0	41	-1.0	-51.17	351.42	-0.78	-51.95
O=C(COCC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046594	0	39	-1.0	-52.17	340.64	0.32	-51.85
O=C(CC1CCCO1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046595	0	39	-1.0	-52.09	330.50	-0.55	-52.64
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CNN=C1	REAL250005046596	0	32	-1.0	-50.75	291.89	-2.84	-53.59
COCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046597	0	38	-1.0	-51.25	329.57	-1.75	-53.00
CCOC1CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046598	0	39	-1.0	-47.89	340.49	-0.92	-48.81
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=NSN=C1	REAL250005046599	0	30	-1.0	-46.79	290.74	-3.32	-50.11
O=C(NCCCNC(=O)C1=CN=NS1)C1=CC(=O)[N-]O1	REAL250005046600	0	30	-1.0	-49.09	292.07	-2.67	-51.76
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=NOC=C1	REAL250005046601	0	31	-1.0	-49.71	288.49	-2.03	-51.74
CC(=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046602	0	39	-1.0	-47.49	331.98	1.17	-46.32
CC1=NNC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046603	0	35	-1.0	-49.64	313.55	-2.23	-51.87
O=C(NCCCNC(=O)C1=CN=CS1)C1=CC(=O)[N-]O1	REAL250005046604	0	31	-1.0	-49.76	296.94	-2.13	-51.89
CCC=C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046605	0	38	-1.0	-48.68	323.10	0.47	-48.21
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005046606	0	34	-1.0	-49.10	306.79	-3.86	-52.96
CCOC(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046607	0	41	-1.0	-50.41	349.23	0.31	-50.10
O=C(CC(F)(F)F)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046608	0	31	-1.0	-51.97	291.81	-1.17	-53.14
COC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046609	0	35	-1.0	-51.65	306.10	-1.46	-53.11
CC(C)OCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046610	0	38	-1.0	-51.82	329.25	-0.53	-52.35
CCCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046611	0	38	-1.0	-51.74	330.47	-0.46	-52.20
O=C(NCCCNC(=O)C1CCOC1)C1=CC(=O)[N-]O1	REAL250005046612	0	36	-1.0	-50.16	308.42	-2.28	-52.44
CN1N=CC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046613	0	35	-1.0	-49.64	310.25	-1.55	-51.19
CCC(OC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046614	0	38	-1.0	-50.45	328.11	-0.68	-51.13
COCCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046615	0	41	-1.0	-49.46	351.07	-0.96	-50.42
CCCC(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046616	0	43	-1.0	-48.00	352.35	1.19	-46.81
COC(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046617	0	38	-1.0	-49.91	327.21	-0.97	-50.88
C=CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046618	0	35	-1.0	-48.47	308.71	-0.25	-48.72
O=C(NCCCNC(=O)C1=COCCC1)C1=CC(=O)[N-]O1	REAL250005046619	0	37	-1.0	-49.03	315.98	-0.98	-50.01
O=C(NCCCNC(=O)C1CCCOC1)C1=CC(=O)[N-]O1	REAL250005046620	0	39	-1.0	-48.31	326.61	-1.42	-49.73
CCOCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046621	0	38	-1.0	-48.34	329.93	-1.54	-49.88
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=N1	REAL250005046622	0	31	-1.0	-49.35	297.03	-2.28	-51.63
COCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046623	0	38	-1.0	-48.08	326.78	-1.79	-49.87
C=CCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046624	0	36	-1.0	-52.23	321.88	-0.68	-52.91
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=COC=N1	REAL250005046625	0	31	-1.0	-49.62	288.80	-4.68	-54.30
O=C(NCCCNC(=O)[C@H]1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046626	0	36	-1.0	-56.90	316.74	-3.70	-60.60
CC1=NC=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005046627	0	35	-1.0	-52.00	313.71	-1.90	-53.90
C[N@@H+]1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046628	0	41	0.0	-70.32	329.99	-0.31	-70.63
C[N@H+]1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046628	1	41	0.0	-70.43	330.01	-0.31	-70.74
CN1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046628	1	40	-1.0	-50.13	335.21	-2.13	-52.26
CCC(=O)NCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046629	0	38	-1.0	-50.26	333.37	-3.09	-53.35
CC(C)(C)C=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046630	0	41	-1.0	-48.21	345.89	0.82	-47.39
CCCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046631	0	40	-1.0	-48.32	333.57	0.49	-47.83
O=C(CCC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046632	0	38	-1.0	-48.69	327.51	0.75	-47.94
CCCCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046633	0	41	-1.0	-51.74	351.97	0.32	-51.42
O=C(CC1=NOC=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046634	0	34	-1.0	-55.83	308.63	-1.24	-57.07
O=C(CC1CCOC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046635	0	39	-1.0	-49.95	328.62	-1.54	-51.49
O=C(NCCCNC(=O)C1CC=CC1)C1=CC(=O)[N-]O1	REAL250005046636	0	36	-1.0	-48.37	309.94	0.18	-48.19
O=C(CC1=NNC=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046637	0	35	-1.0	-55.38	313.49	-2.15	-57.53
O=C(CC1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046638	0	38	-1.0	-48.72	322.30	0.48	-48.24
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005046639	0	34	-1.0	-49.58	306.77	-3.96	-53.54
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046640	0	38	-1.0	-48.64	323.25	0.54	-48.10
O=C(NCCCNC(=O)C1C2CCCC21)C1=CC(=O)[N-]O1	REAL250005046641	0	39	-1.0	-48.08	322.90	1.23	-46.85
O=C(CCC1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046642	0	41	-1.0	-48.45	344.13	1.27	-47.18
CC=C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046643	0	35	-1.0	-48.85	302.71	-0.30	-49.15
CC1CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046644	0	38	-1.0	-48.20	320.86	0.29	-47.91
O=C(C=C1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046645	0	36	-1.0	-48.80	313.56	0.42	-48.38
CCC(=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005046646	0	41	-1.0	-47.10	344.16	1.21	-45.89
CC(C)=C(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046647	0	35	-1.0	-45.79	308.61	-0.21	-46.00
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CCCC1	REAL250005046648	0	36	-1.0	-48.56	310.98	0.29	-48.27
CN1C=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046649	0	36	-1.0	-51.19	319.82	0.33	-50.86
CN1C=NC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046650	0	35	-1.0	-51.91	315.35	-0.06	-51.97
O=C(NCCCNC(=O)C1CCCCO1)C1=CC(=O)[N-]O1	REAL250005046651	0	39	-1.0	-51.64	328.34	-0.21	-51.85
CC1(C)CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046652	0	38	-1.0	-47.74	321.51	0.41	-47.33
CCC(C)OCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046653	0	41	-1.0	-51.69	350.01	0.27	-51.42
CC1(C)C[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046654	0	38	-1.0	-47.74	321.52	0.41	-47.33
O=C(NCCCNC(=O)[C@@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005046655	0	36	-1.0	-52.40	310.62	-1.05	-53.45
C#CCCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046656	0	39	-1.0	-49.60	344.67	1.27	-48.33
CCNC(=O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046657	0	38	-1.0	-59.72	331.97	-1.69	-61.41
COC(C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046658	0	41	-1.0	-49.25	349.11	-0.97	-50.22
O=C(NCCCNC(=O)C1=CN=CN=C1)C1=CC(=O)[N-]O1	REAL250005046659	0	33	-1.0	-49.72	299.72	-1.23	-50.95
O=C(NCCCNC(=O)C1=CCOCC1)C1=CC(=O)[N-]O1	REAL250005046660	0	37	-1.0	-49.38	317.12	-1.46	-50.84
O=C(CC1=COC=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046661	0	35	-1.0	-51.63	315.15	-0.64	-52.27
CC1=NC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005046662	0	34	-1.0	-48.92	310.79	-3.94	-52.86
C[C@H](NC(N)=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046663	0	37	-1.0	-51.36	325.56	-5.83	-57.19
CC1=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005046664	0	35	-1.0	-52.14	315.08	-0.48	-52.62
CCC(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046665	0	40	-1.0	-48.10	330.85	0.43	-47.67
C#CCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046666	0	36	-1.0	-51.35	323.18	0.48	-50.87
CC(C)(O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046667	0	38	-1.0	-48.14	318.85	-2.16	-50.30
COC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046668	0	39	-1.0	-49.98	336.14	0.29	-49.69
CN1N=NC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046669	0	34	-1.0	-50.51	304.94	-2.93	-53.44
CCCCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046670	0	43	-1.0	-48.24	355.07	1.27	-46.97
CC1(C)CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046671	0	41	-1.0	-48.16	341.42	0.79	-47.37
CC(C)[C@@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046672	0	38	-1.0	-48.74	321.57	-2.15	-50.89
CN1C=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005046673	0	34	-1.0	-51.05	310.86	-2.97	-54.02
CN1C=NC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046674	0	34	-1.0	-55.43	310.29	-0.86	-56.29
O=C(NCCCNC(=O)C1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005046675	0	32	-1.0	-49.74	297.91	-0.65	-50.39
CCC(C)=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046676	0	38	-1.0	-47.46	325.55	0.49	-46.97
CC(C)C#CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046677	0	36	-1.0	-49.15	323.79	0.44	-48.71
O=C(CC1(O)CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046678	0	39	-1.0	-49.04	329.10	-1.42	-50.46
CC1=CNN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046679	0	35	-1.0	-50.87	311.05	-2.14	-53.01
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005046680	0	39	-1.0	-48.85	331.27	1.17	-47.68
O=C(C#CC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046681	0	34	-1.0	-49.26	313.47	0.62	-48.64
CC(C)(C)C#CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046682	0	39	-1.0	-48.94	343.93	0.98	-47.96
O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL250005046683	0	34	-1.0	-50.97	313.87	-0.46	-51.43
NC(=O)NCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046684	0	37	-1.0	-59.07	328.13	-6.06	-65.13
CC1CCC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046685	0	41	-1.0	-48.38	338.06	0.91	-47.47
C#CCOCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046686	0	37	-1.0	-49.80	335.71	-1.00	-50.80
C#CCOC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046687	0	37	-1.0	-54.32	334.55	-0.01	-54.33
C=CCC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046688	0	41	-1.0	-48.24	341.99	0.75	-47.49
O=C(NCCCNC(=O)C1CC12CCC2)C1=CC(=O)[N-]O1	REAL250005046689	0	39	-1.0	-48.31	332.22	1.12	-47.19
CN(C)C(=O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046690	0	38	-1.0	-59.99	327.85	-0.60	-60.59
CN1C=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046691	0	35	-1.0	-51.84	315.41	-1.49	-53.33
COCCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046692	0	41	-1.0	-50.81	345.75	-1.21	-52.02
O=C(CN1N=CN=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046693	0	33	-1.0	-56.87	304.72	-2.43	-59.30
CCCC[C@@H](C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046694	0	43	-1.0	-48.26	355.06	1.27	-46.99
CCC(C)(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046695	0	43	-1.0	-47.14	341.82	0.78	-46.36
CC(C)C(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046696	0	43	-1.0	-47.80	339.58	0.59	-47.21
C=CC(C)(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046697	0	41	-1.0	-46.97	336.25	0.69	-46.28
O=C(CN1N=CC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046698	0	34	-1.0	-55.78	310.02	-2.81	-58.59
O=C(NCCCNC(=O)[C@@H]1C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL250005046699	0	39	-1.0	-48.43	338.48	1.42	-47.01
CCC(C)(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046700	0	43	-1.0	-48.44	342.99	0.63	-47.81
C=C(C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046701	0	38	-1.0	-48.20	330.35	0.42	-47.78
O=C(NCCCNC(=O)C1=CC=NS1)C1=CC(=O)[N-]O1	REAL250005046702	0	31	-1.0	-48.50	297.00	-1.64	-50.14
O=C(NCCCNC(=O)[C@]12C[C@H]1COC2)C1=CC(=O)[N-]O1	REAL250005046703	0	37	-1.0	-50.09	320.82	-1.60	-51.69
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046704	0	35	-1.0	-48.38	302.67	-0.21	-48.59
CNC(=O)NCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046705	0	37	-1.0	-51.60	327.93	-5.25	-56.85
O=C(NCCCNC(=O)[C@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005046706	0	36	-1.0	-52.36	310.65	-1.07	-53.43
CC(CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046707	0	41	-1.0	-47.85	342.29	1.23	-46.62
CC(C)(C(N)=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046708	0	38	-1.0	-59.53	324.42	-2.76	-62.29
O=C(NCCCNC(=O)C1(C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005046709	0	39	-1.0	-48.26	326.59	1.39	-46.87
COC1CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046710	0	39	-1.0	-48.01	334.51	-1.32	-49.33
C=CCCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046711	0	39	-1.0	-51.71	343.28	0.11	-51.60
C=CCOC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046712	0	39	-1.0	-52.06	341.67	0.02	-52.04
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=NSC=C1	REAL250005046713	0	31	-1.0	-48.39	296.27	-1.81	-50.20
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005046714	0	41	-1.0	-48.02	340.26	1.08	-46.94
CC1CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CO1	REAL250005046715	0	39	-1.0	-50.09	329.53	-1.44	-51.53
NC(=O)CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046716	0	38	-1.0	-59.48	333.58	-3.97	-63.45
O=C(NCCCNC(=O)C1(F)CCCC1)C1=CC(=O)[N-]O1	REAL250005046717	0	38	-1.0	-46.59	324.76	0.33	-46.26
CN1C=NC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046718	0	35	-1.0	-50.98	309.96	-0.15	-51.13
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005046719	0	43	-1.0	-47.05	339.87	0.68	-46.37
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=NNN=C1	REAL250005046720	0	31	-1.0	-48.04	287.31	-4.25	-52.29
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=NN1	REAL250005046720	1	31	-1.0	-50.42	286.41	-4.18	-54.60
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005046721	0	35	-1.0	-52.32	309.71	-1.13	-53.45
COCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046722	0	39	-1.0	-51.45	340.84	-1.27	-52.72
COCC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046723	0	41	-1.0	-47.96	344.43	-1.15	-49.11
CN1N=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046724	0	34	-1.0	-49.37	310.37	-3.14	-52.51
O=C(CCC(F)F)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046725	0	34	-1.0	-50.92	308.56	-0.54	-51.46
CC1(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046726	0	38	-1.0	-48.30	325.33	0.44	-47.86
O=C(NCCCNC(=O)C1(CCF)CC1)C1=CC(=O)[N-]O1	REAL250005046727	0	38	-1.0	-48.73	333.95	0.51	-48.22
CCC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046728	0	43	0.0	-68.34	340.64	0.13	-68.21
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CSN=N1	REAL250005046729	0	30	-1.0	-48.58	291.77	-2.91	-51.49
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005046730	0	41	-1.0	-48.30	335.73	0.83	-47.47
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=CO1	REAL250005046731	0	31	-1.0	-49.87	288.80	-4.57	-54.44
O=C(NCCCNC(=O)[C@@H]1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046732	0	36	-1.0	-56.51	316.70	-3.69	-60.20
CCC[N@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046733	0	43	0.0	-71.37	349.21	0.55	-70.82
CCC[N@@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046733	1	43	0.0	-71.37	349.21	0.54	-70.83
CC1=NNC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046734	0	35	-1.0	-53.12	310.00	-2.24	-55.36
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005046735	0	34	-1.0	-50.01	304.68	-3.57	-53.58
CC1=NNN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046735	1	34	-1.0	-47.63	305.90	-3.65	-51.28
CCCC(OC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046736	0	41	-1.0	-50.28	349.61	0.10	-50.18
C=C(C)C(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046737	0	41	-1.0	-48.30	338.34	0.56	-47.74
CC(CC(N)=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046738	0	38	-1.0	-49.95	327.41	-4.14	-54.09
O=C(NCCCNC(=O)C1CCNC1=O)C1=CC(=O)[N-]O1	REAL250005046739	0	36	-1.0	-49.64	314.94	-3.99	-53.63
C=CC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046740	0	38	-1.0	-48.64	321.59	0.05	-48.59
C[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046741	0	41	0.0	-70.42	330.01	-0.32	-70.74
C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046741	1	41	0.0	-68.34	336.27	0.20	-68.14
CN1CCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046741	1	40	-1.0	-50.12	335.21	-2.13	-52.25
C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046742	0	35	-1.0	-48.52	306.29	-0.14	-48.66
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046743	0	38	-1.0	-48.40	318.32	0.22	-48.18
CC1COC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046744	0	39	-1.0	-52.23	331.20	-0.42	-52.65
O=C(NCCCNC(=O)[C@]12C[C@H]1CCC2)C1=CC(=O)[N-]O1	REAL250005046745	0	39	-1.0	-48.55	329.50	1.00	-47.55
CC[NH+](CC)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046746	0	43	0.0	-69.65	341.57	0.22	-69.43
CCC(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046747	0	34	-1.0	-49.29	302.17	-0.78	-50.07
O=C(CCCF)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046748	0	34	-1.0	-51.32	302.49	-0.68	-52.00
CC1=COC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046749	0	35	-1.0	-51.86	312.03	-0.62	-52.48
C[C@H]1C[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046750	0	35	-1.0	-48.45	306.30	-0.14	-48.59
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C=CCC1	REAL250005046751	0	39	-1.0	-48.18	328.67	0.73	-47.45
CN1N=NC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046752	0	33	-1.0	-51.44	305.25	-3.58	-55.02
CC(C)C(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046753	0	37	-1.0	-50.10	321.39	-0.28	-50.38
C=CC(C)C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046754	0	41	-1.0	-47.55	342.46	0.87	-46.68
CCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046755	0	41	-1.0	-48.50	338.95	0.66	-47.84
CC#CCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046756	0	39	-1.0	-52.13	345.00	1.44	-50.69
O=C(NCCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=CC(=O)[N-]O1	REAL250005046757	0	37	-1.0	-48.16	320.66	-1.43	-49.59
O=C(CCCC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046758	0	41	-1.0	-48.77	349.01	1.53	-47.24
CC1(C)CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046759	0	41	-1.0	-47.71	336.71	0.78	-46.93
CC1=COC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046760	0	35	-1.0	-48.89	315.91	-0.58	-49.47
C=CC(CC)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046761	0	41	-1.0	-48.32	345.94	1.00	-47.32
CC(C)(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046762	0	41	-1.0	-48.77	335.98	0.89	-47.88
O=C(NCCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1=CC(=O)[N-]O1	REAL250005046763	0	39	-1.0	-48.39	328.83	1.03	-47.36
O=C(CC1=CON=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046764	0	34	-1.0	-53.63	309.39	-1.20	-54.83
CC(C)(C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046765	0	43	-1.0	-48.35	351.13	0.87	-47.48
O=C(NCCCNC(=O)C1=CC=NC=N1)C1=CC(=O)[N-]O1	REAL250005046766	0	33	-1.0	-48.09	302.04	-1.19	-49.28
O=C(CC1=CC=CO1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046767	0	35	-1.0	-52.62	315.16	-0.46	-53.08
O=C(NCCCNC(=O)C1=NC=CC=N1)C1=CC(=O)[N-]O1	REAL250005046768	0	33	-1.0	-53.54	302.61	-1.80	-55.34
CCC(C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046769	0	43	-1.0	-48.42	353.19	1.13	-47.29
O=C(NCCCNC(=O)C1=CC=CN=N1)C1=CC(=O)[N-]O1	REAL250005046770	0	33	-1.0	-50.30	302.06	-2.14	-52.44
CC1OCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046771	0	39	-1.0	-50.60	324.96	-1.50	-52.10
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCOC1	REAL250005046772	0	39	-1.0	-48.44	326.87	-1.76	-50.20
CCC(CC)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046773	0	43	-1.0	-48.04	344.99	0.95	-47.09
CCC(C)C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046774	0	43	-1.0	-47.73	346.14	0.93	-46.80
CCCC(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046775	0	43	-1.0	-48.15	354.57	1.03	-47.12
O=C(NCCCNC(=O)C1CCC(F)C1)C1=CC(=O)[N-]O1	REAL250005046776	0	38	-1.0	-48.19	323.91	0.38	-47.81
C=CCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046777	0	38	-1.0	-49.01	330.21	0.53	-48.48
CCC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046778	0	40	-1.0	-48.41	327.05	0.15	-48.26
CCCC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046779	0	43	-1.0	-48.40	348.55	0.92	-47.48
NC(=O)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046780	0	36	-1.0	-48.75	321.96	-4.28	-53.03
NC(=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046781	0	29	-1.0	-47.42	269.74	-6.25	-53.67
CC1=NOC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046782	0	34	-1.0	-52.04	307.22	-1.23	-53.27
CCC1(C)CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046783	0	41	-1.0	-47.68	338.59	1.05	-46.63
COCC(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046784	0	41	-1.0	-50.51	345.56	-1.12	-51.63
CC1(CCC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046785	0	41	-1.0	-48.61	343.86	1.11	-47.50
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005046786	0	34	-1.0	-47.49	307.01	-1.16	-48.65
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC=CC1	REAL250005046787	0	39	-1.0	-48.72	328.35	0.74	-47.98
COC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005046788	0	41	-1.0	-50.31	345.77	-0.12	-50.43
CC1CC1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046789	0	38	-1.0	-48.85	326.71	0.63	-48.22
C=CC(C)(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046790	0	41	-1.0	-47.87	335.71	1.22	-46.65
O=C(C[C@H]1CCOC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046791	0	39	-1.0	-50.66	328.60	-1.53	-52.19
CCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046792	0	38	-1.0	-48.52	327.36	0.37	-48.15
CC(F)(F)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046793	0	34	-1.0	-54.35	306.30	-0.62	-54.97
CCCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046794	0	41	-1.0	-48.47	348.88	1.15	-47.32
CCC[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046795	0	41	-1.0	-48.36	349.19	1.40	-46.96
CC(C)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046796	0	41	-1.0	-48.27	339.51	0.77	-47.50
C=C1CC(C)(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046797	0	39	-1.0	-48.03	332.39	0.75	-47.28
O=C(NCCCNC(=O)C1(CF)CC1)C1=CC(=O)[N-]O1	REAL250005046798	0	35	-1.0	-51.44	312.54	-0.16	-51.60
O=C(NCCCNC(=O)C1CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL250005046799	0	39	-1.0	-48.21	333.49	1.08	-47.13
CC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046800	0	37	-1.0	-48.31	312.83	-0.35	-48.66
CCCCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046801	0	43	-1.0	-48.63	360.39	1.53	-47.10
CC[N@H+](C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046802	0	43	0.0	-73.05	350.08	0.36	-72.69
CC[N@@H+](C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046802	1	43	0.0	-73.08	350.08	0.35	-72.73
CC1=CON=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046803	0	34	-1.0	-49.34	307.32	-1.35	-50.69
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046804	0	36	-1.0	-54.39	320.67	-4.14	-58.53
CC[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046805	0	43	0.0	-68.33	340.64	0.13	-68.20
O=C(NCCCNC(=O)C1(CF)CCC1)C1=CC(=O)[N-]O1	REAL250005046806	0	38	-1.0	-47.96	321.80	0.49	-47.47
O=C(CN1C=NC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046807	0	34	-1.0	-58.86	309.37	0.26	-58.60
O=C(CC1=NNC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046808	0	34	-1.0	-56.50	309.02	-1.74	-58.24
O=C(CC1=NN=CN1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046808	1	34	-1.0	-61.88	307.63	-1.20	-63.08
CC(C)C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046809	0	40	-1.0	-47.74	327.97	0.30	-47.44
CC[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046810	0	38	-1.0	-48.46	327.70	0.62	-47.84
CC(C)CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046811	0	43	-1.0	-48.46	356.46	1.25	-47.21
O=C(NCCCNC(=O)C1CC12CC2)C1=CC(=O)[N-]O1	REAL250005046812	0	36	-1.0	-48.84	317.36	0.66	-48.18
O=C(CC1=CNC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046813	0	35	-1.0	-56.47	312.93	-0.92	-57.39
O=C(CC1=CN=CN1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046813	1	35	-1.0	-55.42	313.78	-1.12	-56.54
O=C(NCCCNC(=O)[C@@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046814	0	33	-1.0	-56.26	299.34	-4.91	-61.17
O=C(NCCCNC(=O)C1=CCCCC1)C1=CC(=O)[N-]O1	REAL250005046815	0	39	-1.0	-48.37	325.80	0.94	-47.43
CC(=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005046816	0	41	-1.0	-47.41	342.37	0.98	-46.43
O=C(NCCCNC(=O)[C@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046817	0	33	-1.0	-56.76	298.86	-5.24	-62.00
O=C(CN1C=NC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046818	0	34	-1.0	-58.86	309.37	0.26	-58.60
COC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046819	0	36	-1.0	-50.78	312.91	-1.04	-51.82
O=C(NCCCNC(=O)C1CSC1)C1=CC(=O)[N-]O1	REAL250005046820	0	33	-1.0	-48.74	301.00	-0.66	-49.40
O=C(NCCCNC(=O)C1(O)CCCC1)C1=CC(=O)[N-]O1	REAL250005046821	0	39	-1.0	-49.18	325.68	-2.73	-51.91
C=CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046822	0	32	-1.0	-48.95	287.31	-1.04	-49.99
C[NH+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046823	0	37	0.0	-71.73	309.98	-0.87	-72.60
CN(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046823	1	36	-1.0	-49.15	307.90	-3.25	-52.40
C=CC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046824	0	33	-1.0	-49.09	298.40	-3.17	-52.26
[N-]=[N+]=NCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046825	0	36	-1.0	-51.39	326.03	-4.16	-55.55
CC1(C)COC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046826	0	39	-1.0	-52.31	331.27	-0.75	-53.06
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005046827	0	40	-1.0	-49.81	334.00	-2.94	-52.75
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005046827	1	41	0.0	-69.68	339.99	0.06	-69.62
O=C(NCCCNC(=O)[C@H]1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005046828	0	32	-1.0	-49.76	297.91	-0.65	-50.41
O=C(CC1=CNN=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046829	0	35	-1.0	-53.47	314.26	-2.12	-55.59
CC(C)NC(=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046830	0	38	-1.0	-47.06	333.79	-3.10	-50.16
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005046831	0	37	-1.0	-48.29	317.99	-0.92	-49.21
O=C(C=C1CCCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046832	0	39	-1.0	-48.36	329.82	1.03	-47.33
C[N@H+](CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046833	0	41	0.0	-68.43	339.25	0.54	-67.89
C[N@@H+](CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046833	1	41	0.0	-68.92	339.38	0.54	-68.38
CN(CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046833	1	40	-1.0	-49.16	333.27	-1.86	-51.02
O=C(NCCCNC(=O)C1(CO)COC1)C1=CC(=O)[N-]O1	REAL250005046834	0	37	-1.0	-51.90	317.97	-5.18	-57.08
CC(C)=CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046835	0	41	-1.0	-48.24	347.35	1.15	-47.09
O=C(NCCCNC(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005046836	0	33	-1.0	-49.31	291.75	-3.08	-52.39
CC1CCC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046837	0	39	-1.0	-52.31	331.74	-0.21	-52.52
O=C(CC1(CO)CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046838	0	39	-1.0	-48.50	335.96	-2.91	-51.41
C[NH+]1CC(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046839	0	41	0.0	-72.66	341.43	-0.04	-72.70
CC1(O)CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046840	0	39	-1.0	-51.87	332.05	-3.13	-55.00
CO[C@H](C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046841	0	35	-1.0	-51.71	306.90	-1.52	-53.23
CC1=NNC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046842	0	34	-1.0	-47.49	309.41	-2.28	-49.77
CC1=NN=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005046842	1	34	-1.0	-50.54	309.62	-2.02	-52.56
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)N1	REAL250005046843	0	32	-1.0	-55.25	297.54	-4.20	-59.45
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL250005046843	1	31	-2.0	-86.13	295.41	-5.87	-92.00
CC=CC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046844	0	36	-1.0	-48.82	320.11	-2.31	-51.13
CCCC[C@H](C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046845	0	43	-1.0	-48.24	355.07	1.27	-46.97
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046846	0	40	0.0	-69.88	328.09	-0.47	-70.35
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005046846	1	39	-1.0	-48.93	320.36	-2.82	-51.75
CCC=C(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046847	0	35	-1.0	-46.03	313.24	-0.17	-46.20
CCC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046848	0	35	-1.0	-48.56	309.06	-0.21	-48.77
O=C(NCCCNC(=O)C1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046850	0	36	-1.0	-56.49	316.70	-3.69	-60.18
CC(C)(CO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046851	0	38	-1.0	-48.38	322.18	-3.55	-51.93
CN1C=CN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046852	0	35	-1.0	-49.65	311.12	-0.81	-50.46
O=C(CC(O)C1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046853	0	39	-1.0	-51.80	337.36	-1.70	-53.50
CC(=CC1CC1)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046854	0	39	-1.0	-48.69	333.63	1.23	-47.46
O=C(NCCCNC(=O)C1CCC=CO1)C1=CC(=O)[N-]O1	REAL250005046855	0	37	-1.0	-51.36	319.99	0.07	-51.29
O=C(CC1CSC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046856	0	36	-1.0	-51.90	322.09	0.10	-51.80
O=C(NCCCNC(=O)C1(F)CCC1)C1=CC(=O)[N-]O1	REAL250005046857	0	35	-1.0	-46.55	307.49	-0.27	-46.82
NC(=O)C=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046858	0	33	-1.0	-51.24	304.36	-4.93	-56.17
C#CCSCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046859	0	34	-1.0	-53.13	324.70	0.26	-52.87
CC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046860	0	32	-1.0	-49.58	285.19	-3.71	-53.29
O=C(NCCCNC(=O)C1(O)CCC1)C1=CC(=O)[N-]O1	REAL250005046861	0	36	-1.0	-48.47	307.68	-3.38	-51.85
O=C(NCCCNC(=O)C(O)C1CC1)C1=CC(=O)[N-]O1	REAL250005046862	0	36	-1.0	-48.71	317.18	-2.17	-50.88
O=C(CN1C=NN=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046863	0	34	-1.0	-60.36	309.89	1.18	-59.18
C=CCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046864	0	38	-1.0	-48.13	326.57	0.33	-47.80
O=C(NCCCNC(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005046865	0	32	-1.0	-52.25	291.12	-0.74	-52.99
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046866	0	40	0.0	-69.88	328.09	-0.47	-70.35
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005046866	1	39	-1.0	-48.93	320.36	-2.82	-51.75
O=C(CCF)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046867	0	31	-1.0	-48.04	280.99	-1.44	-49.48
O=C(CN1C=CN=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046868	0	34	-1.0	-61.37	308.48	-2.46	-63.83
C=CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046869	0	39	-1.0	-47.82	328.36	1.23	-46.59
O=C(NCCCNC(=O)C1(O)COC1)C1=CC(=O)[N-]O1	REAL250005046870	0	34	-1.0	-51.02	300.18	-6.12	-57.14
CCC(C)C(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046871	0	41	-1.0	-48.46	337.82	-1.07	-49.53
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005046872	0	36	-1.0	-49.41	317.18	0.65	-48.76
CCC1CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046873	0	38	-1.0	-48.43	327.70	0.62	-47.81
CC(O)CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046874	0	41	-1.0	-51.23	349.24	-2.55	-53.78
O=C(CC1(O)CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046875	0	36	-1.0	-52.52	316.34	-3.57	-56.09
O=C(C=CCF)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046876	0	32	-1.0	-50.73	294.15	-0.86	-51.59
O=C(NCCCNC(=O)C(F)CC1CC1)C1=CC(=O)[N-]O1	REAL250005046877	0	38	-1.0	-48.95	333.75	0.77	-48.18
CCC(CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)OC	REAL250005046878	0	41	-1.0	-49.41	343.10	-0.34	-49.75
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=C(Cl)CC1	REAL250005046879	0	33	-1.0	-51.22	312.46	0.26	-50.96
O=C(NCCCNC(=O)[C@]12C[C@H]1[C@H](F)C2)C1=CC(=O)[N-]O1	REAL250005046880	0	36	-1.0	-51.39	319.98	0.47	-50.92
O=C(NCCCNC(=O)C1=CCCOC1)C1=CC(=O)[N-]O1	REAL250005046881	0	37	-1.0	-49.37	317.12	-1.45	-50.82
CC(C)(C)C(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046882	0	41	-1.0	-47.87	335.63	-2.59	-50.46
C#CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046883	0	33	-1.0	-48.70	301.68	-0.30	-49.00
O=C(CN1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046884	0	37	-1.0	-50.10	315.76	-3.66	-53.76
O=C(C[NH+]1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046884	1	38	0.0	-71.60	320.08	-0.44	-72.04
CC(C)C(O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046885	0	41	-1.0	-51.45	341.00	-1.70	-53.15
CCCC(C)(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046886	0	41	-1.0	-46.98	343.20	-2.69	-49.67
CCOC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046887	0	41	-1.0	-51.99	340.70	-0.10	-52.09
C#C[C@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046888	0	34	-1.0	-51.37	307.78	0.35	-51.02
[N-]=[N+]=NC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046889	0	34	-1.0	-45.72	308.12	-3.73	-49.45
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)O1	REAL250005046890	0	32	-1.0	-51.58	298.70	-4.00	-55.58
CC(C)[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046891	0	41	-1.0	-48.36	346.76	1.18	-47.18
O=C(NCCCNC(=O)C1C2CCC21)C1=CC(=O)[N-]O1	REAL250005046892	0	36	-1.0	-48.50	307.61	0.52	-47.98
C=C1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046893	0	36	-1.0	-47.80	313.95	0.17	-47.63
C[C@H]1C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005046894	0	38	-1.0	-48.41	322.79	0.41	-48.00
C[C@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046895	0	40	0.0	-69.75	328.12	-0.45	-70.20
C[C@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005046895	1	39	-1.0	-48.76	319.59	-2.90	-51.66
CC=CC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046896	0	36	-1.0	-48.75	323.14	0.46	-48.29
CN1N=CN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046897	0	34	-1.0	-47.67	305.87	-0.84	-48.51
O=C(NCCCNC(=O)[C@@H]1CC[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005046898	0	39	-1.0	-50.17	329.08	-3.02	-53.19
O=C(NCCCNC(=O)[C@@H]1CC=CCC1)C1=CC(=O)[N-]O1	REAL250005046899	0	39	-1.0	-48.02	327.93	0.87	-47.15
COCC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046900	0	36	-1.0	-50.71	321.32	-1.93	-52.64
CC1CN(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046901	0	40	-1.0	-50.61	337.89	-2.66	-53.27
CC1C[NH+](CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046901	1	41	0.0	-71.45	341.25	0.23	-71.22
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005046902	0	36	-1.0	-48.79	310.09	-2.47	-51.26
O=C(NCCCNC(=O)C1=CCCCO1)C1=CC(=O)[N-]O1	REAL250005046903	0	37	-1.0	-47.83	318.79	-0.87	-48.70
O=C(NCCCNC(=O)C1=CCCS1)C1=CC(=O)[N-]O1	REAL250005046904	0	34	-1.0	-48.66	311.50	-0.04	-48.70
CC1=NOC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046905	0	36	-1.0	-57.10	319.77	-0.93	-58.03
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C(=O)NC1CC1	REAL250005046906	0	36	-1.0	-46.96	323.28	-3.05	-50.01
O=C(NCCCNC(=O)C1CCSC1)C1=CC(=O)[N-]O1	REAL250005046907	0	36	-1.0	-48.58	316.93	0.03	-48.55
O=C(NCCCNC(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005046908	0	33	-1.0	-52.87	293.29	-2.04	-54.91
[N-]=[N+]=NCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046909	0	33	-1.0	-47.97	304.54	-4.97	-52.94
C#CCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046910	0	34	-1.0	-54.73	314.76	-0.72	-55.45
O=C(CC1=NN=CO1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046911	0	33	-1.0	-57.84	304.53	-6.43	-64.27
O=C(NCCCNC(=O)C1CCCS1)C1=CC(=O)[N-]O1	REAL250005046912	0	36	-1.0	-49.29	318.82	0.04	-49.25
CC(C)(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046913	0	35	-1.0	-47.21	304.88	-4.15	-51.36
CC1=CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046914	0	33	-1.0	-49.25	299.96	-0.12	-49.37
CN(C)C(=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046915	0	35	-1.0	-47.07	306.53	-2.76	-49.83
CSC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046916	0	33	-1.0	-48.23	310.02	-0.67	-48.90
CCC(C)(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046917	0	38	-1.0	-47.08	321.50	-3.48	-50.56
CC[N@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046918	0	40	0.0	-70.98	327.72	-0.20	-71.18
CC[N@@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046918	1	40	0.0	-71.02	327.71	-0.20	-71.22
CCN(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046918	1	39	-1.0	-48.97	325.87	-2.46	-51.43
CCC=CC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046919	0	39	-1.0	-48.60	344.23	1.22	-47.38
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL250005046920	0	32	-2.0	-85.94	300.23	-4.89	-90.83
CC1=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005046921	0	36	-1.0	-54.13	318.94	-0.84	-54.97
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046922	0	39	-1.0	-48.00	327.96	0.99	-47.01
C=C1CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046923	0	36	-1.0	-48.19	314.64	0.20	-47.99
CC(O)(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046924	0	39	-1.0	-47.25	330.53	-2.45	-49.70
CC1=NC=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005046925	0	34	-1.0	-49.15	310.79	-3.83	-52.98
O=C(NCCCNC(=O)C1CCC1F)C1=CC(=O)[N-]O1	REAL250005046926	0	35	-1.0	-49.52	307.78	-0.22	-49.74
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=CN1	REAL250005046927	0	32	-1.0	-52.73	291.72	-1.74	-54.47
CC1=NOC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005046928	0	33	-1.0	-49.54	305.33	-3.81	-53.35
O=C(NCCCNC(=O)C1CC2CC2C1)C1=CC(=O)[N-]O1	REAL250005046929	0	39	-1.0	-48.08	326.82	0.96	-47.12
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CCSC1	REAL250005046930	0	34	-1.0	-48.63	310.01	0.00	-48.63
CCCC(O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046931	0	41	-1.0	-51.84	348.07	-1.66	-53.50
O=C(NCCCNC(=O)C1(Cl)CC1)C1=CC(=O)[N-]O1	REAL250005046932	0	32	-1.0	-46.17	300.39	-0.28	-46.45
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CCCO1	REAL250005046933	0	34	-1.0	-47.80	302.50	-1.70	-49.50
C[NH+](C)CC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046934	0	41	0.0	-76.12	347.21	0.39	-75.73
CCC[C@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046935	0	38	-1.0	-48.94	327.18	-2.11	-51.05
CCC(C)(OC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046936	0	41	-1.0	-51.84	337.38	-0.37	-52.21
CC(C)[C@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046937	0	38	-1.0	-48.53	320.01	-1.71	-50.24
CC(C)C(CO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046938	0	41	-1.0	-47.81	336.32	-2.58	-50.39
CCOC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046939	0	36	-1.0	-48.32	321.04	-1.35	-49.67
CCN1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046940	0	40	-1.0	-50.79	337.98	-2.75	-53.54
CC[N@@H+]1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046940	1	41	0.0	-69.03	334.78	-0.14	-69.17
CC[N@H+]1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046940	1	41	0.0	-70.34	341.62	0.15	-70.19
O=C(NCCCNC(=O)C1CCCC1O)C1=CC(=O)[N-]O1	REAL250005046941	0	39	-1.0	-51.40	327.70	-2.90	-54.30
C[C@@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046942	0	32	-1.0	-49.58	285.19	-3.71	-53.29
CCC(C)=C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046943	0	41	-1.0	-47.57	337.90	1.07	-46.50
COC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005046944	0	39	-1.0	-46.50	329.31	-1.43	-47.93
CC(C)(O)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046945	0	41	-1.0	-48.57	344.29	-2.79	-51.36
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CSN=C1	REAL250005046946	0	31	-1.0	-50.21	295.69	-1.63	-51.84
CC1CC(C)(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046947	0	41	-1.0	-48.32	334.36	0.68	-47.64
CNC(=O)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046948	0	38	-1.0	-50.82	334.01	-3.27	-54.09
O=C(CCCCF)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046949	0	37	-1.0	-49.10	323.99	0.10	-49.00
O=C(C=CCO)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046950	0	33	-1.0	-52.05	299.07	-4.33	-56.38
O=C(CC1=CN=CO1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046951	0	34	-1.0	-54.86	309.83	-3.75	-58.61
COC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046952	0	38	-1.0	-52.02	318.85	-1.03	-53.05
C[NH+](C)C(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046953	0	43	0.0	-73.93	337.45	0.31	-73.62
O=C(NCCCNC(=O)C(F)(F)CO)C1=CC(=O)[N-]O1	REAL250005046954	0	32	-1.0	-48.86	295.77	-3.35	-52.21
O=C(CCCCO)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046955	0	38	-1.0	-49.95	328.82	-3.37	-53.32
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005046956	0	34	-1.0	-48.81	306.73	-1.04	-49.85
O=C(NCCCNC(=O)C1CNC(=O)C1)C1=CC(=O)[N-]O1	REAL250005046957	0	36	-1.0	-54.73	314.93	-4.01	-58.74
O=C(NCCCNC(=O)[C@@H]1CNC(=O)N1)C1=CC(=O)[N-]O1	REAL250005046958	0	35	-1.0	-58.38	310.60	-6.15	-64.53
O=C(NCCCNC(=O)C1=CN=CS1)C1=CC(=O)[N-]O1	REAL250005046959	0	31	-1.0	-49.76	296.94	-2.13	-51.89
CC1=CC=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005046960	0	36	-1.0	-50.57	318.81	-0.92	-51.49
O=C(NCCCNC(=O)C1(CO)CC1)C1=CC(=O)[N-]O1	REAL250005046961	0	36	-1.0	-52.17	317.34	-3.65	-55.82
COC1(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046962	0	39	-1.0	-51.39	335.89	-1.31	-52.70
CC[C@H](C)[C@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046963	0	41	-1.0	-48.46	337.82	-1.07	-49.53
O=C(NCCCNC(=O)[C@]12C[C@H]1[C@H](O)C2)C1=CC(=O)[N-]O1	REAL250005046964	0	37	-1.0	-52.75	324.77	-3.01	-55.76
COC(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046965	0	32	-1.0	-51.97	293.02	-2.74	-54.71
O=C(NCCCNC(=O)C12CC1CC2)C1=CC(=O)[N-]O1	REAL250005046966	0	36	-1.0	-48.59	313.33	0.39	-48.20
CCCC(C)=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046967	0	41	-1.0	-47.34	347.05	1.26	-46.08
C=C[C@H](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046968	0	38	-1.0	-47.96	325.41	0.30	-47.66
O=C(C=CC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046969	0	36	-1.0	-48.55	319.95	0.60	-47.95
CC=C(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046970	0	38	-1.0	-48.43	323.75	0.41	-48.02
O=C(CC12CC(C1)C2)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046971	0	39	-1.0	-49.16	328.17	1.12	-48.04
CCC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005046972	0	41	-1.0	-50.40	340.62	-2.84	-53.24
C=CC(C)(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046973	0	36	-1.0	-47.46	315.06	-3.41	-50.87
CCC(C)(CO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046974	0	41	-1.0	-48.23	338.12	-3.05	-51.28
C[NH+](C)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046975	0	41	0.0	-74.32	333.75	0.16	-74.16
CN(C)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046975	1	40	-1.0	-47.57	334.68	-2.57	-50.14
O=C(NCCCNC(=O)C12CC(C1)CO2)C1=CC(=O)[N-]O1	REAL250005046976	0	37	-1.0	-47.60	317.99	-1.60	-49.20
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)O	REAL250005046977	0	41	-1.0	-51.04	333.66	-2.09	-53.13
O=C(NCCCNC(=O)C12CC(C1)OC2)C1=CC(=O)[N-]O1	REAL250005046978	0	37	-1.0	-48.81	318.77	-1.81	-50.62
CC(O)C1CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046979	0	39	-1.0	-50.18	330.87	-1.22	-51.40
C[C@@H]1C[C@@]2(C(=O)NCCCNC(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005046980	0	39	-1.0	-48.68	334.35	1.03	-47.65
O=C(CN1C=NC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046981	0	34	-1.0	-58.86	309.37	0.26	-58.60
CC1(C#CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046982	0	37	-1.0	-49.27	334.41	1.12	-48.15
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005046983	0	33	-1.0	-49.33	295.40	-0.24	-49.57
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=C(F)O1	REAL250005046984	0	32	-1.0	-46.47	300.44	-1.16	-47.63
CON=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046985	0	32	-1.0	-51.47	296.86	-3.01	-54.48
C#CCC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046986	0	39	-1.0	-48.17	336.29	0.73	-47.44
CN(CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(N)=O	REAL250005046987	0	37	-1.0	-56.85	324.46	-4.09	-60.94
O=C(NCCCNC(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL250005046988	0	31	-2.0	-86.15	294.83	-6.18	-92.33
O=C(NCCCNC(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005046989	0	32	-1.0	-46.48	291.11	-0.76	-47.24
O=C(COCCO)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046990	0	36	-1.0	-55.20	320.35	-4.39	-59.59
CC(C)(CF)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046991	0	37	-1.0	-47.24	317.83	-0.26	-47.50
CC(C)[C@@H](O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046992	0	41	-1.0	-51.73	343.24	-1.93	-53.66
CSC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046993	0	36	-1.0	-46.60	328.19	0.24	-46.36
O=C(NCCCNC(=O)C1=NOCC1)C1=CC(=O)[N-]O1	REAL250005046994	0	33	-1.0	-47.48	298.44	-2.74	-50.22
O=C(NCCCNC(=O)C1(CCO)CC1)C1=CC(=O)[N-]O1	REAL250005046995	0	39	-1.0	-49.11	338.79	-2.97	-52.08
CC(C)C(C)(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046996	0	41	-1.0	-46.85	336.39	-2.72	-49.57
CC(C[NH+](C)C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046997	0	43	0.0	-72.80	348.39	0.41	-72.39
O=C(NCCCNC(=O)C1=NN=CS1)C1=CC(=O)[N-]O1	REAL250005046998	0	30	-1.0	-49.22	292.96	-3.23	-52.45
O=C(NCCCNC(=O)C(F)C1CCC1)C1=CC(=O)[N-]O1	REAL250005046999	0	38	-1.0	-49.00	327.22	0.47	-48.53
CC1(C)CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005047000	0	39	-1.0	-52.80	334.86	-0.66	-53.46
CC1CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005047001	0	36	-1.0	-47.20	319.52	-1.98	-49.18
CC1(F)CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047002	0	38	-1.0	-47.66	328.63	0.39	-47.27
COCC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047003	0	36	-1.0	-50.02	318.54	-4.40	-54.42
C#CC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047004	0	36	-1.0	-51.04	318.65	0.10	-50.94
O=C(NCCCNC(=O)[C@H]1CNC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047005	0	35	-1.0	-58.32	310.64	-6.15	-64.47
CC1CCN1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047006	0	40	-1.0	-50.49	338.22	-2.67	-53.16
CC1CC[N@@H+]1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047006	1	41	0.0	-69.23	335.77	-0.04	-69.27
CC1CC[N@H+]1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047006	1	41	0.0	-70.21	341.32	0.20	-70.01
O=C(COC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047007	0	36	-1.0	-52.74	319.34	-0.48	-53.22
O=C(NCCCNC(=O)C1=NC=CN1)C1=CC(=O)[N-]O1	REAL250005047008	0	32	-1.0	-49.66	292.85	-2.55	-52.21
O=C(C=CC1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047009	0	39	-1.0	-48.37	336.38	1.13	-47.24
CCCC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047010	0	38	-1.0	-48.41	330.56	0.57	-47.84
CC=C(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047011	0	32	-1.0	-46.21	292.94	-0.91	-47.12
CCC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005047012	0	43	-1.0	-48.20	350.96	0.99	-47.21
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C(F)=C1CCC1	REAL250005047013	0	36	-1.0	-46.56	319.18	0.50	-46.06
CCC(CO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047014	0	38	-1.0	-48.00	320.71	-3.15	-51.15
CC(CO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047015	0	35	-1.0	-48.48	304.53	-4.20	-52.68
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CON=C1	REAL250005047016	0	31	-1.0	-49.52	288.12	-1.87	-51.39
O=C(NCCCNC(=O)[C@@H]1C[C@H]1CF)C1=CC(=O)[N-]O1	REAL250005047017	0	35	-1.0	-51.00	312.88	-0.02	-51.02
C#CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047018	0	34	-1.0	-47.68	310.61	0.26	-47.42
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=COCC1	REAL250005047019	0	34	-1.0	-49.12	301.09	-1.74	-50.86
C[C@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047020	0	32	-1.0	-53.02	284.74	-3.69	-56.71
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(F)=NN1	REAL250005047021	0	32	-1.0	-49.20	298.72	-2.99	-52.19
O=C(NCCCNC(=O)C1C=CCC1)C1=CC(=O)[N-]O1	REAL250005047022	0	36	-1.0	-48.12	309.96	0.22	-47.90
CC(O)C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047023	0	38	-1.0	-50.16	319.41	-2.42	-52.58
O=C(NCCCNC(=O)C1(O)CCOC1)C1=CC(=O)[N-]O1	REAL250005047024	0	37	-1.0	-50.48	316.60	-5.35	-55.83
C=C1CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047025	0	33	-1.0	-48.63	298.48	-0.24	-48.87
O=C(CC1CC=CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047026	0	39	-1.0	-48.94	330.44	0.93	-48.01
CC(CF)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047027	0	34	-1.0	-47.48	299.74	-0.79	-48.27
CC1(C)C=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047028	0	39	-1.0	-48.60	337.20	0.91	-47.69
O=C(NCCCNC(=O)[C@@H]1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005047029	0	32	-1.0	-49.73	297.91	-0.65	-50.38
CC(=O)NCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047030	0	38	-1.0	-58.43	334.90	-3.26	-61.69
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)N1	REAL250005047031	0	33	-1.0	-57.61	301.42	-4.65	-62.26
CC1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047032	0	41	-1.0	-48.23	338.17	0.93	-47.30
C=C(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047033	0	35	-1.0	-48.61	308.95	-0.38	-48.99
CCSCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047034	0	35	-1.0	-50.92	318.93	-0.26	-51.18
CC(C)=C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047035	0	38	-1.0	-47.89	318.88	0.42	-47.47
CCCC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047036	0	38	-1.0	-48.93	327.18	-2.11	-51.04
CCCCC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047037	0	41	-1.0	-48.91	348.68	-1.33	-50.24
O=C(CSC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047038	0	36	-1.0	-50.59	329.51	0.55	-50.04
CCC(O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047039	0	38	-1.0	-51.93	326.57	-2.43	-54.36
CC(Cl)=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047040	0	32	-1.0	-49.92	300.29	-0.45	-50.37
CC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047041	0	32	-1.0	-48.72	287.97	-0.97	-49.69
CCC(F)(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047042	0	34	-1.0	-45.56	306.15	-0.67	-46.23
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005047043	0	35	-1.0	-47.73	308.87	-0.13	-47.86
O=C(NCCCNC(=O)[C@H]1C[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005047044	0	36	-1.0	-52.26	312.57	-3.72	-55.98
CC1(C)CC1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047045	0	41	-1.0	-48.75	345.36	1.10	-47.65
CC(NC(N)=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047046	0	37	-1.0	-51.37	325.56	-5.83	-57.20
C=C(C)CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047047	0	41	-1.0	-49.13	351.56	1.18	-47.95
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC(F)C1	REAL250005047048	0	38	-1.0	-48.42	325.78	0.33	-48.09
C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047049	0	35	-1.0	-48.52	306.29	-0.14	-48.66
O=C(NCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C1=CC(=O)[N-]O1	REAL250005047050	0	39	-1.0	-48.58	327.67	0.93	-47.65
O=C(COC1COC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047051	0	37	-1.0	-53.24	326.78	-2.68	-55.92
C[C@@H]1C[C@]2(C(=O)NCCCNC(=O)C3=CC(=O)[N-]O3)C[C@H]12	REAL250005047052	0	39	-1.0	-48.39	333.04	0.98	-47.41
CNC(=O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047053	0	35	-1.0	-60.21	310.49	-2.53	-62.74
C=CC=CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047054	0	36	-1.0	-49.39	322.56	0.39	-49.00
C#CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005047055	0	37	-1.0	-47.80	326.42	0.69	-47.11
C[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047056	0	41	0.0	-67.70	335.68	0.10	-67.60
C[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047056	1	41	0.0	-70.40	329.95	-0.31	-70.71
CN1CCC[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047056	1	40	-1.0	-47.78	327.39	-2.77	-50.55
O=C(NCCCNC(=O)C1CC=CCO1)C1=CC(=O)[N-]O1	REAL250005047057	0	37	-1.0	-51.65	320.46	-0.34	-51.99
O=C(CCOC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047058	0	39	-1.0	-48.51	340.29	-0.77	-49.28
O=C(CCCCCO)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047059	0	41	-1.0	-51.74	350.31	-2.60	-54.34
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=N1	REAL250005047060	0	31	-1.0	-49.35	297.03	-2.28	-51.63
O=C(NCCCNC(=O)C1(CO)CCC1)C1=CC(=O)[N-]O1	REAL250005047061	0	39	-1.0	-49.17	326.16	-2.48	-51.65
NC(=O)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047062	0	35	-1.0	-50.79	312.08	-4.75	-55.54
C=CCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047063	0	39	-1.0	-48.69	339.97	0.98	-47.71
O=C(COC(F)F)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047064	0	32	-1.0	-51.22	298.72	-1.87	-53.09
COC(C)(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047065	0	41	-1.0	-50.25	336.94	-0.33	-50.58
CC(O)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047066	0	38	-1.0	-49.91	327.74	-3.32	-53.23
C#CCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047067	0	36	-1.0	-48.29	319.55	0.27	-48.02
CC(CCO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047068	0	38	-1.0	-52.06	323.49	-3.62	-55.68
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C(F)=CC1CC1	REAL250005047069	0	36	-1.0	-46.07	324.49	0.65	-45.42
O=C(CC1CC(F)C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047070	0	38	-1.0	-51.95	328.91	0.55	-51.40
O=C(NCCCNC(=O)[C@H](O)CF)C1=CC(=O)[N-]O1	REAL250005047071	0	32	-1.0	-50.51	291.50	-3.56	-54.07
CN1C=NN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047072	0	34	-1.0	-51.32	306.26	-0.18	-51.50
O=C(NCCCNC(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005047073	0	33	-1.0	-48.29	293.23	-3.88	-52.17
O=C(CC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047074	0	35	-1.0	-48.87	305.34	-0.04	-48.91
CC(C)(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047075	0	34	-1.0	-47.31	300.07	-0.86	-48.17
CC(F)(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047076	0	31	-1.0	-45.76	286.25	-1.39	-47.15
COCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047077	0	32	-1.0	-51.98	287.12	-2.22	-54.20
O=C(NCCCNC(=O)C1=CC=CC=N1)C1=CC(=O)[N-]O1	REAL250005047078	0	34	-1.0	-49.40	306.99	-0.98	-50.38
O=C(NCCCNC(=O)C1=CC=NC=C1)C1=CC(=O)[N-]O1	REAL250005047079	0	34	-1.0	-50.00	304.97	-1.04	-51.04
CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047080	0	34	-1.0	-48.60	295.90	-0.82	-49.42
O=C(NCCCNC(=O)C1=CC=CN=C1)C1=CC(=O)[N-]O1	REAL250005047081	0	34	-1.0	-49.89	304.77	-1.05	-50.94
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL250005047082	0	32	-1.0	-49.12	294.01	-1.27	-50.39
CC(=O)NCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047083	0	35	-1.0	-50.57	313.08	-3.91	-54.48
O=C(NCCCNC(=O)C1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL250005047084	0	35	-1.0	-49.77	309.79	0.72	-49.05
CC(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047085	0	37	-1.0	-48.11	312.62	-0.23	-48.34
O=C(NCCCNC(=O)C1CCCCC1)C1=CC(=O)[N-]O1	REAL250005047086	0	41	-1.0	-48.11	335.57	0.98	-47.13
O=C(NCCCNC(=O)C1=CN=CC=N1)C1=CC(=O)[N-]O1	REAL250005047087	0	33	-1.0	-49.62	301.79	-2.87	-52.49
O=C(CC1CCCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047088	0	41	-1.0	-48.35	337.60	1.03	-47.32
O=C(NCCCNC(=O)C1=CC=CS1)C1=CC(=O)[N-]O1	REAL250005047089	0	32	-1.0	-48.64	301.93	-0.27	-48.91
CC1CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047090	0	35	-1.0	-48.48	306.29	-0.14	-48.62
CCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047091	0	35	-1.0	-51.95	308.97	-1.26	-53.21
CC(C)=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047092	0	35	-1.0	-47.87	303.88	-0.27	-48.14
O=C(NCCCNC(=O)C1=COCCO1)C1=CC(=O)[N-]O1	REAL250005047093	0	35	-1.0	-53.66	307.95	-1.64	-55.30
CC(=O)NC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047094	0	38	-1.0	-50.49	332.33	-3.06	-53.55
CC1=CC=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005047095	0	35	-1.0	-48.67	315.93	-0.44	-49.11
O=C(NCCCNC(=O)C1CCCO1)C1=CC(=O)[N-]O1	REAL250005047096	0	36	-1.0	-52.22	310.41	-1.01	-53.23
CSCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047097	0	32	-1.0	-51.00	297.46	-1.16	-52.16
CC1=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005047098	0	34	-1.0	-48.74	310.43	-1.20	-49.94
CSCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047099	0	35	-1.0	-47.98	319.13	-0.34	-48.32
CC(C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047100	0	40	-1.0	-48.45	334.96	0.47	-47.98
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=C1	REAL250005047101	0	32	-1.0	-49.69	301.12	-0.37	-50.06
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005047102	0	35	-1.0	-49.18	311.46	-0.50	-49.68
O=C(CC1C=CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047103	0	39	-1.0	-48.86	329.76	0.95	-47.91
O=C(CN1C=NN=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047104	0	33	-1.0	-63.60	303.20	-2.04	-65.64
CN1C=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL250005047105	0	35	-1.0	-51.53	314.83	-1.53	-53.06
O=C(NCCCNC(=O)C1CC=CCC1)C1=CC(=O)[N-]O1	REAL250005047106	0	39	-1.0	-48.03	327.84	0.87	-47.16
CC1=NOC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005047107	0	34	-1.0	-47.79	310.46	-1.25	-49.04
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=CN1	REAL250005047108	0	33	-1.0	-51.36	296.90	-1.48	-52.84
CC(=O)CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047109	0	39	-1.0	-57.25	340.60	-0.12	-57.37
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=COC=C1	REAL250005047110	0	32	-1.0	-52.34	293.18	-1.32	-53.66
O=C(CN1C=CC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047111	0	35	-1.0	-56.72	314.63	-1.17	-57.89
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005047112	0	35	-1.0	-48.86	311.91	-0.58	-49.44
CCCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047113	0	40	-1.0	-48.52	338.89	0.75	-47.77
CC(C)(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047114	0	40	-1.0	-47.22	327.59	0.30	-46.92
CN1C=CC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047115	0	36	-1.0	-49.47	315.28	0.15	-49.32
CCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047116	0	37	-1.0	-48.59	317.40	-0.04	-48.63
CC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047117	0	34	-1.0	-48.34	293.94	-0.91	-49.25
CCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047118	0	37	-1.0	-48.30	312.07	-0.26	-48.56
N#CCSCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047119	0	33	-1.0	-57.84	318.28	-0.52	-58.36
CC(=O)N(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047120	0	38	-1.0	-57.04	330.47	-1.62	-58.66
CCC(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047121	0	40	-1.0	-48.35	327.92	0.21	-48.14
CC(C)OCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047122	0	41	-1.0	-48.25	350.20	-0.80	-49.05
O=C(NCCCNC(=O)C1COCCO1)C1=CC(=O)[N-]O1	REAL250005047123	0	37	-1.0	-51.80	319.36	-2.20	-54.00
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=NN1	REAL250005047124	0	32	-1.0	-49.57	291.60	-2.80	-52.37
CSC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047125	0	35	-1.0	-50.88	315.91	-0.60	-51.48
CCOC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047126	0	38	-1.0	-51.76	328.76	-0.56	-52.32
CCOCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047127	0	41	-1.0	-51.17	351.42	-0.78	-51.95
O=C(COCC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047128	0	39	-1.0	-52.17	340.64	0.32	-51.85
O=C(CC1CCCO1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047129	0	39	-1.0	-52.09	330.50	-0.55	-52.64
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CNN=C1	REAL250005047130	0	32	-1.0	-50.75	291.89	-2.84	-53.59
COCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047131	0	38	-1.0	-51.25	329.57	-1.75	-53.00
CCOC1CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047132	0	39	-1.0	-47.89	340.49	-0.92	-48.81
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=NSN=C1	REAL250005047133	0	30	-1.0	-46.79	290.74	-3.32	-50.11
O=C(NCCCNC(=O)C1=CN=NS1)C1=CC(=O)[N-]O1	REAL250005047134	0	30	-1.0	-49.09	292.07	-2.67	-51.76
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=NOC=C1	REAL250005047135	0	31	-1.0	-49.71	288.49	-2.03	-51.74
CC(=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047136	0	39	-1.0	-47.49	331.98	1.17	-46.32
CC1=NNC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005047137	0	35	-1.0	-49.64	313.55	-2.23	-51.87
O=C(NCCCNC(=O)C1=CN=CS1)C1=CC(=O)[N-]O1	REAL250005047138	0	31	-1.0	-49.76	296.94	-2.13	-51.89
CCC=C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047139	0	38	-1.0	-48.68	323.10	0.47	-48.21
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005047140	0	34	-1.0	-49.10	306.79	-3.86	-52.96
CCOC(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047141	0	41	-1.0	-50.41	349.23	0.31	-50.10
O=C(CC(F)(F)F)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047142	0	31	-1.0	-51.97	291.81	-1.17	-53.14
COC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047143	0	35	-1.0	-51.65	306.10	-1.46	-53.11
CC(C)OCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047144	0	38	-1.0	-51.82	329.25	-0.53	-52.35
CCCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047145	0	38	-1.0	-51.74	330.47	-0.46	-52.20
O=C(NCCCNC(=O)C1CCOC1)C1=CC(=O)[N-]O1	REAL250005047146	0	36	-1.0	-50.16	308.42	-2.28	-52.44
CN1N=CC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047147	0	35	-1.0	-49.64	310.25	-1.55	-51.19
CCC(OC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047148	0	38	-1.0	-50.45	328.11	-0.68	-51.13
COCCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047149	0	41	-1.0	-49.46	351.07	-0.96	-50.42
CCCC(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047150	0	43	-1.0	-48.00	352.35	1.19	-46.81
COC(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047151	0	38	-1.0	-49.91	327.21	-0.97	-50.88
C=CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047152	0	35	-1.0	-48.47	308.71	-0.25	-48.72
O=C(NCCCNC(=O)C1=COCCC1)C1=CC(=O)[N-]O1	REAL250005047153	0	37	-1.0	-49.03	315.98	-0.98	-50.01
O=C(NCCCNC(=O)C1CCCOC1)C1=CC(=O)[N-]O1	REAL250005047154	0	39	-1.0	-48.31	326.61	-1.42	-49.73
CCOCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047155	0	38	-1.0	-48.34	329.93	-1.54	-49.88
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=N1	REAL250005047156	0	31	-1.0	-49.35	297.03	-2.28	-51.63
COCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047157	0	38	-1.0	-48.08	326.78	-1.79	-49.87
C=CCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047158	0	36	-1.0	-52.23	321.88	-0.68	-52.91
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=COC=N1	REAL250005047159	0	31	-1.0	-49.62	288.80	-4.68	-54.30
O=C(NCCCNC(=O)[C@H]1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047160	0	36	-1.0	-56.90	316.74	-3.70	-60.60
CC1=NC=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005047161	0	35	-1.0	-52.00	313.71	-1.90	-53.90
C[N@@H+]1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047162	0	41	0.0	-70.32	329.99	-0.31	-70.63
C[N@H+]1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047162	1	41	0.0	-70.43	330.01	-0.31	-70.74
CN1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047162	1	40	-1.0	-50.13	335.21	-2.13	-52.26
CCC(=O)NCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047163	0	38	-1.0	-50.26	333.37	-3.09	-53.35
CC(C)(C)C=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047164	0	41	-1.0	-48.21	345.89	0.82	-47.39
CC(C#N)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047165	0	32	-1.0	-55.73	293.37	-1.29	-57.02
CCCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047166	0	40	-1.0	-48.32	333.57	0.49	-47.83
CC(C)(C)C(=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047167	0	39	-1.0	-45.35	331.72	-0.51	-45.86
O=C(CCC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047168	0	38	-1.0	-48.69	327.51	0.75	-47.94
CCCCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047169	0	41	-1.0	-51.74	351.97	0.32	-51.42
O=C(CC1=NOC=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047170	0	34	-1.0	-55.83	308.63	-1.24	-57.07
O=C(CC1CCOC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047171	0	39	-1.0	-49.95	328.62	-1.54	-51.49
O=C(NCCCNC(=O)C1CC=CC1)C1=CC(=O)[N-]O1	REAL250005047172	0	36	-1.0	-48.37	309.94	0.18	-48.19
O=C(CC1=NNC=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047173	0	35	-1.0	-55.38	313.49	-2.15	-57.53
O=C(CC1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047174	0	38	-1.0	-48.72	322.30	0.48	-48.24
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005047175	0	34	-1.0	-49.58	306.77	-3.96	-53.54
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047176	0	38	-1.0	-48.64	323.25	0.54	-48.10
O=C(NCCCNC(=O)C1C2CCCC21)C1=CC(=O)[N-]O1	REAL250005047177	0	39	-1.0	-48.08	322.90	1.23	-46.85
O=C(CCC1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047178	0	41	-1.0	-48.45	344.13	1.27	-47.18
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C=CN1	REAL250005047179	0	36	-1.0	-50.51	315.25	-0.83	-51.34
CC=C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047180	0	35	-1.0	-48.85	302.71	-0.30	-49.15
CC1CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047181	0	38	-1.0	-48.20	320.86	0.29	-47.91
O=C(C=C1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047182	0	36	-1.0	-48.80	313.56	0.42	-48.38
CCC(=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005047183	0	41	-1.0	-47.10	344.16	1.21	-45.89
CC(C)=C(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047184	0	35	-1.0	-45.79	308.61	-0.21	-46.00
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CCCC1	REAL250005047185	0	36	-1.0	-48.56	310.98	0.29	-48.27
CN1C=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005047186	0	36	-1.0	-51.19	319.82	0.33	-50.86
CN1C=NC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005047187	0	35	-1.0	-51.91	315.35	-0.06	-51.97
O=C(NCCCNC(=O)C1CCCCO1)C1=CC(=O)[N-]O1	REAL250005047188	0	39	-1.0	-51.64	328.34	-0.21	-51.85
CC1(C)CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047189	0	38	-1.0	-47.74	321.51	0.41	-47.33
CCC(C)OCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047190	0	41	-1.0	-51.69	350.01	0.27	-51.42
CC1(C)C[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047191	0	38	-1.0	-47.74	321.52	0.41	-47.33
O=C(NCCCNC(=O)[C@@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005047192	0	36	-1.0	-52.40	310.62	-1.05	-53.45
C#CCCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047193	0	39	-1.0	-49.60	344.67	1.27	-48.33
CC(C)(C)OCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047194	0	41	-1.0	-51.63	343.28	-0.14	-51.77
CCNC(=O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047195	0	38	-1.0	-59.72	331.97	-1.69	-61.41
COC(C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047196	0	41	-1.0	-49.25	349.11	-0.97	-50.22
O=C(NCCCNC(=O)C1=CN=CN=C1)C1=CC(=O)[N-]O1	REAL250005047197	0	33	-1.0	-49.72	299.72	-1.23	-50.95
O=C(NCCCNC(=O)C1=CCOCC1)C1=CC(=O)[N-]O1	REAL250005047198	0	37	-1.0	-49.38	317.12	-1.46	-50.84
O=C(CC1=COC=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047199	0	35	-1.0	-51.63	315.15	-0.64	-52.27
CC1=NC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005047200	0	34	-1.0	-48.92	310.79	-3.94	-52.86
C[C@H](NC(N)=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047201	0	37	-1.0	-51.36	325.56	-5.83	-57.19
CC1=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005047202	0	35	-1.0	-52.14	315.08	-0.48	-52.62
CCC(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047203	0	40	-1.0	-48.10	330.85	0.43	-47.67
C#CCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047204	0	36	-1.0	-51.35	323.18	0.48	-50.87
C=CC(C)(O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047205	0	39	-1.0	-47.94	329.51	-1.64	-49.58
CC(C)(O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047206	0	38	-1.0	-48.14	318.85	-2.16	-50.30
COC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047207	0	39	-1.0	-49.98	336.14	0.29	-49.69
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)NC=C1	REAL250005047208	0	36	-1.0	-50.83	314.87	-0.80	-51.63
CN1N=NC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047209	0	34	-1.0	-50.51	304.94	-2.93	-53.44
O=C(NCCCNC(=O)C1COC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047210	0	34	-1.0	-58.68	306.78	-4.99	-63.67
CCCCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047211	0	43	-1.0	-48.24	355.07	1.27	-46.97
CC1(C)CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047212	0	41	-1.0	-48.16	341.42	0.79	-47.37
CC(C)[C@@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047213	0	38	-1.0	-48.74	321.57	-2.15	-50.89
CN1C=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005047214	0	34	-1.0	-51.05	310.86	-2.97	-54.02
CN1C=NC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005047215	0	34	-1.0	-55.43	310.29	-0.86	-56.29
O=C(NCCCNC(=O)C1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005047216	0	32	-1.0	-49.74	297.91	-0.65	-50.39
CCC(C)=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047217	0	38	-1.0	-47.46	325.55	0.49	-46.97
CC(C)C#CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047218	0	36	-1.0	-49.15	323.79	0.44	-48.71
O=C(CC1(O)CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047219	0	39	-1.0	-49.04	329.10	-1.42	-50.46
CC1=CNN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047220	0	35	-1.0	-50.87	311.05	-2.14	-53.01
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005047221	0	39	-1.0	-48.85	331.27	1.17	-47.68
O=C(C#CC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047222	0	34	-1.0	-49.26	313.47	0.62	-48.64
CC(C)(C)C#CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047223	0	39	-1.0	-48.94	343.93	0.98	-47.96
O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL250005047224	0	34	-1.0	-50.97	313.87	-0.46	-51.43
COCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047225	0	35	-1.0	-48.44	308.07	-2.51	-50.95
O=C(NCCCNC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005047226	0	32	-1.0	-48.57	284.91	-0.81	-49.38
O=C(NCCCNC(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005047227	0	35	-1.0	-48.48	301.13	-0.31	-48.79
O=C(NCCCNC(=O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005047228	0	38	-1.0	-48.29	317.43	0.31	-47.98
O=C(NCCCNC(=O)C1CCOCC1)C1=CC(=O)[N-]O1	REAL250005047229	0	39	-1.0	-49.85	326.70	-1.44	-51.29
CN1N=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005047230	0	34	-1.0	-49.37	310.37	-3.14	-52.51
CCC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005047231	0	43	0.0	-68.34	340.64	0.13	-68.21
CC1COC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047232	0	39	-1.0	-52.23	331.20	-0.42	-52.65
O=C(NCCCNC(=O)[C@]12C[C@H]1CCC2)C1=CC(=O)[N-]O1	REAL250005047233	0	39	-1.0	-48.55	329.50	1.00	-47.55
O=C(NCCCNC(=O)[C@@H]1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047234	0	36	-1.0	-56.51	316.70	-3.69	-60.20
CCC[N@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047235	0	43	0.0	-71.37	349.21	0.55	-70.82
CCC[N@@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047235	1	43	0.0	-71.37	349.21	0.54	-70.83
CC(C)(C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047236	0	43	-1.0	-48.35	351.13	0.87	-47.48
O=C(NCCCNC(=O)C1=CC=NC=N1)C1=CC(=O)[N-]O1	REAL250005047237	0	33	-1.0	-48.09	302.04	-1.19	-49.28
O=C(CC1=CC=CO1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047238	0	35	-1.0	-52.62	315.16	-0.46	-53.08
O=C(NCCCNC(=O)C1=NC=CC=N1)C1=CC(=O)[N-]O1	REAL250005047239	0	33	-1.0	-53.54	302.61	-1.80	-55.34
CCC(C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047240	0	43	-1.0	-48.42	353.19	1.13	-47.29
O=C(NCCCNC(=O)C1=CC=CN=N1)C1=CC(=O)[N-]O1	REAL250005047241	0	33	-1.0	-50.30	302.06	-2.14	-52.44
CC1OCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047242	0	39	-1.0	-50.60	324.96	-1.50	-52.10
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCOC1	REAL250005047243	0	39	-1.0	-48.44	326.87	-1.76	-50.20
CCC(CC)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047244	0	43	-1.0	-48.04	344.99	0.95	-47.09
CCC(C)C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047245	0	43	-1.0	-47.73	346.14	0.93	-46.80
CCCC(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047246	0	43	-1.0	-48.15	354.57	1.03	-47.12
CCC1(C)CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047247	0	41	-1.0	-47.68	338.59	1.05	-46.63
COCC(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047248	0	41	-1.0	-50.51	345.56	-1.12	-51.63
O=C(NCCCNC(=O)C1CCC(F)C1)C1=CC(=O)[N-]O1	REAL250005047249	0	38	-1.0	-48.19	323.91	0.38	-47.81
CC1(CCC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047250	0	41	-1.0	-48.61	343.86	1.11	-47.50
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005047251	0	34	-1.0	-47.49	307.01	-1.16	-48.65
CC[N@H+](C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047252	0	43	0.0	-73.05	350.08	0.36	-72.69
CC[N@@H+](C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047252	1	43	0.0	-73.08	350.08	0.35	-72.73
CC1=CON=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047253	0	34	-1.0	-49.34	307.32	-1.35	-50.69
O=C(CN1N=CN=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047254	0	33	-1.0	-56.87	304.72	-2.43	-59.30
CCCC[C@@H](C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047255	0	43	-1.0	-48.26	355.06	1.27	-46.99
CCC(C)(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047256	0	43	-1.0	-47.14	341.82	0.78	-46.36
CC(C)C(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047257	0	43	-1.0	-47.80	339.58	0.59	-47.21
C=CC(C)(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047258	0	41	-1.0	-46.97	336.25	0.69	-46.28
O=C(CN1N=CC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047259	0	34	-1.0	-55.78	310.02	-2.81	-58.59
C=CCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047260	0	38	-1.0	-49.01	330.21	0.53	-48.48
CCC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047261	0	40	-1.0	-48.41	327.05	0.15	-48.26
CCCC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047262	0	43	-1.0	-48.40	348.55	0.92	-47.48
NC(=O)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047263	0	36	-1.0	-48.75	321.96	-4.28	-53.03
NC(=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047264	0	29	-1.0	-47.42	269.74	-6.25	-53.67
CC1=NOC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047265	0	34	-1.0	-52.04	307.22	-1.23	-53.27
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC=CC1	REAL250005047266	0	39	-1.0	-48.72	328.35	0.74	-47.98
COC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005047267	0	41	-1.0	-50.31	345.77	-0.12	-50.43
CC1CC1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047268	0	38	-1.0	-48.85	326.71	0.63	-48.22
C=CC(C)(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047269	0	41	-1.0	-47.87	335.71	1.22	-46.65
O=C(C[C@H]1CCOC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047270	0	39	-1.0	-50.66	328.60	-1.53	-52.19
CCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047271	0	38	-1.0	-48.52	327.36	0.37	-48.15
CC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047272	0	37	-1.0	-48.31	312.83	-0.35	-48.66
O=C(CC1=NNC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047273	0	34	-1.0	-56.50	309.02	-1.74	-58.24
O=C(CC1=NN=CN1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047273	1	34	-1.0	-61.88	307.63	-1.20	-63.08
C=C(C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047274	0	38	-1.0	-48.20	330.35	0.42	-47.78
O=C(NCCCNC(=O)C1=CC=NS1)C1=CC(=O)[N-]O1	REAL250005047275	0	31	-1.0	-48.50	297.00	-1.64	-50.14
CC(F)(F)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047276	0	34	-1.0	-54.35	306.30	-0.62	-54.97
CCCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047277	0	41	-1.0	-48.47	348.88	1.15	-47.32
CCC[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047278	0	41	-1.0	-48.36	349.19	1.40	-46.96
CC(C)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047279	0	41	-1.0	-48.27	339.51	0.77	-47.50
C=C1CC(C)(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047280	0	39	-1.0	-48.03	332.39	0.75	-47.28
O=C(NCCCNC(=O)C1(CF)CC1)C1=CC(=O)[N-]O1	REAL250005047281	0	35	-1.0	-51.44	312.54	-0.16	-51.60
O=C(NCCCNC(=O)C1CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL250005047282	0	39	-1.0	-48.21	333.49	1.08	-47.13
CCCCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047283	0	43	-1.0	-48.63	360.39	1.53	-47.10
CC(C)C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047284	0	40	-1.0	-47.74	327.97	0.30	-47.44
CC1CCC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047285	0	41	-1.0	-48.38	338.06	0.91	-47.47
C#CCOCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047286	0	37	-1.0	-49.80	335.71	-1.00	-50.80
C#CCOC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047287	0	37	-1.0	-54.32	334.55	-0.01	-54.33
CC(C)(C(N)=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047288	0	38	-1.0	-59.53	324.42	-2.76	-62.29
O=C(NCCCNC(=O)C1(C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005047289	0	39	-1.0	-48.26	326.59	1.39	-46.87
COC1CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047290	0	39	-1.0	-48.01	334.51	-1.32	-49.33
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047291	0	36	-1.0	-54.39	320.67	-4.14	-58.53
CC[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005047292	0	43	0.0	-68.33	340.64	0.13	-68.20
O=C(NCCCNC(=O)C1(CF)CCC1)C1=CC(=O)[N-]O1	REAL250005047293	0	38	-1.0	-47.96	321.80	0.49	-47.47
CC[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047294	0	38	-1.0	-48.46	327.70	0.62	-47.84
CC(C)CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047295	0	43	-1.0	-48.46	356.46	1.25	-47.21
O=C(CN1C=NC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047296	0	34	-1.0	-58.86	309.37	0.26	-58.60
NC(=O)NCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047297	0	37	-1.0	-59.07	328.13	-6.06	-65.13
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=NSC=C1	REAL250005047298	0	31	-1.0	-48.39	296.27	-1.81	-50.20
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005047299	0	41	-1.0	-48.02	340.26	1.08	-46.94
CC1CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CO1	REAL250005047300	0	39	-1.0	-50.09	329.53	-1.44	-51.53
O=C(NCCCNC(=O)C1CC12CC2)C1=CC(=O)[N-]O1	REAL250005047301	0	36	-1.0	-48.84	317.36	0.66	-48.18
O=C(CC1=CNC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047302	0	35	-1.0	-56.47	312.93	-0.92	-57.39
O=C(CC1=CN=CN1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047302	1	35	-1.0	-55.42	313.78	-1.12	-56.54
C=CCC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047303	0	41	-1.0	-48.24	341.99	0.75	-47.49
O=C(NCCCNC(=O)C1CC12CCC2)C1=CC(=O)[N-]O1	REAL250005047304	0	39	-1.0	-48.31	332.22	1.12	-47.19
CC1=CNC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047305	0	36	-1.0	-53.76	315.76	-0.74	-54.50
CN1C=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005047306	0	35	-1.0	-51.84	315.41	-1.49	-53.33
O=C(NCCCNC(=O)C1(F)CCCC1)C1=CC(=O)[N-]O1	REAL250005047307	0	38	-1.0	-46.59	324.76	0.33	-46.26
CN1C=NC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047308	0	35	-1.0	-50.98	309.96	-0.15	-51.13
CN(C)C(=O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047309	0	38	-1.0	-59.99	327.85	-0.60	-60.59
O=C(NCCCNC(=O)[C@@H]1C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL250005047310	0	39	-1.0	-48.43	338.48	1.42	-47.01
COCCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047311	0	41	-1.0	-50.81	345.75	-1.21	-52.02
CCC(C)(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047312	0	43	-1.0	-48.44	342.99	0.63	-47.81
COCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047313	0	39	-1.0	-51.45	340.84	-1.27	-52.72
COCC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047314	0	41	-1.0	-47.96	344.43	-1.15	-49.11
O=C(NCCCNC(=O)[C@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005047315	0	36	-1.0	-52.36	310.65	-1.07	-53.43
O=C(CCC(F)F)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047316	0	34	-1.0	-50.92	308.56	-0.54	-51.46
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(F)=CN1	REAL250005047317	0	33	-1.0	-52.14	303.35	-1.42	-53.56
CC1(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047318	0	38	-1.0	-48.30	325.33	0.44	-47.86
O=C(NCCCNC(=O)C1(CCF)CC1)C1=CC(=O)[N-]O1	REAL250005047319	0	38	-1.0	-48.73	333.95	0.51	-48.22
O=C(NCCCNC(=O)[C@]12C[C@H]1COC2)C1=CC(=O)[N-]O1	REAL250005047320	0	37	-1.0	-50.09	320.82	-1.60	-51.69
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047321	0	35	-1.0	-48.38	302.67	-0.21	-48.59
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CNC=C1	REAL250005047322	0	33	-1.0	-54.37	297.03	-1.41	-55.78
CC(CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047323	0	41	-1.0	-47.85	342.29	1.23	-46.62
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CSN=N1	REAL250005047324	0	30	-1.0	-48.58	291.77	-2.91	-51.49
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005047325	0	41	-1.0	-48.30	335.73	0.83	-47.47
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=CO1	REAL250005047326	0	31	-1.0	-49.87	288.80	-4.57	-54.44
CNC(=O)NCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047327	0	37	-1.0	-51.60	327.93	-5.25	-56.85
C=CCCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047328	0	39	-1.0	-51.71	343.28	0.11	-51.60
C=CCOC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047329	0	39	-1.0	-52.06	341.67	0.02	-52.04
NC(=O)CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047330	0	38	-1.0	-59.48	333.58	-3.97	-63.45
CC1=NNC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047331	0	35	-1.0	-53.12	310.00	-2.24	-55.36
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005047332	0	34	-1.0	-50.01	304.68	-3.57	-53.58
CC1=NNN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047332	1	34	-1.0	-47.63	305.90	-3.65	-51.28
CCCC(OC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047333	0	41	-1.0	-50.28	349.61	0.10	-50.18
C=C(C)C(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047334	0	41	-1.0	-48.30	338.34	0.56	-47.74
CC(CC(N)=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047335	0	38	-1.0	-49.95	327.41	-4.14	-54.09
O=C(NCCCNC(=O)C1CCNC1=O)C1=CC(=O)[N-]O1	REAL250005047336	0	36	-1.0	-49.64	314.94	-3.99	-53.63
C=CC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047337	0	38	-1.0	-48.64	321.59	0.05	-48.59
C[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047338	0	41	0.0	-70.42	330.01	-0.32	-70.74
C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047338	1	41	0.0	-68.34	336.27	0.20	-68.14
CN1CCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047338	1	40	-1.0	-50.12	335.21	-2.13	-52.25
C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047339	0	35	-1.0	-48.52	306.29	-0.14	-48.66
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005047340	0	38	-1.0	-48.40	318.32	0.22	-48.18
CCC(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047341	0	34	-1.0	-49.29	302.17	-0.78	-50.07
O=C(CCCF)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047342	0	34	-1.0	-51.32	302.49	-0.68	-52.00
CC1=COC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047343	0	35	-1.0	-51.86	312.03	-0.62	-52.48
C[C@H]1C[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047344	0	35	-1.0	-48.45	306.30	-0.14	-48.59
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C=CCC1	REAL250005047345	0	39	-1.0	-48.18	328.67	0.73	-47.45
CN1N=NC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005047346	0	33	-1.0	-51.44	305.25	-3.58	-55.02
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005047347	0	35	-1.0	-52.32	309.71	-1.13	-53.45
CC(C)C(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047348	0	37	-1.0	-50.10	321.39	-0.28	-50.38
C=CC(C)C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047349	0	41	-1.0	-47.55	342.46	0.87	-46.68
CCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005047350	0	41	-1.0	-48.50	338.95	0.66	-47.84
CC#CCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047351	0	39	-1.0	-52.13	345.00	1.44	-50.69
O=C(NCCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1=CC(=O)[N-]O1	REAL250005047352	0	37	-1.0	-48.16	320.66	-1.43	-49.59
O=C(CCCC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047353	0	41	-1.0	-48.77	349.01	1.53	-47.24
CC1(C)CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047354	0	41	-1.0	-47.71	336.71	0.78	-46.93
CC1=COC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005047355	0	35	-1.0	-48.89	315.91	-0.58	-49.47
C=CC(CC)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047356	0	41	-1.0	-48.32	345.94	1.00	-47.32
CC(C)(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047357	0	41	-1.0	-48.77	335.98	0.89	-47.88
O=C(NCCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1=CC(=O)[N-]O1	REAL250005047358	0	39	-1.0	-48.39	328.83	1.03	-47.36
O=C(CC1=CON=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047359	0	34	-1.0	-53.63	309.39	-1.20	-54.83
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005047360	0	43	-1.0	-47.05	339.87	0.68	-46.37
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=NNN=C1	REAL250005047361	0	31	-1.0	-48.04	287.31	-4.25	-52.29
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=NN1	REAL250005047361	1	31	-1.0	-50.42	286.41	-4.18	-54.60
NC(=O)C=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047362	0	33	-1.0	-51.24	304.36	-4.93	-56.17
NC1=NNC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005047363	0	33	-1.0	-47.99	303.55	-2.66	-50.65
COC(=O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047364	0	34	-1.0	-56.53	306.34	-0.61	-57.14
C#CCSCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047365	0	34	-1.0	-53.13	324.70	0.26	-52.87
CSC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047366	0	33	-1.0	-48.23	310.02	-0.67	-48.90
O=C(NCCCNC(=O)C1(CO)CCC1)C1=CC(=O)[N-]O1	REAL250005047367	0	39	-1.0	-49.17	326.16	-2.48	-51.65
NC(=O)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047368	0	35	-1.0	-50.79	312.08	-4.75	-55.54
C=CCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047369	0	39	-1.0	-48.69	339.97	0.98	-47.71
O=C(COC(F)F)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047370	0	32	-1.0	-51.22	298.72	-1.87	-53.09
O=C(NCCCNC(=O)C1=CCCS1)C1=CC(=O)[N-]O1	REAL250005047371	0	34	-1.0	-48.66	311.50	-0.04	-48.70
CC1=NOC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047372	0	36	-1.0	-57.10	319.77	-0.93	-58.03
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C(=O)NC1CC1	REAL250005047373	0	36	-1.0	-46.96	323.28	-3.05	-50.01
NC1=NNC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005047374	0	34	-1.0	-50.08	307.73	-4.08	-54.16
O=C(NCCCNC(=O)C1CCSC1)C1=CC(=O)[N-]O1	REAL250005047375	0	36	-1.0	-48.58	316.93	0.03	-48.55
O=C(NCCCNC(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005047376	0	33	-1.0	-52.87	293.29	-2.04	-54.91
CCCC(O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047377	0	41	-1.0	-51.84	348.07	-1.66	-53.50
CC(C)(CC#N)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047378	0	38	-1.0	-49.06	329.87	-0.16	-49.22
O=C(NCCCNC(=O)C1(Cl)CC1)C1=CC(=O)[N-]O1	REAL250005047379	0	32	-1.0	-46.17	300.39	-0.28	-46.45
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CCCO1	REAL250005047380	0	34	-1.0	-47.80	302.50	-1.70	-49.50
O=C(NCCCNC(=O)C1(CO)COC1)C1=CC(=O)[N-]O1	REAL250005047381	0	37	-1.0	-51.90	317.97	-5.18	-57.08
CC(C)=CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047382	0	41	-1.0	-48.24	347.35	1.15	-47.09
O=C(NCCCNC(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005047383	0	33	-1.0	-49.31	291.75	-3.08	-52.39
CC1CCC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005047384	0	39	-1.0	-52.31	331.74	-0.21	-52.52
NC1=CNN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047385	0	34	-1.0	-50.06	304.99	-4.77	-54.83
NC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)NN=C1	REAL250005047385	1	34	-1.0	-49.20	303.85	-4.74	-53.94
O=C(C=CCO)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047386	0	33	-1.0	-52.05	299.07	-4.33	-56.38
CC1=NNC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005047387	0	34	-1.0	-47.49	309.41	-2.28	-49.77
CC1=NN=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005047387	1	34	-1.0	-50.54	309.62	-2.02	-52.56
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)N1	REAL250005047388	0	32	-1.0	-55.25	297.54	-4.20	-59.45
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL250005047388	1	31	-2.0	-86.13	295.41	-5.87	-92.00
CC=CC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047389	0	36	-1.0	-48.82	320.11	-2.31	-51.13
CCCC[C@H](C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047390	0	43	-1.0	-48.24	355.07	1.27	-46.97
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005047391	0	40	0.0	-69.88	328.09	-0.47	-70.35
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005047391	1	39	-1.0	-48.93	320.36	-2.82	-51.75
CCC=C(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047392	0	35	-1.0	-46.03	313.24	-0.17	-46.20
CCC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047393	0	35	-1.0	-48.56	309.06	-0.21	-48.77
O=C(NCCCNC(=O)C1CNC(=O)C1)C1=CC(=O)[N-]O1	REAL250005047394	0	36	-1.0	-54.73	314.93	-4.01	-58.74
NC1=NON=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047395	0	32	-1.0	-45.87	296.84	-3.57	-49.44
O=C(NCCCNC(=O)[C@@H]1CNC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047396	0	35	-1.0	-58.38	310.60	-6.15	-64.53
O=C(NCCCNC(=O)C1=CN=CS1)C1=CC(=O)[N-]O1	REAL250005047397	0	31	-1.0	-49.76	296.94	-2.13	-51.89
[N-]=[N+]=NCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047398	0	33	-1.0	-47.97	304.54	-4.97	-52.94
C#CCOCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047399	0	34	-1.0	-54.73	314.76	-0.72	-55.45
O=C(CC1=NN=CO1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047400	0	33	-1.0	-57.84	304.53	-6.43	-64.27
O=C(NCCCNC(=O)C1CCCS1)C1=CC(=O)[N-]O1	REAL250005047401	0	36	-1.0	-49.29	318.82	0.04	-49.25
COC(C)(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047402	0	41	-1.0	-50.25	336.94	-0.33	-50.58
CC(O)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047403	0	38	-1.0	-49.91	327.74	-3.32	-53.23
O=C(CN1C=CC=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047404	0	36	-1.0	-53.02	320.57	0.75	-52.27
C#CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047405	0	33	-1.0	-48.70	301.68	-0.30	-49.00
CC(=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005047406	0	41	-1.0	-47.41	342.37	0.98	-46.43
COC1(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047407	0	39	-1.0	-51.39	335.89	-1.31	-52.70
CC[C@H](C)[C@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047408	0	41	-1.0	-48.46	337.82	-1.07	-49.53
CC=CC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047409	0	36	-1.0	-48.75	323.14	0.46	-48.29
CN1N=CN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047410	0	34	-1.0	-47.67	305.87	-0.84	-48.51
O=C(NCCCNC(=O)[C@@H]1CC[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005047411	0	39	-1.0	-50.17	329.08	-3.02	-53.19
O=C(NCCCNC(=O)[C@@H]1CC=CCC1)C1=CC(=O)[N-]O1	REAL250005047412	0	39	-1.0	-48.02	327.93	0.87	-47.15
COCC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047413	0	36	-1.0	-50.71	321.32	-1.93	-52.64
O=C(NCCCNC(=O)C1CC2CC2C1)C1=CC(=O)[N-]O1	REAL250005047414	0	39	-1.0	-48.08	326.82	0.96	-47.12
CC1CN(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047415	0	40	-1.0	-50.61	337.89	-2.66	-53.27
CC1C[NH+](CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047415	1	41	0.0	-71.45	341.25	0.23	-71.22
CCC(C)(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047416	0	38	-1.0	-47.08	321.50	-3.48	-50.56
C#CCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047417	0	36	-1.0	-48.29	319.55	0.27	-48.02
C=CC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047418	0	33	-1.0	-49.09	298.40	-3.17	-52.26
[N-]=[N+]=NCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047419	0	36	-1.0	-51.39	326.03	-4.16	-55.55
CC1(C)COC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047420	0	39	-1.0	-52.31	331.27	-0.75	-53.06
O=C(NCCCNC(=O)C12CC1CC2)C1=CC(=O)[N-]O1	REAL250005047421	0	36	-1.0	-48.59	313.33	0.39	-48.20
CCCC(C)=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047422	0	41	-1.0	-47.34	347.05	1.26	-46.08
C=C[C@H](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047423	0	38	-1.0	-47.96	325.41	0.30	-47.66
O=C(C=CC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047424	0	36	-1.0	-48.55	319.95	0.60	-47.95
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005047425	0	34	-1.0	-48.81	306.73	-1.04	-49.85
CC(C)CC(=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047426	0	39	-1.0	-45.74	335.69	-0.27	-46.01
CC1CC1(C#N)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047427	0	36	-1.0	-47.86	324.18	0.02	-47.84
CCC(C#N)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047428	0	35	-1.0	-49.86	314.00	-0.64	-50.50
O=C(NCCCNC(=O)[C@@H]1CNC(=O)O1)C1=CC(=O)[N-]O1	REAL250005047429	0	34	-1.0	-61.44	306.81	-4.52	-65.96
O=C(NCCCNC(=O)C1C2CCC21)C1=CC(=O)[N-]O1	REAL250005047430	0	36	-1.0	-48.50	307.61	0.52	-47.98
C=C1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047431	0	36	-1.0	-47.80	313.95	0.17	-47.63
C[C@H]1C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005047432	0	38	-1.0	-48.41	322.79	0.41	-48.00
CC[N@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047433	0	40	0.0	-70.98	327.72	-0.20	-71.18
CC[N@@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047433	1	40	0.0	-71.02	327.71	-0.20	-71.22
CCN(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047433	1	39	-1.0	-48.97	325.87	-2.46	-51.43
O=C(NCCCNC(=O)C1CC2(C1)N=N2)C1=CC(=O)[N-]O1	REAL250005047434	0	35	-1.0	-48.99	314.03	-5.32	-54.31
CC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047435	0	32	-1.0	-49.58	285.19	-3.71	-53.29
CC(=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047436	0	30	-1.0	-46.46	276.66	-2.45	-48.91
NC1=NNC=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047437	0	34	-1.0	-53.54	303.81	-3.79	-57.33
CC(NC(N)=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047438	0	37	-1.0	-51.37	325.56	-5.83	-57.20
CCOC(=O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047439	0	37	-1.0	-56.27	328.21	0.31	-55.96
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL250005047440	0	32	-2.0	-85.94	300.23	-4.89	-90.83
CC1=CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005047441	0	36	-1.0	-54.13	318.94	-0.84	-54.97
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005047442	0	39	-1.0	-48.00	327.96	0.99	-47.01
N#CCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047443	0	35	-1.0	-56.95	316.75	-0.30	-57.25
N#CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047444	0	33	-1.0	-48.20	304.18	-0.57	-48.77
C=C1CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047445	0	36	-1.0	-48.19	314.64	0.20	-47.99
O=C(NCCCNC(=O)[C@]12C[C@H]1[C@H](O)C2)C1=CC(=O)[N-]O1	REAL250005047446	0	37	-1.0	-52.75	324.77	-3.01	-55.76
O=C(NCCCNC(=O)C12CC(C1)CO2)C1=CC(=O)[N-]O1	REAL250005047447	0	37	-1.0	-47.60	317.99	-1.60	-49.20
CCC=CC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047448	0	39	-1.0	-48.60	344.23	1.22	-47.38
CN(CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(N)=O	REAL250005047449	0	37	-1.0	-56.85	324.46	-4.09	-60.94
O=C(NCCCNC(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL250005047450	0	31	-2.0	-86.15	294.83	-6.18	-92.33
O=C(NCCCNC(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005047451	0	32	-1.0	-46.48	291.11	-0.76	-47.24
CC(O)(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047452	0	39	-1.0	-47.25	330.53	-2.45	-49.70
CC1=NC=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005047453	0	34	-1.0	-49.15	310.79	-3.83	-52.98
COC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047454	0	38	-1.0	-52.02	318.85	-1.03	-53.05
CC(CC#N)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047455	0	35	-1.0	-49.79	313.12	-0.54	-50.33
CCC1CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047456	0	38	-1.0	-48.43	327.70	0.62	-47.81
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)O	REAL250005047457	0	41	-1.0	-51.04	333.66	-2.09	-53.13
O=C(NCCCNC(=O)C1COC(=O)O1)C1=CC(=O)[N-]O1	REAL250005047458	0	33	-1.0	-60.27	302.98	-1.17	-61.44
O=C(NCCCNC(=O)C12CC(C1)OC2)C1=CC(=O)[N-]O1	REAL250005047459	0	37	-1.0	-48.81	318.77	-1.81	-50.62
CC(O)C1CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047460	0	39	-1.0	-50.18	330.87	-1.22	-51.40
C[C@@H]1C[C@@]2(C(=O)NCCCNC(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005047461	0	39	-1.0	-48.68	334.35	1.03	-47.65
O=C(CN1C=NC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047462	0	34	-1.0	-58.86	309.37	0.26	-58.60
CC(C[NH+](C)C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047463	0	43	0.0	-72.80	348.39	0.41	-72.39
C=CC(C)(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047464	0	36	-1.0	-47.46	315.06	-3.41	-50.87
CCC(C)(CO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047465	0	41	-1.0	-48.23	338.12	-3.05	-51.28
C[NH+](C)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047466	0	41	0.0	-74.32	333.75	0.16	-74.16
CN(C)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047466	1	40	-1.0	-47.57	334.68	-2.57	-50.14
CCCC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047467	0	38	-1.0	-48.41	330.56	0.57	-47.84
CC=C(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047468	0	32	-1.0	-46.21	292.94	-0.91	-47.12
CCC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005047469	0	43	-1.0	-48.20	350.96	0.99	-47.21
C[C@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005047470	0	40	0.0	-69.75	328.12	-0.45	-70.20
C[C@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005047470	1	39	-1.0	-48.76	319.59	-2.90	-51.66
CC(C)C(CO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047471	0	41	-1.0	-47.81	336.32	-2.58	-50.39
CCOC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047472	0	36	-1.0	-48.32	321.04	-1.35	-49.67
CCN1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047473	0	40	-1.0	-50.79	337.98	-2.75	-53.54
CC[N@@H+]1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047473	1	41	0.0	-69.03	334.78	-0.14	-69.17
CC[N@H+]1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047473	1	41	0.0	-70.34	341.62	0.15	-70.19
CCC(C)=C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047474	0	41	-1.0	-47.57	337.90	1.07	-46.50
COC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005047475	0	39	-1.0	-46.50	329.31	-1.43	-47.93
C=CCCC(=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047476	0	37	-1.0	-45.88	331.76	-0.30	-46.18
CC(O)CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047477	0	41	-1.0	-51.23	349.24	-2.55	-53.78
CC(=O)OCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047478	0	34	-1.0	-51.89	310.47	-0.63	-52.52
CC(=O)NCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047479	0	38	-1.0	-58.43	334.90	-3.26	-61.69
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)N1	REAL250005047480	0	33	-1.0	-57.61	301.42	-4.65	-62.26
C[NH+](C)C(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047481	0	43	0.0	-73.93	337.45	0.31	-73.62
O=C(NCCCNC(=O)C(F)(F)CO)C1=CC(=O)[N-]O1	REAL250005047482	0	32	-1.0	-48.86	295.77	-3.35	-52.21
CC1(C#CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047483	0	37	-1.0	-49.27	334.41	1.12	-48.15
CC(=O)C=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047484	0	34	-1.0	-49.62	311.35	-1.08	-50.70
O=C(COC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047485	0	36	-1.0	-52.74	319.34	-0.48	-53.22
O=C(NCCCNC(=O)C1=NC=CN1)C1=CC(=O)[N-]O1	REAL250005047486	0	32	-1.0	-49.66	292.85	-2.55	-52.21
O=C(C=CC1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047487	0	39	-1.0	-48.37	336.38	1.13	-47.24
O=C(NCCCNC(=O)C1=NN=CS1)C1=CC(=O)[N-]O1	REAL250005047488	0	30	-1.0	-49.22	292.96	-3.23	-52.45
O=C(NCCCNC(=O)C1CC(=O)CO1)C1=CC(=O)[N-]O1	REAL250005047489	0	35	-1.0	-53.24	313.49	-1.97	-55.21
CC(C)NC(=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047490	0	38	-1.0	-47.06	333.79	-3.10	-50.16
CC1=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005047491	0	37	-1.0	-48.29	317.99	-0.92	-49.21
CN1C=CN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047492	0	35	-1.0	-49.65	311.12	-0.81	-50.46
CC(CO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047493	0	35	-1.0	-48.48	304.53	-4.20	-52.68
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CON=C1	REAL250005047494	0	31	-1.0	-49.52	288.12	-1.87	-51.39
O=C(CCCCO)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047495	0	38	-1.0	-49.95	328.82	-3.37	-53.32
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005047496	0	34	-1.0	-46.28	307.73	-0.86	-47.14
O=C(NCCCNC(=O)[C@@H]1COC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047497	0	34	-1.0	-58.70	306.79	-4.99	-63.69
O=C(CC1(O)CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047498	0	36	-1.0	-52.52	316.34	-3.57	-56.09
O=C(NCCCNC(=O)C1CCC1F)C1=CC(=O)[N-]O1	REAL250005047499	0	35	-1.0	-49.52	307.78	-0.22	-49.74
O=C(NCCCNC(=O)C(F)C1CCC1)C1=CC(=O)[N-]O1	REAL250005047500	0	38	-1.0	-49.00	327.22	0.47	-48.53
CC1(C)CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005047501	0	39	-1.0	-52.80	334.86	-0.66	-53.46
O=C(NCCCNC(=O)[C@@H]1C[C@H]1CF)C1=CC(=O)[N-]O1	REAL250005047502	0	35	-1.0	-51.00	312.88	-0.02	-51.02
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C(F)=C1CCC1	REAL250005047503	0	36	-1.0	-46.56	319.18	0.50	-46.06
CCC(CO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047504	0	38	-1.0	-48.00	320.71	-3.15	-51.15
O=C(CC(O)C1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047505	0	39	-1.0	-51.80	337.36	-1.70	-53.50
CC(=CC1CC1)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047506	0	39	-1.0	-48.69	333.63	1.23	-47.46
N#C[C@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047507	0	33	-1.0	-58.96	301.88	-0.51	-59.47
O=C(CC1=CN=CO1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047508	0	34	-1.0	-54.86	309.83	-3.75	-58.61
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=COCC1	REAL250005047509	0	34	-1.0	-49.12	301.09	-1.74	-50.86
CC(C)(O)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047510	0	41	-1.0	-48.57	344.29	-2.79	-51.36
CC1=CC=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005047511	0	36	-1.0	-50.57	318.81	-0.92	-51.49
O=C(NCCCNC(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005047512	0	33	-1.0	-48.29	293.23	-3.88	-52.17
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005047513	0	33	-1.0	-49.33	295.40	-0.24	-49.57
CC1CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005047514	0	36	-1.0	-47.20	319.52	-1.98	-49.18
CC(CF)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047515	0	34	-1.0	-47.48	299.74	-0.79	-48.27
CC(Cl)=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047516	0	32	-1.0	-49.92	300.29	-0.45	-50.37
CC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047517	0	32	-1.0	-48.72	287.97	-0.97	-49.69
CCC(F)(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047518	0	34	-1.0	-45.56	306.15	-0.67	-46.23
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005047519	0	35	-1.0	-47.73	308.87	-0.13	-47.86
O=C(NCCCNC(=O)[C@@H]1CCC(=O)O1)C1=CC(=O)[N-]O1	REAL250005047520	0	35	-1.0	-60.38	312.72	-0.33	-60.71
O=C(C=CCF)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047521	0	32	-1.0	-50.73	294.15	-0.86	-51.59
O=C(NCCCNC(=O)C(F)CC1CC1)C1=CC(=O)[N-]O1	REAL250005047522	0	38	-1.0	-48.95	333.75	0.77	-48.18
O=C(NCCCNC(=O)[C@H]1COC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047523	0	34	-1.0	-58.74	306.83	-5.00	-63.74
N#CCCCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047524	0	38	-1.0	-52.85	338.25	0.48	-52.37
O=C(NCCCNC(=O)C1(CO)CC1)C1=CC(=O)[N-]O1	REAL250005047525	0	36	-1.0	-52.17	317.34	-3.65	-55.82
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=NO1	REAL250005047526	0	31	-1.0	-47.82	288.50	-1.85	-49.67
O=C(NCCCNC(=O)C1CCC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047528	0	36	-1.0	-56.49	316.70	-3.69	-60.18
C[C@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047529	0	32	-1.0	-53.02	284.74	-3.69	-56.71
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=C(F)O1	REAL250005047530	0	32	-1.0	-46.47	300.44	-1.16	-47.63
CON=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047531	0	32	-1.0	-51.47	296.86	-3.01	-54.48
C#CCC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047532	0	39	-1.0	-48.17	336.29	0.73	-47.44
CC1(F)CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047533	0	38	-1.0	-47.66	328.63	0.39	-47.27
CCC(C)(OC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047534	0	41	-1.0	-51.84	337.38	-0.37	-52.21
CC(C)[C@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047535	0	38	-1.0	-48.53	320.01	-1.71	-50.24
C#CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047536	0	34	-1.0	-47.68	310.61	0.26	-47.42
O=C(NCCCNC(=O)[C@H]1CCC(=O)O1)C1=CC(=O)[N-]O1	REAL250005047537	0	35	-1.0	-59.76	312.90	-0.26	-60.02
C=CC=CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047538	0	36	-1.0	-49.39	322.56	0.39	-49.00
C#CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005047539	0	37	-1.0	-47.80	326.42	0.69	-47.11
C[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047540	0	41	0.0	-67.70	335.68	0.10	-67.60
C[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047540	1	41	0.0	-70.40	329.95	-0.31	-70.71
CN1CCC[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047540	1	40	-1.0	-47.78	327.39	-2.77	-50.55
O=C(NCCCNC(=O)C1CC=CCO1)C1=CC(=O)[N-]O1	REAL250005047541	0	37	-1.0	-51.65	320.46	-0.34	-51.99
CC1(C)C=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047542	0	39	-1.0	-48.60	337.20	0.91	-47.69
C#C[C@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047543	0	34	-1.0	-51.37	307.78	0.35	-51.02
[N-]=[N+]=NC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047544	0	34	-1.0	-45.72	308.12	-3.73	-49.45
CCC(CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)OC	REAL250005047545	0	41	-1.0	-49.41	343.10	-0.34	-49.75
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CSC=N1	REAL250005047546	0	31	-1.0	-49.35	297.03	-2.28	-51.63
CC=C(CC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047547	0	38	-1.0	-48.43	323.75	0.41	-48.02
O=C(CC12CC(C1)C2)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047548	0	39	-1.0	-49.16	328.17	1.12	-48.04
CCC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005047549	0	41	-1.0	-50.40	340.62	-2.84	-53.24
COC(F)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047550	0	32	-1.0	-51.97	293.02	-2.74	-54.71
N#CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005047551	0	36	-1.0	-48.30	319.80	-0.15	-48.45
O=C(C=C1CCCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047552	0	39	-1.0	-48.36	329.82	1.03	-47.33
CC(C)(C#N)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047553	0	38	-1.0	-48.47	326.88	-0.09	-48.56
COCC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047554	0	36	-1.0	-50.02	318.54	-4.40	-54.42
O=C(NCCCNC(=O)[C@@H]1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005047555	0	32	-1.0	-49.73	297.91	-0.65	-50.38
N#C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047556	0	33	-1.0	-50.66	305.91	-0.39	-51.05
C=C(C)CCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047557	0	41	-1.0	-49.13	351.56	1.18	-47.95
O=C(NCCCNC(=O)[C@H]1C[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005047558	0	36	-1.0	-52.26	312.57	-3.72	-55.98
CC1(C)CC1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047559	0	41	-1.0	-48.75	345.36	1.10	-47.65
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=C(Cl)CC1	REAL250005047560	0	33	-1.0	-51.22	312.46	0.26	-50.96
O=C(NCCCNC(=O)[C@]12C[C@H]1[C@H](F)C2)C1=CC(=O)[N-]O1	REAL250005047561	0	36	-1.0	-51.39	319.98	0.47	-50.92
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)O1	REAL250005047562	0	32	-1.0	-51.58	298.70	-4.00	-55.58
CC(C)[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047563	0	41	-1.0	-48.36	346.76	1.18	-47.18
O=C(COCCO)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047564	0	36	-1.0	-55.20	320.35	-4.39	-59.59
CC(C)(CF)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047565	0	37	-1.0	-47.24	317.83	-0.26	-47.50
CC(C)[C@@H](O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047566	0	41	-1.0	-51.73	343.24	-1.93	-53.66
CC(C)(CO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047567	0	38	-1.0	-48.38	322.18	-3.55	-51.93
C=CCC(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047568	0	38	-1.0	-48.13	326.57	0.33	-47.80
CC1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047569	0	41	-1.0	-48.23	338.17	0.93	-47.30
O=C(NCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C1=CC(=O)[N-]O1	REAL250005047570	0	39	-1.0	-48.58	327.67	0.93	-47.65
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC(F)C1	REAL250005047571	0	38	-1.0	-48.42	325.78	0.33	-48.09
C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047572	0	35	-1.0	-48.52	306.29	-0.14	-48.66
CC(C)(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047573	0	35	-1.0	-47.21	304.88	-4.15	-51.36
CSC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047574	0	36	-1.0	-46.60	328.19	0.24	-46.36
O=C(NCCCNC(=O)C1=NOCC1)C1=CC(=O)[N-]O1	REAL250005047575	0	33	-1.0	-47.48	298.44	-2.74	-50.22
CC(C#N)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047576	0	35	-1.0	-49.60	311.94	-0.55	-50.15
C[N@H+](CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047577	0	41	0.0	-68.43	339.25	0.54	-67.89
C[N@@H+](CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047577	1	41	0.0	-68.92	339.38	0.54	-68.38
CN(CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047577	1	40	-1.0	-49.16	333.27	-1.86	-51.02
O=C(CCOC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047578	0	39	-1.0	-48.51	340.29	-0.77	-49.28
O=C(CCCCCO)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047579	0	41	-1.0	-51.74	350.31	-2.60	-54.34
CC(CCO)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047580	0	38	-1.0	-52.06	323.49	-3.62	-55.68
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C(F)=CC1CC1	REAL250005047581	0	36	-1.0	-46.07	324.49	0.65	-45.42
O=C(CC1CC(F)C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047582	0	38	-1.0	-51.95	328.91	0.55	-51.40
O=C(NCCCNC(=O)[C@H](O)CF)C1=CC(=O)[N-]O1	REAL250005047583	0	32	-1.0	-50.51	291.50	-3.56	-54.07
O=C(NCCCNC(=O)C1(CCO)CC1)C1=CC(=O)[N-]O1	REAL250005047584	0	39	-1.0	-49.11	338.79	-2.97	-52.08
CC(C)C(C)(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047585	0	41	-1.0	-46.85	336.39	-2.72	-49.57
O=C(NCCCNC(=O)C1(O)CCC1)C1=CC(=O)[N-]O1	REAL250005047586	0	36	-1.0	-48.47	307.68	-3.38	-51.85
O=C(NCCCNC(=O)C(O)C1CC1)C1=CC(=O)[N-]O1	REAL250005047587	0	36	-1.0	-48.71	317.18	-2.17	-50.88
O=C(CN1C=NN=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047588	0	34	-1.0	-60.36	309.89	1.18	-59.18
C=C(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047589	0	35	-1.0	-48.61	308.95	-0.38	-48.99
CC(C)(C#N)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047590	0	35	-1.0	-55.07	312.23	-0.78	-55.85
CCSCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047591	0	35	-1.0	-50.92	318.93	-0.26	-51.18
CC(=O)OCCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047592	0	37	-1.0	-54.33	331.41	-0.61	-54.94
CC(C)=C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047593	0	38	-1.0	-47.89	318.88	0.42	-47.47
CC1(CCC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL250005047594	0	37	-1.0	-47.28	328.06	-4.95	-52.23
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL250005047595	0	31	-2.0	-90.21	294.98	-4.41	-94.62
O=C(COC1COC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047596	0	37	-1.0	-53.24	326.78	-2.68	-55.92
C[C@@H]1C[C@]2(C(=O)NCCCNC(=O)C3=CC(=O)[N-]O3)C[C@H]12	REAL250005047597	0	39	-1.0	-48.39	333.04	0.98	-47.41
CNC(=O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047598	0	35	-1.0	-60.21	310.49	-2.53	-62.74
CN1C=NN=C1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047599	0	34	-1.0	-51.32	306.26	-0.18	-51.50
C[C@@H]1OCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047600	0	39	-1.0	-50.53	325.03	-1.56	-52.09
O=C(NCCCNC(=O)C1CC(F)C1)C1=CC(=O)[N-]O1	REAL250005047601	0	35	-1.0	-51.05	307.77	-0.21	-51.26
CCC(O)C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047602	0	41	-1.0	-51.22	339.37	-1.47	-52.69
O=C(CC1CC(=O)N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047603	0	36	-1.0	-54.60	319.75	-4.26	-58.86
O=C(NCCCNC(=O)C(O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005047604	0	39	-1.0	-48.70	328.88	-1.31	-50.01
C[NH+]1CC(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047605	0	41	0.0	-72.66	341.43	-0.04	-72.70
CC1(O)CC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047606	0	39	-1.0	-51.87	332.05	-3.13	-55.00
C=CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047607	0	32	-1.0	-48.95	287.31	-1.04	-49.99
C[NH+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047608	0	37	0.0	-71.73	309.98	-0.87	-72.60
CN(C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047608	1	36	-1.0	-49.15	307.90	-3.25	-52.40
N#CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047609	0	29	-1.0	-57.67	273.86	-1.91	-59.58
O=C(NCCCNC(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005047610	0	32	-1.0	-52.25	291.12	-0.74	-52.99
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005047611	0	40	0.0	-69.88	328.09	-0.47	-70.35
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005047611	1	39	-1.0	-48.93	320.36	-2.82	-51.75
O=C(CCF)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047612	0	31	-1.0	-48.04	280.99	-1.44	-49.48
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC(F)=NN1	REAL250005047613	0	32	-1.0	-49.20	298.72	-2.99	-52.19
O=C(NCCCNC(=O)C1C=CCC1)C1=CC(=O)[N-]O1	REAL250005047614	0	36	-1.0	-48.12	309.96	0.22	-47.90
CCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005047615	0	39	-1.0	-47.84	327.29	-1.58	-49.42
C#CC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047616	0	36	-1.0	-51.04	318.65	0.10	-50.94
O=C(NCCCNC(=O)[C@H]1CNC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047617	0	35	-1.0	-58.32	310.64	-6.15	-64.47
CC1CCN1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047618	0	40	-1.0	-50.49	338.22	-2.67	-53.16
CC1CC[N@@H+]1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047618	1	41	0.0	-69.23	335.77	-0.04	-69.27
CC1CC[N@H+]1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047618	1	41	0.0	-70.21	341.32	0.20	-70.01
C[NH+](C)CC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047619	0	41	0.0	-76.12	347.21	0.39	-75.73
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CCSC1	REAL250005047620	0	34	-1.0	-48.63	310.01	0.00	-48.63
CO[C@H](C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047621	0	35	-1.0	-51.71	306.90	-1.52	-53.23
CC(=O)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047622	0	36	-1.0	-49.25	319.10	-0.90	-50.15
O=C(NCCCNC(=O)C1CCCC1O)C1=CC(=O)[N-]O1	REAL250005047623	0	39	-1.0	-51.40	327.70	-2.90	-54.30
C[C@@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047624	0	32	-1.0	-49.58	285.19	-3.71	-53.29
CC[NH+](CC)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047625	0	43	0.0	-69.65	341.57	0.22	-69.43
O=C(CN1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047626	0	37	-1.0	-50.10	315.76	-3.66	-53.76
O=C(C[NH+]1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047626	1	38	0.0	-71.60	320.08	-0.44	-72.04
CC(C)C(O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047627	0	41	-1.0	-51.45	341.00	-1.70	-53.15
O=C(NCCCNC(=O)C1COC(=O)C1)C1=CC(=O)[N-]O1	REAL250005047628	0	35	-1.0	-54.04	310.56	-1.18	-55.22
CC(O)C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047629	0	38	-1.0	-50.16	319.41	-2.42	-52.58
O=C(NCCCNC(=O)C1(O)CCOC1)C1=CC(=O)[N-]O1	REAL250005047630	0	37	-1.0	-50.48	316.60	-5.35	-55.83
CCC(C)(C#N)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047631	0	38	-1.0	-48.97	328.99	-0.29	-49.26
C=C1CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047632	0	33	-1.0	-48.63	298.48	-0.24	-48.87
O=C(CC1CC=CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047633	0	39	-1.0	-48.94	330.44	0.93	-48.01
O=C(CC1OCCO1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047634	0	37	-1.0	-50.92	321.53	-2.12	-53.04
COC(OC)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047635	0	36	-1.0	-50.60	312.69	-2.54	-53.14
N#CC1(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047636	0	36	-1.0	-58.62	322.38	0.03	-58.59
COC(=O)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047637	0	37	-1.0	-49.31	329.86	-0.79	-50.10
O=C(NCCCNC(=O)C1=CCCOC1)C1=CC(=O)[N-]O1	REAL250005047638	0	37	-1.0	-49.37	317.12	-1.45	-50.82
CC(C)(C)C(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047639	0	41	-1.0	-47.87	335.63	-2.59	-50.46
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005047640	0	36	-1.0	-48.79	310.09	-2.47	-51.26
O=C(NCCCNC(=O)C1=CCCCO1)C1=CC(=O)[N-]O1	REAL250005047641	0	37	-1.0	-47.83	318.79	-0.87	-48.70
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005047642	0	39	-1.0	-47.38	328.47	-1.37	-48.75
O=C(NCCCNC(=O)C1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047643	0	33	-1.0	-55.92	299.26	-5.13	-61.05
O=C(NCCCNC(=O)[C@@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047644	0	33	-1.0	-56.26	299.34	-4.91	-61.17
O=C(NCCCNC(=O)C1=CCCCC1)C1=CC(=O)[N-]O1	REAL250005047645	0	39	-1.0	-48.37	325.80	0.94	-47.43
CCC[C@H](O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047646	0	38	-1.0	-48.94	327.18	-2.11	-51.05
CC1CC(C)(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047647	0	41	-1.0	-48.32	334.36	0.68	-47.64
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005047648	0	40	-1.0	-49.81	334.00	-2.94	-52.75
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005047648	1	41	0.0	-69.68	339.99	0.06	-69.62
O=C(NCCCNC(=O)[C@H]1CC1(F)F)C1=CC(=O)[N-]O1	REAL250005047649	0	32	-1.0	-49.76	297.91	-0.65	-50.41
O=C(CC1=CNN=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047650	0	35	-1.0	-53.47	314.26	-2.12	-55.59
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC(=O)C1	REAL250005047651	0	37	-1.0	-50.04	321.75	-0.66	-50.70
O=C(CC1=CNC=C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047652	0	36	-1.0	-51.59	319.12	-0.70	-52.29
CCCC(C)(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047653	0	41	-1.0	-46.98	343.20	-2.69	-49.67
CCOC(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047654	0	41	-1.0	-51.99	340.70	-0.10	-52.09
O=C(CC1CC(=O)C1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047655	0	37	-1.0	-53.80	325.04	-0.44	-54.24
O=C(CC1CSC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047656	0	36	-1.0	-51.90	322.09	0.10	-51.80
O=C(NCCCNC(=O)C1(F)CCC1)C1=CC(=O)[N-]O1	REAL250005047657	0	35	-1.0	-46.55	307.49	-0.27	-46.82
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CN=CN1	REAL250005047658	0	32	-1.0	-52.73	291.72	-1.74	-54.47
CC1=NOC(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005047659	0	33	-1.0	-49.54	305.33	-3.81	-53.35
CCOC(=O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047660	0	37	-1.0	-56.27	328.21	0.31	-55.96
O=C(NCCCNC(=O)C1CC(=O)C1)C1=CC(=O)[N-]O1	REAL250005047661	0	34	-1.0	-50.83	303.86	-1.23	-52.06
O=C(CN1C=CN=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047662	0	34	-1.0	-61.37	308.48	-2.46	-63.83
C=CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005047663	0	39	-1.0	-47.82	328.36	1.23	-46.59
O=C(NCCCNC(=O)C1(O)COC1)C1=CC(=O)[N-]O1	REAL250005047664	0	34	-1.0	-51.02	300.18	-6.12	-57.14
CCC(C)C(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047665	0	41	-1.0	-48.46	337.82	-1.07	-49.53
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005047666	0	36	-1.0	-49.41	317.18	0.65	-48.76
CC1=CC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047667	0	33	-1.0	-49.25	299.96	-0.12	-49.37
CN(C)C(=O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047668	0	35	-1.0	-47.07	306.53	-2.76	-49.83
CC(=O)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047669	0	37	-1.0	-47.66	330.69	-0.45	-48.11
CCCC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047670	0	38	-1.0	-48.93	327.18	-2.11	-51.04
CCCCC(O)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047671	0	41	-1.0	-48.91	348.68	-1.33	-50.24
O=C(CSC1CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047672	0	36	-1.0	-50.59	329.51	0.55	-50.04
CCC(O)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047673	0	38	-1.0	-51.93	326.57	-2.43	-54.36
CNC(=O)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047674	0	38	-1.0	-50.82	334.01	-3.27	-54.09
O=C(CCCCF)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047675	0	37	-1.0	-49.10	323.99	0.10	-49.00
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CSN=C1	REAL250005047676	0	31	-1.0	-50.21	295.69	-1.63	-51.84
O=C(NCCCNC(=O)C1CCC(=O)C1)C1=CC(=O)[N-]O1	REAL250005047677	0	37	-1.0	-50.58	321.41	-0.60	-51.18
O=C(NCCCNC(=O)[C@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047678	0	33	-1.0	-56.76	298.86	-5.24	-62.00
O=C(CN1C=NC=N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047679	0	34	-1.0	-58.86	309.37	0.26	-58.60
COC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047680	0	36	-1.0	-50.78	312.91	-1.04	-51.82
O=C(NCCCNC(=O)C1CSC1)C1=CC(=O)[N-]O1	REAL250005047681	0	33	-1.0	-48.74	301.00	-0.66	-49.40
NC1=NC=C(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005047682	0	33	-1.0	-49.62	303.95	-6.49	-56.11
O=C(CC1(CO)CC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047683	0	39	-1.0	-48.50	335.96	-2.91	-51.41
O=C(NCCCNC(=O)C1CCC=CO1)C1=CC(=O)[N-]O1	REAL250005047684	0	37	-1.0	-51.36	319.99	0.07	-51.29
O=C(NCCCNC(=O)C1(O)CCCC1)C1=CC(=O)[N-]O1	REAL250005047685	0	39	-1.0	-49.18	325.68	-2.73	-51.91
CCC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005047686	0	39	-1.0	-47.84	327.29	-1.58	-49.42
CC1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CCCO1	REAL250005047687	0	39	-1.0	-47.38	328.47	-1.37	-48.75
O=C(NCCCNC(=O)C1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005047688	0	33	-1.0	-55.92	299.26	-5.13	-61.05
C[C@@H]1OCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047689	0	39	-1.0	-50.53	325.03	-1.56	-52.09
O=C(NCCCNC(=O)C1CC(F)C1)C1=CC(=O)[N-]O1	REAL250005047690	0	35	-1.0	-51.05	307.77	-0.21	-51.26
CCC(O)C(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047691	0	41	-1.0	-51.22	339.37	-1.47	-52.69
O=C(CC1CC(=O)N1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047692	0	36	-1.0	-54.60	319.75	-4.26	-58.86
O=C(NCCCNC(=O)C(O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005047693	0	39	-1.0	-48.70	328.88	-1.31	-50.01
O=C(NCCCNC(=O)C1=CC(=O)[N-]O1)C1=CC=NO1	REAL250005047694	0	31	-1.0	-47.82	288.50	-1.85	-49.67
CCC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047695	0	40	-1.0	-49.01	338.89	0.75	-48.26
CC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047696	0	37	-1.0	-49.22	318.30	-0.05	-49.27
O=C(NCCCCCCNC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005047697	0	41	-1.0	-48.91	349.41	1.52	-47.39
COCC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047698	0	41	-1.0	-52.17	351.61	0.12	-52.05
CCCC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047699	0	43	-1.0	-48.81	360.39	1.52	-47.29
CC(C)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047700	0	43	-1.0	-48.65	358.44	1.42	-47.23
NC(=O)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047701	0	38	-1.0	-47.68	334.24	-3.92	-51.60
C=CCC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047702	0	41	-1.0	-49.13	351.80	1.29	-47.84
O=C(CO)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047703	0	38	-1.0	-53.69	329.36	-2.17	-55.86
CC(O)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047704	0	41	-1.0	-49.81	349.70	-1.38	-51.19
C[C@@H](O)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047705	0	41	-1.0	-49.81	349.69	-1.38	-51.19
C[C@H](O)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047706	0	41	-1.0	-49.83	349.70	-1.38	-51.21
CC=CC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047707	0	41	-1.0	-49.10	352.47	1.36	-47.74
COCC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047708	0	41	-1.0	-52.17	351.61	0.12	-52.05
CCCC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047709	0	43	-1.0	-48.81	360.39	1.52	-47.29
CC(C)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047710	0	43	-1.0	-48.65	358.44	1.42	-47.23
CCC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047711	0	40	-1.0	-49.01	338.89	0.75	-48.26
CC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047712	0	37	-1.0	-49.22	318.30	-0.05	-49.27
O=C(NCCCCCCNC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005047713	0	41	-1.0	-48.91	349.41	1.52	-47.39
NC(=O)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047714	0	38	-1.0	-47.68	334.24	-3.92	-51.60
O=C(CO)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047715	0	38	-1.0	-53.69	329.36	-2.17	-55.86
CC(O)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047716	0	41	-1.0	-49.81	349.70	-1.38	-51.19
CC(=O)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047717	0	39	-1.0	-46.79	340.64	-0.13	-46.92
CC=CC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047718	0	41	-1.0	-49.10	352.47	1.36	-47.74
C[C@H](O)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047719	0	41	-1.0	-49.83	349.70	-1.38	-51.21
C=CCC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047720	0	41	-1.0	-49.13	351.80	1.29	-47.84
N#CCC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047721	0	38	-1.0	-57.61	338.36	0.42	-57.19
C[C@@H](O)C(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047722	0	41	-1.0	-49.81	349.69	-1.38	-51.19
C=CC(=O)NCCCCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047723	0	38	-1.0	-49.24	330.74	0.47	-48.77
CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047724	0	32	-1.0	-47.21	275.00	0.06	-47.15
COCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047725	0	36	-1.0	-46.41	309.98	-0.86	-47.27
O=C(N[C@@H]1CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005047726	0	33	-1.0	-46.99	285.47	0.79	-46.20
O=C(N[C@@H]1CCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005047727	0	36	-1.0	-46.68	300.91	1.28	-45.40
O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005047728	0	39	-1.0	-46.64	313.44	1.72	-44.92
O=C(CC1CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047729	0	36	-1.0	-47.03	307.24	1.60	-45.43
CC(C)(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047730	0	35	-1.0	-45.08	295.14	0.44	-44.64
CC(F)(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047731	0	32	-1.0	-43.70	284.66	0.07	-43.63
COCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047732	0	33	-1.0	-55.12	288.07	-0.53	-55.65
CCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047733	0	35	-1.0	-46.76	297.80	0.82	-45.94
O=C(N[C@@H]1CCN(C(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005047734	0	33	-1.0	-50.82	291.86	0.41	-50.41
CC(=O)NCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047735	0	36	-1.0	-48.34	314.98	-2.30	-50.64
CC(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047736	0	38	-1.0	-46.38	313.29	1.39	-44.99
CC1CC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047737	0	36	-1.0	-46.67	307.65	1.45	-45.22
CCOCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047738	0	36	-1.0	-55.19	309.92	0.43	-54.76
CC(C)=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047739	0	36	-1.0	-50.49	305.12	1.33	-49.16
O=C(N[C@@H]1CCN(C(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005047740	0	37	-1.0	-50.89	309.28	0.53	-50.36
CSCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047741	0	33	-1.0	-54.13	298.41	0.51	-53.62
CSCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047742	0	36	-1.0	-45.96	321.04	1.30	-44.66
CC(C)CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047743	0	41	-1.0	-46.61	336.87	2.11	-44.50
O=C(N[C@@H]1CCN(C(=O)C2=CC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005047744	0	34	-1.0	-53.87	292.92	0.31	-53.56
O=C(N[C@@H]1CCN(C(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005047745	0	33	-1.0	-55.72	289.06	-0.01	-55.73
CCCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047746	0	41	-1.0	-46.66	340.80	2.39	-44.27
CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047747	0	41	-1.0	-45.75	329.37	1.96	-43.79
CCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047748	0	38	-1.0	-46.91	318.03	1.60	-45.31
CC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047749	0	35	-1.0	-46.61	290.28	0.40	-46.21
CCC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047750	0	38	-1.0	-46.77	308.31	1.05	-45.72
CCC(CC)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047751	0	41	-1.0	-46.85	326.81	1.67	-45.18
O=C(N[C@@H]1CCN(C(=O)C2=NNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005047752	0	33	-1.0	-52.89	290.46	-0.99	-53.88
O=C(N[C@@H]1CCN(C(=O)C2=CC=NN2)C1)C1=CC(=O)[N-]O1	REAL250005047752	1	33	-1.0	-51.27	288.11	-1.18	-52.45
CSC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047753	0	36	-1.0	-49.15	315.31	1.00	-48.15
CCOC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047754	0	39	-1.0	-50.06	325.70	0.91	-49.15
O=C(N[C@@H]1CCN(C(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005047755	0	33	-1.0	-53.02	287.58	-1.65	-54.67
COCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047756	0	39	-1.0	-49.36	331.48	-0.10	-49.46
O=C(N[C@@H]1CCN(C(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005047757	0	32	-1.0	-50.65	286.38	-0.18	-50.83
CCC=C(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047758	0	39	-1.0	-47.18	316.78	1.58	-45.60
COC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047759	0	36	-1.0	-49.97	302.94	-0.09	-50.06
CC(C)OCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047760	0	39	-1.0	-49.80	331.13	1.15	-48.65
CCCOCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047761	0	39	-1.0	-54.98	331.42	1.24	-53.74
O=C(N[C@@H]1CCN(C(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005047762	0	37	-1.0	-46.70	304.50	-0.82	-47.52
CCC(OC)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047763	0	39	-1.0	-49.22	321.48	0.62	-48.60
COC(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047764	0	39	-1.0	-48.39	327.80	0.66	-47.73
C=CCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047765	0	36	-1.0	-46.82	309.31	1.36	-45.46
CCOCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047766	0	39	-1.0	-46.43	330.53	0.08	-46.35
COCC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047767	0	39	-1.0	-45.29	327.78	-0.32	-45.61
C=CCOCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047768	0	37	-1.0	-55.54	322.82	1.01	-54.53
O=C(N[C@@H]1CCN(C(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005047769	0	32	-1.0	-51.18	286.63	-2.26	-53.44
CCCC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047770	0	41	-1.0	-46.44	335.85	1.98	-44.46
O=C(CCC1CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047771	0	39	-1.0	-46.92	328.15	2.39	-44.53
O=C(N[C@@H]1CCN(C(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005047772	0	37	-1.0	-46.42	308.55	1.68	-44.74
O=C(CC1CCC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047773	0	39	-1.0	-47.05	322.94	2.12	-44.93
CC(C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005047774	0	39	-1.0	-47.18	325.36	2.04	-45.14
CC=C(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047775	0	36	-1.0	-51.28	308.83	1.21	-50.07
CC1CC(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005047776	0	39	-1.0	-46.69	323.99	1.97	-44.72
O=C(C=C1CCC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047777	0	37	-1.0	-51.49	313.45	2.03	-49.46
CC(C)=C(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047778	0	36	-1.0	-46.94	307.40	1.28	-45.66
O=C(N[C@@H]1CCN(C(=O)C2=CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005047779	0	37	-1.0	-47.21	304.96	1.56	-45.65
CC1(C)CC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047780	0	39	-1.0	-46.23	322.62	2.03	-44.20
CC1(C)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047781	0	39	-1.0	-46.24	322.73	2.02	-44.22
O=C(N[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005047782	0	37	-1.0	-50.22	307.02	0.50	-49.72
CCC(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047783	0	41	-1.0	-46.52	331.43	2.08	-44.44
C#CCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047784	0	37	-1.0	-49.57	325.09	2.13	-47.44
CC(C)(O)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047785	0	39	-1.0	-46.29	320.73	-0.52	-46.81
CC(C)[C@@H](O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047786	0	39	-1.0	-46.10	318.68	-0.80	-46.90
CCC(C)=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047787	0	39	-1.0	-50.10	326.61	2.10	-48.00
CC(C)C#CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047788	0	37	-1.0	-50.98	325.04	2.11	-48.87
O=C(C#CC1CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047789	0	35	-1.0	-51.39	314.82	2.26	-49.13
C=C(C)CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047790	0	39	-1.0	-46.47	330.95	2.04	-44.43
CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005047791	0	36	-1.0	-47.15	304.64	1.13	-46.02
O=C(N[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005047792	0	37	-1.0	-50.62	308.10	0.49	-50.13
O=C(N[C@@H]1CCN(C(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005047793	0	32	-1.0	-49.35	286.23	-2.50	-51.85
CC1(CC(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005047794	0	39	-1.0	-46.72	325.61	2.07	-44.65
O=C(N[C@@H]1CCN(C(=O)C2=CN=CO2)C1)C1=CC(=O)[N-]O1	REAL250005047795	0	32	-1.0	-51.55	286.79	-2.87	-54.42
C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047796	0	39	-1.0	-46.19	313.31	1.12	-45.07
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047797	0	36	-1.0	-46.76	306.90	1.47	-45.29
CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005047798	0	39	-1.0	-46.98	314.70	1.47	-45.51
CCC(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047799	0	35	-1.0	-47.15	301.16	0.81	-46.34
O=C(CCCF)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047800	0	35	-1.0	-49.46	304.40	0.97	-48.49
C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047801	0	36	-1.0	-46.97	307.51	1.47	-45.50
CC(C)C(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047802	0	38	-1.0	-47.90	320.26	1.27	-46.63
C=CCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047803	0	39	-1.0	-47.15	332.11	2.16	-44.99
CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047804	0	41	-1.0	-45.33	317.21	1.21	-44.12
NC(=O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047805	0	30	-1.0	-46.62	267.72	-4.60	-51.22
CC1CC1CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047806	0	39	-1.0	-47.19	325.33	2.22	-44.97
CCC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005047807	0	39	-1.0	-46.88	325.23	1.80	-45.08
O=C(N[C@@H]1CCN(C(=O)C2(CF)CC2)C1)C1=CC(=O)[N-]O1	REAL250005047808	0	36	-1.0	-50.14	310.79	1.25	-48.89
CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047809	0	38	-1.0	-46.52	304.50	0.72	-45.80
CC(C)C(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047810	0	41	-1.0	-45.47	330.92	1.71	-43.76
CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047811	0	39	-1.0	-46.92	328.83	2.24	-44.68
O=C(N[C@@H]1CCN(C(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005047812	0	37	-1.0	-47.24	317.98	2.26	-44.98
O=C(N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005047813	0	34	-1.0	-54.08	301.15	-3.28	-57.36
O=C(N[C@@H]1CCN(C(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005047814	0	34	-1.0	-54.66	300.40	-3.65	-58.31
COC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005047815	0	37	-1.0	-45.09	314.90	-0.23	-45.32
O=C(N[C@@H]1CCN(C(=O)C2CSC2)C1)C1=CC(=O)[N-]O1	REAL250005047816	0	34	-1.0	-46.43	300.01	0.90	-45.53
C=CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047817	0	33	-1.0	-47.09	289.20	0.61	-46.48
C[NH+](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047818	0	38	0.0	-71.01	310.65	0.73	-70.28
CN(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047818	1	37	-1.0	-47.40	308.50	-1.65	-49.05
C=CC(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047819	0	34	-1.0	-47.21	292.22	-1.55	-48.76
O=C(N[C@@H]1CCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005047820	0	34	-1.0	-47.18	293.51	-1.46	-48.64
CO[C@H](C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047821	0	36	-1.0	-49.97	302.97	-0.10	-50.07
CC=CC(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047822	0	37	-1.0	-46.72	314.02	-0.71	-47.43
C[C@@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005047823	0	41	0.0	-68.81	326.55	1.06	-67.75
C[C@@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005047823	1	40	-1.0	-45.69	317.94	-1.50	-47.19
CCC=C(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047824	0	36	-1.0	-47.33	311.12	1.36	-45.97
CCC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047825	0	36	-1.0	-51.68	309.08	1.40	-50.28
CC(C)(CO)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047827	0	39	-1.0	-46.32	313.80	-2.51	-48.83
O=C(N[C@@H]1CCN(C(=O)C2(F)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005047828	0	36	-1.0	-44.93	306.45	1.26	-43.67
O=C(CO)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047829	0	30	-1.0	-56.57	266.62	-2.82	-59.39
NC(=O)C=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047830	0	34	-1.0	-52.12	304.37	-3.32	-55.44
CC(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047831	0	33	-1.0	-47.65	282.07	-2.25	-49.90
O=C(N[C@@H]1CCN(C(=O)C2(O)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005047832	0	37	-1.0	-44.99	309.04	-1.86	-46.85
O=C(N[C@@H]1CCN(C(=O)C(O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005047833	0	37	-1.0	-46.63	309.40	-0.48	-47.11
C=CCC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047834	0	39	-1.0	-46.38	325.44	1.73	-44.65
O=C(N[C@@H]1CCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005047835	0	33	-1.0	-51.35	290.70	0.91	-50.44
C[C@@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005047836	0	41	0.0	-68.81	326.55	1.06	-67.75
C[C@@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005047836	1	40	-1.0	-45.69	317.94	-1.50	-47.19
O=C(CCF)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047837	0	32	-1.0	-46.19	281.59	0.18	-46.01
O=C(N[C@@H]1CCN(C(=O)C2(O)COC2)C1)C1=CC(=O)[N-]O1	REAL250005047838	0	35	-1.0	-46.14	299.82	-4.04	-50.18
CC(C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005047839	0	37	-1.0	-46.91	323.03	2.14	-44.77
CCC1CC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047840	0	39	-1.0	-46.17	323.47	2.24	-43.93
O=C(CC1(O)CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047841	0	37	-1.0	-50.68	319.24	-1.36	-52.04
O=C(C=CCF)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047842	0	33	-1.0	-53.86	294.17	0.76	-53.10
C#CCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047843	0	34	-1.0	-46.93	302.28	1.32	-45.61
O=C(CN1CCC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047844	0	38	-1.0	-48.48	316.36	-2.05	-50.53
O=C(C[NH+]1CCC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047844	1	39	0.0	-70.93	320.88	1.22	-69.71
C#C[C@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047845	0	35	-1.0	-49.59	309.04	1.96	-47.63
O=C(N[C@@H]1CCN(C(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005047846	0	37	-1.0	-46.84	311.94	2.12	-44.72
C=C1CCC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047847	0	37	-1.0	-46.33	311.54	1.64	-44.69
C[C@H]1C(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005047848	0	39	-1.0	-45.95	318.77	1.99	-43.96
C[C@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005047849	0	41	0.0	-69.04	327.66	1.06	-67.98
C[C@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005047849	1	40	-1.0	-47.56	325.64	-1.27	-48.83
CC=CC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047850	0	37	-1.0	-51.39	324.15	2.09	-49.30
COCC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047851	0	37	-1.0	-53.91	321.34	-0.32	-54.23
CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005047852	0	37	-1.0	-46.91	305.71	-1.26	-48.17
O=C(N[C@@H]1CCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005047853	0	34	-1.0	-51.19	293.19	-0.47	-51.66
[N-]=[N+]=NCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047854	0	34	-1.0	-46.07	305.14	-3.35	-49.42
C#CCOCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047855	0	35	-1.0	-58.15	315.72	0.96	-57.19
CC(C)(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047856	0	36	-1.0	-44.57	299.88	-2.49	-47.06
CC1=CC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047857	0	34	-1.0	-47.67	301.43	1.52	-46.15
CN(C)C(=O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047858	0	36	-1.0	-47.06	305.85	-1.14	-48.20
CSC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047859	0	34	-1.0	-50.37	310.94	0.96	-49.41
CCC(C)(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047860	0	39	-1.0	-45.58	317.47	-1.76	-47.34
CC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047861	0	41	0.0	-69.92	329.61	1.44	-68.48
CC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047861	1	41	0.0	-69.96	329.62	1.43	-68.53
CCN(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047861	1	40	-1.0	-47.06	326.53	-0.88	-47.94
C=C1CC(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005047862	0	37	-1.0	-46.30	314.55	1.79	-44.51
O=C(N[C@@H]1CCN(C(=O)C2CCC2F)C1)C1=CC(=O)[N-]O1	REAL250005047863	0	36	-1.0	-50.50	307.38	1.42	-49.08
O=C(N[C@@H]1CCN(C(=O)C2=CNC=N2)C1)C1=CC(=O)[N-]O1	REAL250005047864	0	33	-1.0	-53.48	291.28	0.26	-53.22
O=C(N[C@@H]1CCN(C(=O)C2=CN=CN2)C1)C1=CC(=O)[N-]O1	REAL250005047864	1	33	-1.0	-55.47	288.18	-0.01	-55.48
O=C(N[C@@H]1CCN(C(=O)C2(Cl)CC2)C1)C1=CC(=O)[N-]O1	REAL250005047865	0	33	-1.0	-44.73	297.11	1.04	-43.69
O=C(N[C@@H]1CCN(C(=O)C2=CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005047866	0	35	-1.0	-49.38	301.01	0.07	-49.31
CCC[C@H](O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047867	0	39	-1.0	-47.21	324.63	-0.68	-47.89
CC(C)[C@H](O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047868	0	39	-1.0	-46.62	318.49	-0.76	-47.38
CCOC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047869	0	37	-1.0	-50.19	321.97	0.28	-49.91
C[C@@H](O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047870	0	33	-1.0	-47.85	281.26	-2.30	-50.15
O=C(CCCCF)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047871	0	38	-1.0	-47.28	325.89	1.75	-45.53
O=C(C=CCO)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047872	0	34	-1.0	-55.41	299.09	-2.72	-58.13
COC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047873	0	39	-1.0	-45.79	315.26	-0.46	-46.25
O=C(CCCCO)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047874	0	39	-1.0	-48.05	330.72	-1.73	-49.78
O=C(N[C@@H]1CCN(C(=O)C2(CO)CC2)C1)C1=CC(=O)[N-]O1	REAL250005047875	0	37	-1.0	-50.89	316.18	-2.23	-53.12
COC(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047876	0	33	-1.0	-54.77	293.55	-1.19	-55.96
O=C(N[C@@H]1CCN(C(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005047877	0	37	-1.0	-47.05	313.41	1.93	-45.12
C=C[C@H](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047878	0	39	-1.0	-46.14	326.07	1.92	-44.22
O=C(C=CC1CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047879	0	37	-1.0	-51.52	319.96	2.21	-49.31
CC=C(CC)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047880	0	39	-1.0	-46.99	328.55	1.82	-45.17
C=CC(C)(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047881	0	37	-1.0	-45.91	311.03	-1.66	-47.57
O=C(N[C@@H]1CCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005047882	0	34	-1.0	-47.95	291.69	1.19	-46.76
CON=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047883	0	33	-1.0	-52.82	296.76	-1.42	-54.24
O=C(N[C@@H]1CCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005047884	0	33	-1.0	-44.89	289.99	0.73	-44.16
O=C(COCCO)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047885	0	37	-1.0	-58.07	322.10	-2.71	-60.78
CC(C)(CF)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047886	0	38	-1.0	-45.21	309.44	0.81	-44.40
O=C(N[C@@H]1CCN(C(=O)C2=NOCC2)C1)C1=CC(=O)[N-]O1	REAL250005047887	0	34	-1.0	-47.49	297.19	-0.96	-48.45
COCC(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047888	0	37	-1.0	-47.07	316.22	-2.96	-50.03
C#CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047889	0	37	-1.0	-45.99	312.13	1.21	-44.78
O=C(COC1CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047890	0	37	-1.0	-50.79	321.26	1.20	-49.59
O=C(N[C@@H]1CCN(C(=O)C2=NC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005047891	0	33	-1.0	-50.55	290.77	-0.47	-51.02
CCCC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047892	0	39	-1.0	-51.44	330.57	2.18	-49.26
CC=C(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047893	0	33	-1.0	-47.48	291.48	0.58	-46.90
CCC(CO)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047894	0	39	-1.0	-48.50	324.62	-2.12	-50.62
CC(CO)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047895	0	36	-1.0	-46.70	306.74	-2.73	-49.43
O=C(N[C@@H]1CCN(C(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005047896	0	32	-1.0	-46.21	283.54	-0.47	-46.68
O=C(N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CF)C1)C1=CC(=O)[N-]O1	REAL250005047897	0	36	-1.0	-49.07	314.11	1.60	-47.47
C#CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005047898	0	35	-1.0	-46.16	306.42	1.52	-44.64
O=C(N[C@@H]1CCN(C(=O)C2=COCC2)C1)C1=CC(=O)[N-]O1	REAL250005047899	0	35	-1.0	-47.79	295.00	-0.50	-48.29
C[C@H](O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047900	0	33	-1.0	-47.47	282.05	-2.24	-49.71
O=C(N[C@@H]1CCN(C(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005047901	0	37	-1.0	-46.15	306.14	1.64	-44.51
CC(O)C(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047902	0	39	-1.0	-50.13	324.63	-2.12	-52.25
C=C1CC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047903	0	34	-1.0	-46.93	298.14	1.35	-45.58
CC(CF)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047904	0	35	-1.0	-45.48	300.00	0.65	-44.83
C=C(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047905	0	36	-1.0	-46.72	310.90	1.26	-45.46
CCSCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047906	0	36	-1.0	-53.99	319.87	1.42	-52.57
CC(C)=C(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047907	0	39	-1.0	-46.88	324.53	1.89	-44.99
CCCC(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047908	0	39	-1.0	-46.71	324.06	-0.67	-47.38
CCC(O)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047909	0	39	-1.0	-50.15	328.46	-0.78	-50.93
CC(Cl)=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047910	0	33	-1.0	-52.75	301.28	1.17	-51.58
CC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047911	0	33	-1.0	-51.56	289.00	0.65	-50.91
CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005047912	0	36	-1.0	-49.34	310.63	1.18	-48.16
O=C(N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005047913	0	37	-1.0	-50.67	314.30	-2.09	-52.76
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047914	0	36	-1.0	-46.76	306.90	1.47	-45.29
CNC(=O)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047915	0	36	-1.0	-58.39	312.39	-0.88	-59.27
C=CC=CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047916	0	37	-1.0	-47.48	324.47	2.03	-45.45
NC(=O)CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047917	0	36	-1.0	-48.80	312.68	-3.13	-51.93
CC(O)CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047918	0	39	-1.0	-46.75	329.61	-1.68	-48.43
C#CCC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047919	0	37	-1.0	-45.59	320.65	1.75	-43.84
CC(CCO)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047920	0	39	-1.0	-50.56	319.73	-2.31	-52.87
O=C(N[C@@H]1CCN(C(=O)[C@H](O)CF)C1)C1=CC(=O)[N-]O1	REAL250005047921	0	33	-1.0	-48.17	287.73	-2.16	-50.33
O=C(N[C@@H]1CCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005047922	0	34	-1.0	-45.32	295.85	-2.54	-47.86
O=C(CC1CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047923	0	36	-1.0	-49.32	303.23	1.48	-47.84
CC(C)(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047924	0	35	-1.0	-46.76	299.28	0.57	-46.19
CC(F)(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047925	0	32	-1.0	-47.08	285.11	0.10	-46.98
COCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047926	0	33	-1.0	-54.31	285.99	-0.73	-55.04
CCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047927	0	35	-1.0	-49.31	293.90	0.69	-48.62
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CO1	REAL250005047928	0	33	-1.0	-50.87	293.04	0.20	-50.67
CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047929	0	36	-1.0	-52.20	312.00	-2.41	-54.61
CC(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047930	0	38	-1.0	-50.79	311.61	1.24	-49.55
CC1CC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047931	0	36	-1.0	-49.08	304.31	1.37	-47.71
CCOCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047932	0	36	-1.0	-52.49	306.94	0.25	-52.24
CC(C)=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047933	0	36	-1.0	-49.94	302.73	1.23	-48.71
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCO1	REAL250005047934	0	37	-1.0	-53.09	308.53	0.52	-52.57
CSCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047935	0	33	-1.0	-53.58	296.33	0.34	-53.24
CSCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047936	0	36	-1.0	-50.30	318.12	1.13	-49.17
CC(C)CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047937	0	41	-1.0	-51.10	333.95	1.95	-49.15
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005047938	0	34	-1.0	-51.54	294.80	0.03	-51.51
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=C1	REAL250005047939	0	33	-1.0	-54.60	292.07	0.18	-54.42
CCCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047940	0	41	-1.0	-50.92	337.76	2.24	-48.68
CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047941	0	41	-1.0	-47.90	325.49	1.82	-46.08
CCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047942	0	38	-1.0	-51.02	316.26	1.46	-49.56
CC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047943	0	35	-1.0	-48.97	292.01	0.58	-48.39
CCC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047944	0	38	-1.0	-48.96	310.09	1.23	-47.73
CCC(CC)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047945	0	41	-1.0	-49.06	326.73	1.69	-47.37
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005047946	0	33	-1.0	-51.24	290.47	-1.32	-52.56
CSC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047947	0	36	-1.0	-50.95	313.92	0.93	-50.02
CCOC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047948	0	39	-1.0	-52.09	326.66	0.96	-51.13
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNN=C1	REAL250005047949	0	33	-1.0	-51.35	289.90	-1.31	-52.66
COCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047950	0	39	-1.0	-54.17	328.56	-0.27	-54.44
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOC=C1	REAL250005047951	0	32	-1.0	-50.07	286.52	-0.51	-50.58
CCC=C(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047952	0	39	-1.0	-48.84	320.99	2.02	-46.82
COC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047953	0	36	-1.0	-52.08	304.81	0.01	-52.07
CC(C)OCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047954	0	39	-1.0	-52.40	327.21	0.98	-51.42
CCCOCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047955	0	39	-1.0	-52.25	328.44	1.06	-51.19
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCOC1	REAL250005047956	0	37	-1.0	-49.01	306.23	-0.81	-49.82
CCC(OC)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047957	0	39	-1.0	-52.05	321.47	0.69	-51.36
COC(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047958	0	39	-1.0	-51.97	326.08	0.50	-51.47
C=CCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047959	0	36	-1.0	-50.88	307.56	1.24	-49.64
CCOCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047960	0	39	-1.0	-50.66	328.91	-0.07	-50.73
COCC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047961	0	39	-1.0	-48.65	324.75	-0.28	-48.93
C=CCOCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047962	0	37	-1.0	-52.82	319.84	0.83	-51.99
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=N1	REAL250005047963	0	32	-1.0	-50.89	287.80	-3.20	-54.09
CC(C#N)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047964	0	33	-1.0	-56.44	291.27	0.23	-56.21
CCCC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047965	0	41	-1.0	-49.01	331.59	1.98	-47.03
O=C(CCC1CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047966	0	39	-1.0	-49.39	325.52	2.24	-47.15
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC=CC1	REAL250005047967	0	37	-1.0	-49.01	307.96	1.68	-47.33
O=C(CC1CCC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047968	0	39	-1.0	-49.55	320.20	1.98	-47.57
CC(C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005047969	0	39	-1.0	-48.81	321.91	2.09	-46.72
CC=C(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047970	0	36	-1.0	-51.11	301.70	1.18	-49.93
CC1CC(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005047971	0	39	-1.0	-48.82	318.91	1.80	-47.02
O=C(C=C1CCC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047972	0	37	-1.0	-49.35	311.53	1.94	-47.41
CC(C)=C(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047973	0	36	-1.0	-46.87	307.40	1.29	-45.58
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005047974	0	37	-1.0	-48.90	308.95	1.81	-47.09
CC1(C)CC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047975	0	39	-1.0	-48.15	319.42	1.93	-46.22
CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047976	0	39	-1.0	-49.99	320.37	1.91	-48.08
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCCO1	REAL250005047977	0	37	-1.0	-53.10	308.62	0.46	-52.64
CCC(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047978	0	41	-1.0	-50.55	329.72	1.93	-48.62
C#CCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047979	0	37	-1.0	-53.99	322.04	1.98	-52.01
CC(C)(O)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047980	0	39	-1.0	-54.30	320.37	-1.02	-55.32
CC(C)[C@@H](O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047981	0	39	-1.0	-50.94	320.52	-0.68	-51.62
CCC(C)=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047982	0	39	-1.0	-47.99	323.30	2.00	-45.99
CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047983	0	37	-1.0	-50.50	322.65	1.94	-48.56
O=C(C#CC1CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047984	0	35	-1.0	-50.83	312.32	2.11	-48.72
CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047985	0	32	-1.0	-51.25	273.31	-0.08	-51.33
COCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047986	0	36	-1.0	-50.84	307.06	-1.03	-51.87
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005047987	0	33	-1.0	-50.67	283.78	0.69	-49.98
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005047988	0	36	-1.0	-49.02	299.10	1.18	-47.84
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC1	REAL250005047989	0	39	-1.0	-50.85	317.72	1.77	-49.08
C=CCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047990	0	39	-1.0	-51.68	329.19	2.00	-49.68
CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047991	0	41	-1.0	-50.79	325.97	1.64	-49.15
NC(=O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047992	0	30	-1.0	-48.13	268.60	-4.76	-52.89
CC1CC1CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047993	0	39	-1.0	-49.49	324.68	2.15	-47.34
CCC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005047994	0	39	-1.0	-50.69	325.49	1.88	-48.81
CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047995	0	38	-1.0	-48.94	310.88	1.15	-47.79
C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047996	0	39	-1.0	-48.98	328.35	1.93	-47.05
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005047997	0	36	-1.0	-48.16	305.39	1.37	-46.79
CC(C)C(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047998	0	41	-1.0	-48.19	325.88	1.81	-46.38
CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005047999	0	39	-1.0	-50.67	326.61	2.11	-48.56
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC12CC2	REAL250005048000	0	37	-1.0	-49.14	315.26	2.18	-46.96
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CCCO1	REAL250005048001	0	37	-1.0	-54.60	309.28	0.48	-54.12
CC1(CC(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005048002	0	39	-1.0	-50.70	324.19	1.95	-48.75
CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005048003	0	36	-1.0	-50.41	301.53	1.29	-49.12
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC=C1	REAL250005048004	0	34	-1.0	-54.48	294.93	0.11	-54.37
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005048005	0	32	-1.0	-51.63	287.80	-3.09	-54.72
C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048006	0	39	-1.0	-51.22	320.58	1.52	-49.70
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048007	0	36	-1.0	-48.77	304.20	1.38	-47.39
CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005048008	0	39	-1.0	-50.55	317.19	1.71	-48.84
CCC(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048009	0	35	-1.0	-49.28	300.19	0.73	-48.55
O=C(CCCF)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048010	0	35	-1.0	-54.26	301.47	0.80	-53.46
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048011	0	36	-1.0	-48.83	304.19	1.38	-47.45
CC(C)C(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048012	0	38	-1.0	-50.33	315.54	1.31	-49.02
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNN=C1	REAL250005048013	0	32	-1.0	-48.55	285.34	-2.73	-51.28
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005048013	1	32	-1.0	-52.19	285.27	-2.70	-54.89
O=C(CO)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048014	0	30	-1.0	-56.00	263.74	-3.01	-59.01
NC(=O)C=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048015	0	34	-1.0	-52.56	303.23	-3.45	-56.01
COC(=O)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048016	0	35	-1.0	-59.70	305.25	0.87	-58.83
CSC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048017	0	34	-1.0	-50.02	308.89	0.82	-49.20
NC(=O)CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048018	0	36	-1.0	-52.31	310.93	-3.25	-55.56
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005048019	0	34	-1.0	-53.87	290.89	-0.44	-54.31
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005048020	0	33	-1.0	-46.13	298.13	1.25	-44.88
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005048021	0	35	-1.0	-48.13	300.39	-0.17	-48.30
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005048022	0	34	-1.0	-51.53	290.68	-1.58	-53.11
O=C(C=CCO)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048023	0	34	-1.0	-52.89	297.09	-2.81	-55.70
CC=CC(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048024	0	37	-1.0	-50.77	316.32	-0.64	-51.41
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005048025	0	41	0.0	-70.29	325.77	1.08	-69.21
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005048025	1	40	-1.0	-49.46	318.26	-1.31	-50.77
CCC=C(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048026	0	36	-1.0	-47.45	312.24	1.31	-46.14
CCC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048027	0	36	-1.0	-50.97	308.06	1.25	-49.72
[N-]=[N+]=NCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048028	0	34	-1.0	-50.63	303.52	-3.50	-54.13
C#CCOCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048029	0	35	-1.0	-57.34	313.63	0.76	-56.58
CC(O)CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048030	0	39	-1.0	-50.73	326.55	-1.82	-52.55
C#CCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048031	0	34	-1.0	-51.20	300.66	1.17	-50.03
CC=CC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048032	0	37	-1.0	-49.05	321.03	1.99	-47.06
COCC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048033	0	37	-1.0	-51.24	319.22	-0.41	-51.65
CCC(C)(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048034	0	39	-1.0	-47.76	319.47	-1.98	-49.74
C#CCC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048035	0	37	-1.0	-49.11	317.55	1.77	-47.34
C=CC(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048036	0	34	-1.0	-51.28	294.73	-1.52	-52.80
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC1CC2	REAL250005048037	0	37	-1.0	-50.73	312.23	1.89	-48.84
C=C[C@H](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048038	0	39	-1.0	-50.45	324.27	1.80	-48.65
O=C(C=CC1CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048039	0	37	-1.0	-48.83	317.84	2.13	-46.70
CCC(C#N)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048040	0	36	-1.0	-49.35	312.08	0.84	-48.51
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C2CCC21	REAL250005048041	0	37	-1.0	-50.58	311.13	2.06	-48.52
C=C1CCC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048042	0	37	-1.0	-48.72	312.65	1.69	-47.03
C[C@H]1C(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005048043	0	39	-1.0	-48.92	320.78	1.91	-47.01
CC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048044	0	41	0.0	-74.35	326.58	1.30	-73.05
CC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048044	1	41	0.0	-72.60	325.68	1.33	-71.27
CCN(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048044	1	40	-1.0	-51.60	324.78	-0.98	-52.58
CC(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048045	0	33	-1.0	-49.57	283.09	-2.22	-51.79
CC(=O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048046	0	31	-1.0	-46.90	275.13	-0.93	-47.83
N#CCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048047	0	36	-1.0	-59.99	315.61	1.20	-58.79
N#CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005048048	0	34	-1.0	-49.90	303.05	0.92	-48.98
C=C1CC(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005048049	0	37	-1.0	-50.38	313.54	1.70	-48.68
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005048050	0	33	-1.0	-46.38	288.94	0.76	-45.62
COC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048051	0	39	-1.0	-54.71	317.89	0.42	-54.29
CC(CC#N)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048052	0	36	-1.0	-50.73	311.12	0.96	-49.77
CCC1CC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048053	0	39	-1.0	-48.69	320.22	2.15	-46.54
C=CC(C)(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048054	0	37	-1.0	-47.41	312.96	-1.91	-49.32
CCCC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048055	0	39	-1.0	-49.09	328.57	2.09	-47.00
CC=C(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048056	0	33	-1.0	-47.67	291.93	0.57	-47.10
C[C@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005048057	0	41	0.0	-71.78	326.01	1.09	-70.69
C[C@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005048057	1	40	-1.0	-51.21	318.58	-1.43	-52.64
CCOC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048058	0	37	-1.0	-50.15	320.02	0.12	-50.03
CC(=O)OCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048059	0	35	-1.0	-52.31	308.44	0.88	-51.43
CC(=O)C=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048060	0	35	-1.0	-51.16	310.33	0.39	-50.77
O=C(COC1CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048061	0	37	-1.0	-55.40	318.21	1.01	-54.39
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005048062	0	33	-1.0	-50.12	290.86	-1.03	-51.15
CC(CO)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048063	0	36	-1.0	-49.04	302.52	-2.69	-51.73
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CON=C1	REAL250005048064	0	32	-1.0	-54.93	286.78	-0.34	-55.27
O=C(CCCCO)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048065	0	39	-1.0	-52.40	327.80	-1.90	-54.30
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC1	REAL250005048066	0	35	-1.0	-47.17	306.60	0.62	-46.55
O=C(CC1(O)CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048067	0	37	-1.0	-55.53	315.13	-2.06	-57.59
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005048068	0	36	-1.0	-54.02	305.73	1.25	-52.77
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005048069	0	36	-1.0	-51.33	310.77	1.51	-49.82
CCC(CO)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048070	0	39	-1.0	-49.13	319.72	-1.96	-51.09
N#C[C@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048071	0	34	-1.0	-63.04	300.88	0.96	-62.08
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005048072	0	35	-1.0	-50.98	299.96	-0.24	-51.22
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005048073	0	34	-1.0	-50.27	292.10	-2.40	-52.67
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005048074	0	34	-1.0	-49.59	292.84	1.22	-48.37
CC(CF)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048075	0	35	-1.0	-48.23	297.74	0.72	-47.51
CC(Cl)=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048076	0	33	-1.0	-52.65	299.24	1.01	-51.64
CC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048077	0	33	-1.0	-51.07	286.96	0.49	-50.58
CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005048078	0	36	-1.0	-52.71	305.31	1.41	-51.30
O=C(C=CCF)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048079	0	33	-1.0	-51.34	292.06	0.67	-50.67
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005048080	0	37	-1.0	-52.76	316.56	-2.15	-54.91
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005048081	0	32	-1.0	-48.13	286.39	-0.32	-48.45
C[C@H](O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048083	0	33	-1.0	-50.23	283.10	-2.21	-52.44
CON=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048084	0	33	-1.0	-53.63	295.72	-1.51	-55.14
CC(C)[C@H](O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048085	0	39	-1.0	-49.52	319.99	-0.65	-50.17
C#CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005048086	0	35	-1.0	-49.28	309.52	1.75	-47.53
C=CC=CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048087	0	37	-1.0	-51.97	321.47	1.88	-50.09
C#C[C@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048088	0	35	-1.0	-54.14	306.76	1.83	-52.31
CC=C(CC)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048089	0	39	-1.0	-50.29	322.60	1.90	-48.39
COC(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048090	0	33	-1.0	-54.16	291.88	-1.25	-55.41
COCC(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048091	0	37	-1.0	-50.00	316.55	-2.90	-52.90
N#C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048092	0	34	-1.0	-51.96	303.81	1.13	-50.83
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005048093	0	37	-1.0	-54.59	311.40	-2.21	-56.80
O=C(COCCO)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048094	0	37	-1.0	-57.49	319.22	-2.90	-60.39
CC(C)(CF)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048095	0	38	-1.0	-49.28	316.69	1.22	-48.06
CC(C)(CO)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048096	0	39	-1.0	-50.42	321.09	-2.06	-52.48
C=CCC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048097	0	39	-1.0	-48.82	324.54	1.84	-46.98
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048098	0	36	-1.0	-48.77	304.20	1.38	-47.39
CC(C)(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048099	0	36	-1.0	-48.90	303.73	-2.66	-51.56
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005048100	0	34	-1.0	-48.27	297.34	-1.24	-49.51
CC(C#N)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048101	0	36	-1.0	-50.50	309.91	0.97	-49.53
CC(CCO)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048102	0	39	-1.0	-52.76	321.49	-2.11	-54.87
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005048103	0	33	-1.0	-50.51	289.50	-2.05	-52.56
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005048104	0	37	-1.0	-50.36	308.08	-1.85	-52.21
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005048105	0	37	-1.0	-48.96	315.15	-0.65	-49.61
C=C(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048106	0	36	-1.0	-51.05	307.84	1.11	-49.94
CC(C)(C#N)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048107	0	36	-1.0	-58.04	311.08	0.71	-57.33
CCSCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048108	0	36	-1.0	-51.54	316.89	1.25	-50.29
CC(C)=C(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048109	0	39	-1.0	-49.91	317.56	1.94	-47.97
CNC(=O)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048110	0	36	-1.0	-63.67	309.40	-1.05	-64.72
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005048111	0	36	-1.0	-51.39	305.73	1.29	-50.10
C=CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048112	0	33	-1.0	-51.29	286.17	0.46	-50.83
C[NH+](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048113	0	38	0.0	-75.05	308.97	0.61	-74.44
CN(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048113	1	37	-1.0	-49.67	305.79	-1.73	-51.40
N#CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048114	0	30	-1.0	-61.01	272.73	-0.42	-61.43
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005048115	0	33	-1.0	-50.47	290.68	0.76	-49.71
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005048116	0	41	0.0	-70.29	325.77	1.08	-69.21
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005048116	1	40	-1.0	-49.46	318.26	-1.31	-50.77
O=C(CCF)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048117	0	32	-1.0	-50.18	279.84	0.06	-50.12
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C=CCC1	REAL250005048118	0	37	-1.0	-50.22	308.90	1.71	-48.51
C#CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048119	0	37	-1.0	-53.28	317.51	1.58	-51.70
CO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048120	0	36	-1.0	-54.21	305.77	-0.03	-54.24
CC(=O)CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048121	0	37	-1.0	-50.69	317.84	0.58	-50.11
C[C@@H](O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048122	0	33	-1.0	-49.53	283.10	-2.21	-51.74
O=C(CN1CCC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048123	0	38	-1.0	-52.69	314.62	-2.16	-54.85
O=C(C[NH+]1CCC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048123	1	39	0.0	-72.72	317.90	1.12	-71.60
CC(O)C(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048124	0	39	-1.0	-51.82	316.61	-0.99	-52.81
C=C1CC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048125	0	34	-1.0	-48.88	296.38	1.28	-47.60
COC(OC)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048126	0	37	-1.0	-52.06	310.70	-1.04	-53.10
CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005048127	0	37	-1.0	-49.27	308.10	-0.98	-50.25
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005048128	0	34	-1.0	-57.47	296.84	-3.73	-61.20
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC(=O)N1	REAL250005048129	0	34	-1.0	-58.92	298.20	-3.41	-62.33
CCC[C@H](O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048130	0	39	-1.0	-49.96	325.20	-0.60	-50.56
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005048131	0	36	-1.0	-48.47	306.36	1.22	-47.25
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005048132	0	33	-1.0	-53.00	289.62	-0.23	-53.23
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)C1	REAL250005048133	0	35	-1.0	-53.20	302.72	0.27	-52.93
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005048134	0	35	-1.0	-51.92	298.83	-4.10	-56.02
CC(C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005048135	0	37	-1.0	-51.35	316.04	2.15	-49.20
CC1=CC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048136	0	34	-1.0	-51.04	298.79	1.40	-49.64
CN(C)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048137	0	36	-1.0	-47.67	306.09	-1.27	-48.94
CCCC(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048138	0	39	-1.0	-49.29	325.18	-0.60	-49.89
CCC(O)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048139	0	39	-1.0	-52.60	324.54	-0.93	-53.53
O=C(CCCCF)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048140	0	38	-1.0	-51.41	322.85	1.60	-49.81
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CC(=O)N1	REAL250005048141	0	34	-1.0	-59.34	298.20	-3.39	-62.73
COC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005048142	0	37	-1.0	-48.57	308.53	-0.51	-49.08
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005048143	0	34	-1.0	-51.03	299.87	0.84	-50.19
C=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048144	0	30	-1.0	-51.05	265.11	-0.35	-51.40
O=C(N[C@@H]1CCN(C(=O)C2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005048145	0	34	-1.0	-54.08	299.68	-3.32	-57.40
O=C(N[C@@H]1CCN(C(=O)C2CC(F)C2)C1)C1=CC(=O)[N-]O1	REAL250005048146	0	36	-1.0	-49.35	309.59	1.42	-47.93
O=C(N[C@@H]1CCN(C(=O)C2=CC=NO2)C1)C1=CC(=O)[N-]O1	REAL250005048147	0	32	-1.0	-48.25	287.40	-0.35	-48.60
CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048148	0	35	-1.0	-50.40	286.34	1.65	-48.75
COCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048149	0	39	-1.0	-49.48	320.02	0.72	-48.76
CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048150	0	32	-1.0	-50.52	264.78	0.79	-49.73
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC2)C1	REAL250005048151	0	36	-1.0	-49.81	296.33	2.38	-47.43
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC2)C1	REAL250005048152	0	39	-1.0	-49.75	312.92	2.90	-46.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC2)C1	REAL250005048153	0	39	-1.0	-50.53	317.29	3.18	-47.35
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)F)C1	REAL250005048154	0	38	-1.0	-47.38	305.47	2.04	-45.34
COCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048155	0	36	-1.0	-53.45	299.07	1.05	-52.40
CCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048156	0	38	-1.0	-50.20	307.84	2.41	-47.79
CC(C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048157	0	41	-1.0	-49.72	324.57	3.00	-46.72
CC1CC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048158	0	39	-1.0	-49.64	316.64	3.06	-46.58
CCOCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048159	0	39	-1.0	-53.44	320.92	2.00	-51.44
CC(C)=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048160	0	39	-1.0	-49.46	315.52	2.94	-46.52
CSCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048161	0	36	-1.0	-52.48	309.41	2.09	-50.39
CCCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048162	0	41	-1.0	-50.31	329.34	3.19	-47.12
CC(C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048163	0	38	-1.0	-50.39	302.53	2.12	-48.27
CCC(C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048164	0	41	-1.0	-50.05	324.49	2.79	-47.26
COC(C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048165	0	39	-1.0	-53.71	314.70	1.56	-52.15
C=CCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048166	0	39	-1.0	-49.64	319.97	2.99	-46.65
CC=C(C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048167	0	39	-1.0	-45.47	307.45	2.49	-42.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C)CC2)C1	REAL250005048168	0	39	-1.0	-49.63	314.13	2.71	-46.92
C[C@@H]1C[C@H]1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048169	0	39	-1.0	-49.93	317.46	3.08	-46.85
CCC(F)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048170	0	38	-1.0	-50.12	311.84	2.41	-47.71
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCF)C1	REAL250005048171	0	38	-1.0	-53.10	314.43	2.55	-50.55
C[C@H]1C[C@@H]1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048172	0	39	-1.0	-49.69	318.06	3.06	-46.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(N)=O)C1	REAL250005048173	0	33	-1.0	-46.76	278.99	-3.04	-49.80
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)C)C1	REAL250005048174	0	41	-1.0	-50.44	314.65	2.30	-48.14
C=CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048175	0	36	-1.0	-50.48	299.25	2.19	-48.29
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+](C)C)C1	REAL250005048176	0	41	0.0	-73.96	321.93	2.34	-71.62
CN(C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048176	1	40	-1.0	-50.68	319.85	-0.05	-50.73
C=CC(O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048177	0	37	-1.0	-49.91	304.14	-0.10	-50.01
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2COC2)C1	REAL250005048178	0	37	-1.0	-50.49	303.57	0.12	-50.37
CO[C@H](C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048179	0	39	-1.0	-48.29	314.41	1.51	-46.78
CCC=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048180	0	39	-1.0	-49.52	319.42	2.98	-46.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)C1	REAL250005048182	0	33	-1.0	-55.24	276.82	-1.24	-56.48
CC(O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048183	0	36	-1.0	-51.37	292.68	-0.62	-51.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC2F)C1	REAL250005048184	0	36	-1.0	-49.26	303.01	2.47	-46.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCF)C1	REAL250005048185	0	35	-1.0	-49.06	292.94	1.79	-47.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=CCF)C1	REAL250005048186	0	36	-1.0	-51.77	304.51	2.33	-49.44
C#CCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048187	0	37	-1.0	-49.95	313.63	2.92	-47.03
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCO2)C1	REAL250005048188	0	37	-1.0	-55.30	301.93	1.16	-54.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)O)C1	REAL250005048189	0	39	-1.0	-47.51	311.41	-0.85	-48.36
CC1=CC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048190	0	37	-1.0	-50.31	311.48	3.10	-47.21
C[C@@H](O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048191	0	36	-1.0	-49.66	292.59	-0.64	-50.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=CCO)C1	REAL250005048192	0	37	-1.0	-53.10	309.43	-1.15	-54.25
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CCC2)C1	REAL250005048193	0	37	-1.0	-51.27	302.65	2.75	-48.52
CON=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048194	0	36	-1.0	-51.87	308.08	0.16	-51.71
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(F)CC2)C1	REAL250005048195	0	36	-1.0	-45.97	299.03	2.31	-43.66
CC=C(F)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048196	0	36	-1.0	-46.76	301.66	2.16	-44.60
CC(CO)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048197	0	39	-1.0	-49.05	311.44	-1.28	-50.33
C[C@H](O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048198	0	36	-1.0	-54.29	292.53	-0.72	-55.01
C=C1CC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048199	0	37	-1.0	-49.57	308.84	2.96	-46.61
CC(CF)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048200	0	38	-1.0	-48.58	311.10	2.26	-46.32
C=C(C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048201	0	39	-1.0	-50.06	320.87	2.84	-47.22
CC=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048202	0	36	-1.0	-50.20	299.18	2.22	-47.98
C[C@@H]1C[C@H]1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048203	0	39	-1.0	-49.93	317.46	3.08	-46.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(O)CC2)C1	REAL250005048204	0	37	-1.0	-47.04	307.64	-1.12	-48.16
CN(C(=O)CC1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048205	0	39	-1.0	-49.82	317.03	3.14	-46.68
CN(C(=O)C(C)(C)F)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048206	0	38	-1.0	-46.15	306.39	2.00	-44.15
COCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048207	0	36	-1.0	-50.32	297.76	0.98	-49.34
CCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048208	0	38	-1.0	-47.21	306.54	2.37	-44.84
CC(C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048209	0	41	-1.0	-46.89	323.27	2.96	-43.93
CC1CC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048210	0	39	-1.0	-48.85	311.61	3.05	-45.80
CCOCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048211	0	39	-1.0	-50.32	319.62	1.94	-48.38
CC(C)=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048212	0	39	-1.0	-46.55	313.65	2.90	-43.65
CSCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048213	0	36	-1.0	-49.52	308.11	2.05	-47.47
CCCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048214	0	41	-1.0	-47.26	328.04	3.15	-44.11
CC(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048215	0	38	-1.0	-47.16	302.70	2.02	-45.14
CCC(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048216	0	41	-1.0	-46.99	321.02	2.67	-44.32
COC(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048217	0	39	-1.0	-50.08	312.44	1.44	-48.64
C=CCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048218	0	39	-1.0	-47.08	319.35	2.93	-44.15
CC(C#N)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048219	0	36	-1.0	-53.94	302.29	1.66	-52.28
CC=C(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048220	0	39	-1.0	-47.38	313.94	2.58	-44.80
CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048221	0	35	-1.0	-49.67	285.86	1.62	-48.05
COCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048222	0	39	-1.0	-46.96	318.72	0.67	-46.29
CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048223	0	32	-1.0	-49.86	264.96	0.79	-49.07
CN(C(=O)C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048224	0	36	-1.0	-47.39	295.19	2.33	-45.06
CN(C(=O)C1CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048225	0	39	-1.0	-49.39	312.39	2.85	-46.54
CN(C(=O)C(N)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048226	0	33	-1.0	-50.10	276.67	-2.94	-53.04
CN(C(=O)C(C)(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048227	0	41	-1.0	-46.56	312.13	2.13	-44.43
CN(C(=O)C1(C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048228	0	39	-1.0	-47.39	312.69	2.66	-44.73
C[C@@H]1C[C@H]1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048229	0	39	-1.0	-49.32	317.18	3.00	-46.32
CCC(F)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048230	0	38	-1.0	-47.86	311.84	2.37	-45.49
CN(C(=O)CCCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048231	0	38	-1.0	-50.00	313.13	2.51	-47.49
C[C@H]1C[C@@H]1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048232	0	39	-1.0	-49.25	317.90	3.00	-46.25
CN(C(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048233	0	33	-1.0	-51.96	275.51	-1.31	-53.27
CN(C(=O)C1CCO1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048234	0	37	-1.0	-53.33	300.25	1.00	-52.33
CN(C(=O)C1COC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048235	0	37	-1.0	-47.73	301.10	0.06	-47.67
CN(C(=O)C=CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048236	0	37	-1.0	-50.42	308.90	-1.16	-51.58
CCC=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048237	0	39	-1.0	-47.15	318.88	2.96	-44.19
C#CCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048238	0	37	-1.0	-47.41	312.32	2.89	-44.52
C=CC(O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048239	0	37	-1.0	-47.32	304.77	-0.21	-47.53
CC(O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048240	0	36	-1.0	-48.26	290.73	-0.76	-49.02
CC(=O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048241	0	34	-1.0	-44.97	284.95	0.80	-44.17
CN(C(=O)C1(F)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048242	0	36	-1.0	-45.69	299.53	2.32	-43.37
CC=C(F)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048243	0	36	-1.0	-44.91	301.49	2.21	-42.70
CC(CO)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048244	0	39	-1.0	-47.10	310.26	-1.31	-48.41
CN(C(=O)C1(O)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048245	0	37	-1.0	-47.62	307.69	-1.12	-48.74
CN(C(=O)C1=CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048246	0	37	-1.0	-50.58	302.24	2.76	-47.82
CC(CF)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048247	0	38	-1.0	-46.13	305.47	2.10	-44.03
CC=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048248	0	36	-1.0	-47.36	297.80	2.20	-45.16
CN(C(=O)C=CCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048249	0	36	-1.0	-49.13	303.98	2.32	-46.81
C[C@H](O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048251	0	36	-1.0	-48.19	292.09	-0.77	-48.96
CON=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048252	0	36	-1.0	-57.70	305.15	0.20	-57.50
C[C@@H]1C[C@H]1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048253	0	39	-1.0	-49.32	317.18	3.00	-46.32
CN(C(=O)C(C)(C)O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048254	0	39	-1.0	-50.67	303.34	-0.55	-51.22
C=C(C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048255	0	39	-1.0	-47.30	319.30	2.79	-44.51
C=CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048256	0	36	-1.0	-47.47	297.95	2.14	-45.33
CN(C(=O)C[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048257	0	41	0.0	-72.59	320.63	2.28	-70.31
CN(C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048257	1	40	-1.0	-47.72	318.55	-0.11	-47.83
CN(C(=O)CC#N)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048258	0	33	-1.0	-56.13	284.51	1.28	-54.85
CN(C(=O)C1CC1F)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048259	0	36	-1.0	-48.69	303.33	2.41	-46.28
CN(C(=O)CCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048260	0	35	-1.0	-46.67	291.63	1.74	-44.93
CO[C@H](C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048261	0	39	-1.0	-48.39	314.64	1.42	-46.97
C[C@@H](O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048262	0	36	-1.0	-48.26	290.73	-0.76	-49.02
C=C1CC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048263	0	37	-1.0	-49.22	309.94	2.92	-46.30
CC1=CC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048264	0	37	-1.0	-49.84	311.61	3.03	-46.81
C=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048265	0	33	-1.0	-54.34	274.53	1.39	-52.95
CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048266	0	35	-1.0	-48.50	276.46	2.18	-46.32
COCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048267	0	39	-1.0	-47.97	312.76	1.60	-46.37
CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048268	0	32	-1.0	-44.82	256.49	1.67	-43.15
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC2)CC1	REAL250005048269	0	36	-1.0	-48.72	286.69	2.91	-45.81
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC2)CC1	REAL250005048270	0	39	-1.0	-55.28	301.37	3.37	-51.91
O=C(CC1CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048271	0	39	-1.0	-55.68	307.44	3.73	-51.95
CC(C)(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048272	0	38	-1.0	-45.00	296.12	2.88	-42.12
COCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048273	0	36	-1.0	-51.62	291.81	1.93	-49.69
CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048274	0	38	-1.0	-48.74	300.58	3.30	-45.44
CC(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048275	0	41	-1.0	-48.29	314.68	3.54	-44.75
CC1CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048276	0	39	-1.0	-48.19	310.63	3.94	-44.25
CCOCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048277	0	39	-1.0	-51.61	313.66	2.89	-48.72
CC(C)=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048278	0	39	-1.0	-47.59	307.52	3.82	-43.77
CSCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048279	0	36	-1.0	-50.75	302.15	2.99	-47.76
CCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048280	0	41	-1.0	-48.89	322.08	4.08	-44.81
CC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048281	0	38	-1.0	-48.20	294.63	2.95	-45.25
CCC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048282	0	41	-1.0	-47.95	308.75	3.44	-44.51
COC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048283	0	39	-1.0	-50.76	307.23	2.38	-48.38
C=CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048284	0	39	-1.0	-48.63	313.39	3.85	-44.78
CC=C(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048285	0	39	-1.0	-47.70	310.81	3.63	-44.07
CC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005048286	0	39	-1.0	-47.73	302.30	3.46	-44.27
C[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048287	0	39	-1.0	-55.46	308.11	3.58	-51.88
CCC(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048288	0	38	-1.0	-43.93	303.77	3.24	-40.69
O=C(CCCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048289	0	38	-1.0	-51.92	307.18	3.44	-48.48
C[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048290	0	39	-1.0	-55.90	309.18	3.64	-52.26
NC(=O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048291	0	33	-1.0	-44.81	268.78	-2.10	-46.91
CC(C)(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048292	0	41	-1.0	-48.67	302.31	2.69	-45.98
C=CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048293	0	36	-1.0	-49.00	292.00	3.07	-45.93
C[NH+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048294	0	41	0.0	-52.45	312.04	2.84	-49.61
CN(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048294	1	40	-1.0	-48.97	312.59	0.82	-48.15
C=CC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048295	0	37	-1.0	-48.16	291.48	0.51	-47.65
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2COC2)CC1	REAL250005048296	0	37	-1.0	-48.79	293.73	0.93	-47.86
CO[C@H](C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048297	0	39	-1.0	-56.67	306.91	2.13	-54.54
CCC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048298	0	39	-1.0	-48.24	312.67	3.88	-44.36
O=C(CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048300	0	33	-1.0	-53.59	269.56	-0.36	-53.95
CC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048301	0	36	-1.0	-52.45	281.09	0.04	-52.41
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC2F)CC1	REAL250005048302	0	36	-1.0	-47.52	295.44	3.36	-44.16
O=C(CCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048303	0	35	-1.0	-47.87	285.68	2.67	-45.20
O=C(C=CCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048304	0	36	-1.0	-50.59	297.77	3.24	-47.35
C#CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048305	0	37	-1.0	-48.52	306.37	3.80	-44.72
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCO2)CC1	REAL250005048306	0	37	-1.0	-52.90	293.39	1.60	-51.30
CC(C)(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048307	0	39	-1.0	-52.17	292.67	0.35	-51.82
CC1=CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048308	0	37	-1.0	-56.33	301.78	3.63	-52.70
C[C@@H](O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048309	0	36	-1.0	-55.34	284.84	-0.09	-55.43
O=C(C=CCO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048310	0	37	-1.0	-51.78	302.69	-0.24	-52.02
O=C(C1=CCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048311	0	37	-1.0	-61.99	288.56	3.14	-58.85
CON=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048312	0	36	-1.0	-49.60	300.48	1.07	-48.53
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(F)CC2)CC1	REAL250005048313	0	36	-1.0	-43.34	287.54	3.07	-40.27
CC=C(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048314	0	36	-1.0	-43.16	291.72	3.02	-40.14
CC(CO)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048315	0	39	-1.0	-47.51	303.10	-0.39	-47.90
C[C@H](O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048316	0	36	-1.0	-52.55	281.04	-0.23	-52.78
C=C1CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048317	0	37	-1.0	-47.96	302.83	3.84	-44.12
CC(CF)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048318	0	38	-1.0	-46.62	296.72	2.92	-43.70
C=C(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048319	0	39	-1.0	-48.62	313.61	3.73	-44.89
CC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048320	0	36	-1.0	-48.48	291.58	3.12	-45.36
C[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048321	0	39	-1.0	-55.46	308.11	3.58	-51.88
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(O)CC2)CC1	REAL250005048322	0	37	-1.0	-46.54	294.48	0.27	-46.27
O=C(CC1CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048323	0	39	-1.0	-55.68	307.44	3.73	-51.95
CC(C)(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048324	0	38	-1.0	-45.00	296.12	2.88	-42.12
COCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048325	0	36	-1.0	-51.62	291.81	1.93	-49.69
CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048326	0	38	-1.0	-48.74	300.58	3.30	-45.44
CC(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048327	0	41	-1.0	-48.29	314.68	3.54	-44.75
CC1CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048328	0	39	-1.0	-48.19	310.63	3.94	-44.25
CCOCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048329	0	39	-1.0	-51.61	313.66	2.89	-48.72
CC(C)=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048330	0	39	-1.0	-47.59	307.52	3.82	-43.77
CSCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048331	0	36	-1.0	-50.75	302.15	2.99	-47.76
CCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048332	0	41	-1.0	-48.89	322.08	4.08	-44.81
CC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048333	0	38	-1.0	-48.20	294.63	2.95	-45.25
CCC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048334	0	41	-1.0	-47.95	308.75	3.44	-44.51
COC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048335	0	39	-1.0	-50.76	307.23	2.38	-48.38
C=CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048336	0	39	-1.0	-48.63	313.39	3.85	-44.78
CC(C#N)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048337	0	36	-1.0	-55.21	290.36	2.42	-52.79
CC=C(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048338	0	39	-1.0	-47.70	310.81	3.63	-44.07
CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048339	0	35	-1.0	-48.50	276.46	2.18	-46.32
COCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048340	0	39	-1.0	-47.97	312.76	1.60	-46.37
CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048341	0	32	-1.0	-44.82	256.49	1.67	-43.15
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC2)CC1	REAL250005048342	0	36	-1.0	-48.72	286.69	2.91	-45.81
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC2)CC1	REAL250005048343	0	39	-1.0	-55.28	301.37	3.37	-51.91
NC(=O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048344	0	33	-1.0	-44.81	268.78	-2.10	-46.91
CC(C)(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048345	0	41	-1.0	-48.67	302.31	2.69	-45.98
CC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005048346	0	39	-1.0	-47.73	302.30	3.46	-44.27
C[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048347	0	39	-1.0	-55.46	308.11	3.58	-51.88
CCC(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048348	0	38	-1.0	-43.93	303.77	3.24	-40.69
O=C(CCCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048349	0	38	-1.0	-51.92	307.18	3.44	-48.48
C[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048350	0	39	-1.0	-55.90	309.18	3.64	-52.26
O=C(CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048351	0	33	-1.0	-53.59	269.56	-0.36	-53.95
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCO2)CC1	REAL250005048352	0	37	-1.0	-52.90	293.39	1.60	-51.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2COC2)CC1	REAL250005048353	0	37	-1.0	-48.79	293.73	0.93	-47.86
O=C(C=CCO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048354	0	37	-1.0	-51.78	302.69	-0.24	-52.02
CCC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048355	0	39	-1.0	-48.24	312.67	3.88	-44.36
C#CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048356	0	37	-1.0	-48.52	306.37	3.80	-44.72
C=CC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048357	0	37	-1.0	-48.16	291.48	0.51	-47.65
CC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048358	0	36	-1.0	-52.45	281.09	0.04	-52.41
CC(=O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048359	0	34	-1.0	-43.73	276.16	1.70	-42.03
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(F)CC2)CC1	REAL250005048360	0	36	-1.0	-43.34	287.54	3.07	-40.27
CC=C(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048361	0	36	-1.0	-43.16	291.72	3.02	-40.14
CC(CO)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048362	0	39	-1.0	-47.51	303.10	-0.39	-47.90
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(O)CC2)CC1	REAL250005048363	0	37	-1.0	-46.54	294.48	0.27	-46.27
O=C(C1=CCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048364	0	37	-1.0	-61.99	288.56	3.14	-58.85
CC(CF)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048365	0	38	-1.0	-46.62	296.72	2.92	-43.70
CC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048366	0	36	-1.0	-48.48	291.58	3.12	-45.36
O=C(C=CCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048367	0	36	-1.0	-50.59	297.77	3.24	-47.35
C[C@H](O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048369	0	36	-1.0	-52.55	281.04	-0.23	-52.78
CON=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048370	0	36	-1.0	-49.60	300.48	1.07	-48.53
C[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048371	0	39	-1.0	-55.46	308.11	3.58	-51.88
CC(C)(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048372	0	39	-1.0	-52.17	292.67	0.35	-51.82
C=C(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048373	0	39	-1.0	-48.62	313.61	3.73	-44.89
C=CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048374	0	36	-1.0	-49.00	292.00	3.07	-45.93
C[NH+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048375	0	41	0.0	-52.45	312.04	2.84	-49.61
CN(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048375	1	40	-1.0	-48.97	312.59	0.82	-48.15
N#CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048376	0	33	-1.0	-58.63	278.55	2.21	-56.42
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC2F)CC1	REAL250005048377	0	36	-1.0	-47.52	295.44	3.36	-44.16
O=C(CCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048378	0	35	-1.0	-47.87	285.68	2.67	-45.20
CO[C@H](C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048379	0	39	-1.0	-56.67	306.91	2.13	-54.54
C[C@@H](O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048380	0	36	-1.0	-55.34	284.84	-0.09	-55.43
C=C1CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048381	0	37	-1.0	-47.96	302.83	3.84	-44.12
CC1=CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048382	0	37	-1.0	-56.33	301.78	3.63	-52.70
C=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048383	0	33	-1.0	-48.83	269.86	2.24	-46.59
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048384	0	35	-1.0	-46.11	289.72	0.81	-45.30
COCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048385	0	39	-1.0	-45.92	323.39	-0.12	-46.04
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048386	0	32	-1.0	-49.15	268.46	-0.03	-49.18
O=C(NC1CCN(C(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005048387	0	36	-1.0	-48.58	299.48	1.53	-47.05
O=C(NC1CCN(C(=O)C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005048388	0	39	-1.0	-45.67	316.00	2.04	-43.63
O=C(CC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048389	0	39	-1.0	-46.12	320.66	2.35	-43.77
CC(C)(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048390	0	38	-1.0	-45.06	310.27	1.20	-43.86
COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048391	0	36	-1.0	-48.89	302.44	0.20	-48.69
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048392	0	38	-1.0	-45.85	311.22	1.58	-44.27
CC(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048393	0	41	-1.0	-45.43	327.94	2.18	-43.25
CC1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048394	0	39	-1.0	-45.25	315.57	2.24	-43.01
CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048395	0	39	-1.0	-48.85	324.29	1.16	-47.69
CC(C)=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048396	0	39	-1.0	-47.72	318.28	2.07	-45.65
CSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048397	0	36	-1.0	-48.03	312.78	1.28	-46.75
CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048398	0	41	-1.0	-45.93	332.72	2.36	-43.57
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048399	0	38	-1.0	-45.78	307.55	1.24	-44.54
CCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048400	0	41	-1.0	-45.61	326.20	1.88	-43.73
COC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048401	0	39	-1.0	-51.62	318.55	0.66	-50.96
C=CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048402	0	39	-1.0	-45.77	324.03	2.14	-43.63
CC=C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048403	0	39	-1.0	-45.85	322.93	1.92	-43.93
CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005048404	0	39	-1.0	-45.81	319.60	1.89	-43.92
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048405	0	39	-1.0	-45.86	320.82	2.19	-43.67
CCC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048406	0	38	-1.0	-46.49	316.34	1.57	-44.92
O=C(CCCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048407	0	38	-1.0	-48.38	317.81	1.71	-46.67
C[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048408	0	39	-1.0	-45.85	320.89	2.20	-43.65
NC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048409	0	33	-1.0	-45.56	282.53	-4.00	-49.56
CC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048410	0	41	-1.0	-45.57	319.38	1.47	-44.10
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048411	0	36	-1.0	-46.22	302.58	1.34	-44.88
C[NH+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048412	0	41	0.0	-69.72	325.31	1.48	-68.24
CN(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048412	1	40	-1.0	-46.31	323.22	-0.91	-47.22
C=CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048413	0	37	-1.0	-48.81	306.94	-0.84	-49.65
O=C(NC1CCN(C(=O)C2COC2)CC1)C1=CC(=O)[N-]O1	REAL250005048414	0	37	-1.0	-46.45	306.43	-0.74	-47.19
CO[C@H](C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048415	0	39	-1.0	-48.47	317.78	0.63	-47.84
CCC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048416	0	39	-1.0	-46.07	323.32	2.14	-43.93
O=C(CO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048418	0	33	-1.0	-50.47	280.19	-2.09	-52.56
CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048419	0	36	-1.0	-49.38	296.80	-1.55	-50.93
O=C(NC1CCN(C(=O)C2CC2F)CC1)C1=CC(=O)[N-]O1	REAL250005048420	0	36	-1.0	-45.62	306.22	1.61	-44.01
O=C(CCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048421	0	35	-1.0	-45.50	296.31	0.95	-44.55
O=C(C=CCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048422	0	36	-1.0	-48.02	308.41	1.49	-46.53
C#CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048423	0	37	-1.0	-46.13	317.00	2.09	-44.04
O=C(NC1CCN(C(=O)C2CCO2)CC1)C1=CC(=O)[N-]O1	REAL250005048424	0	37	-1.0	-49.82	305.50	0.31	-49.51
CC(C)(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048425	0	39	-1.0	-46.41	314.08	-1.75	-48.16
CC1=CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048426	0	37	-1.0	-46.62	314.51	2.25	-44.37
C[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048427	0	36	-1.0	-46.82	296.07	-1.57	-48.39
O=C(C=CCO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048428	0	37	-1.0	-49.32	313.33	-1.98	-51.30
O=C(NC1CCN(C(=O)C2=CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005048429	0	37	-1.0	-46.95	305.47	1.86	-45.09
CON=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048430	0	36	-1.0	-48.38	311.11	-0.68	-49.06
O=C(NC1CCN(C(=O)C2(F)CC2)CC1)C1=CC(=O)[N-]O1	REAL250005048431	0	36	-1.0	-44.49	304.18	1.51	-42.98
CC=C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048432	0	36	-1.0	-45.45	307.03	1.37	-44.08
CC(CO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048433	0	39	-1.0	-45.93	319.40	-1.99	-47.92
C[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048434	0	36	-1.0	-49.38	296.80	-1.55	-50.93
C=C1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048435	0	37	-1.0	-48.26	313.04	2.10	-46.16
CC(CF)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048436	0	38	-1.0	-45.17	315.16	1.42	-43.75
C=C(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048437	0	39	-1.0	-45.88	324.20	1.99	-43.89
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048438	0	36	-1.0	-46.27	302.23	1.38	-44.89
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048439	0	39	-1.0	-45.86	320.82	2.19	-43.67
O=C(NC1CCN(C(=O)C2(O)CC2)CC1)C1=CC(=O)[N-]O1	REAL250005048440	0	37	-1.0	-45.18	311.21	-1.84	-47.02
O=C(CC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048441	0	39	-1.0	-48.07	317.41	2.01	-46.06
CC(C)(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048442	0	38	-1.0	-47.30	312.93	1.14	-46.16
COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048443	0	36	-1.0	-51.07	299.19	-0.17	-51.24
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048444	0	38	-1.0	-47.87	307.97	1.23	-46.64
CC(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048445	0	41	-1.0	-47.45	324.70	1.83	-45.62
CC1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048446	0	39	-1.0	-47.73	318.37	1.91	-45.82
CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048447	0	39	-1.0	-51.07	321.05	0.79	-50.28
CC(C)=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048448	0	39	-1.0	-46.62	315.03	1.46	-45.16
CSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048449	0	36	-1.0	-50.26	309.54	0.89	-49.37
CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048450	0	41	-1.0	-47.89	329.47	2.01	-45.88
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048451	0	38	-1.0	-47.65	306.02	1.14	-46.51
CCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048452	0	41	-1.0	-45.73	324.21	1.82	-43.91
COC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048453	0	39	-1.0	-48.72	319.05	0.58	-48.14
C=CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048454	0	39	-1.0	-47.93	320.78	1.79	-46.14
CC(C#N)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048455	0	36	-1.0	-52.64	305.51	0.79	-51.85
CC=C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048456	0	39	-1.0	-46.20	314.85	1.81	-44.39
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048457	0	35	-1.0	-46.22	286.54	0.50	-45.72
COCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048458	0	39	-1.0	-47.78	320.15	-0.46	-48.24
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048459	0	32	-1.0	-48.39	266.56	-0.21	-48.60
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005048460	0	36	-1.0	-47.79	296.99	1.25	-46.54
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL250005048461	0	39	-1.0	-47.60	313.21	1.75	-45.85
NC(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048462	0	33	-1.0	-47.13	281.82	-4.19	-51.32
CC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048463	0	41	-1.0	-45.63	324.97	1.73	-43.90
CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005048464	0	39	-1.0	-45.91	315.10	1.99	-43.92
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048465	0	39	-1.0	-46.08	318.75	2.06	-44.02
CCC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048466	0	38	-1.0	-47.74	314.24	1.28	-46.46
O=C(CCCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048467	0	38	-1.0	-50.57	314.56	1.37	-49.20
C[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048468	0	39	-1.0	-47.74	318.37	1.92	-45.82
O=C(CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048469	0	33	-1.0	-52.62	276.94	-2.45	-55.07
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCO1	REAL250005048470	0	37	-1.0	-49.06	305.42	0.12	-48.94
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1COC1	REAL250005048471	0	37	-1.0	-48.41	303.83	-1.03	-49.44
O=C(C=CCO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048472	0	37	-1.0	-51.48	311.15	-2.27	-53.75
CCC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048473	0	39	-1.0	-47.89	321.13	1.86	-46.03
C#CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048474	0	37	-1.0	-48.13	313.75	1.75	-46.38
C=CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048475	0	37	-1.0	-47.97	307.83	-0.95	-48.92
CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048476	0	36	-1.0	-47.00	297.34	-1.65	-48.65
CC(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048477	0	34	-1.0	-45.01	288.29	-0.37	-45.38
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CC1	REAL250005048478	0	36	-1.0	-44.67	303.54	1.45	-43.22
CC=C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048479	0	36	-1.0	-45.77	305.01	1.16	-44.61
CC(CO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048480	0	39	-1.0	-46.17	316.67	-2.12	-48.29
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CC1	REAL250005048481	0	37	-1.0	-45.93	305.66	-1.68	-47.61
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCC1	REAL250005048482	0	37	-1.0	-48.60	307.47	1.82	-46.78
CC(CF)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048483	0	38	-1.0	-45.21	311.88	1.29	-43.92
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048484	0	36	-1.0	-48.00	300.05	1.09	-46.91
O=C(C=CCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048485	0	36	-1.0	-50.16	306.23	1.21	-48.95
C[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048487	0	36	-1.0	-46.84	297.34	-1.64	-48.48
CON=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048488	0	36	-1.0	-50.66	308.93	-0.95	-51.61
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048489	0	39	-1.0	-46.08	318.75	2.06	-44.02
CC(C)(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048490	0	39	-1.0	-46.24	316.95	-2.11	-48.35
C=C(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048491	0	39	-1.0	-47.81	321.03	1.67	-46.14
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048492	0	36	-1.0	-48.21	299.38	1.01	-47.20
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048493	0	41	0.0	-71.01	322.06	1.19	-69.82
CN(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048493	1	40	-1.0	-48.42	319.98	-1.19	-49.61
N#CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048494	0	33	-1.0	-56.88	285.94	0.15	-56.73
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1F	REAL250005048495	0	36	-1.0	-50.82	303.20	1.30	-49.52
O=C(CCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048496	0	35	-1.0	-47.39	293.06	0.61	-46.78
CO[C@H](C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048497	0	39	-1.0	-50.96	318.98	0.54	-50.42
C[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048498	0	36	-1.0	-48.37	297.27	-1.67	-50.04
C=C1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048499	0	37	-1.0	-47.85	310.56	1.81	-46.04
CC1=CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048500	0	37	-1.0	-46.80	312.38	2.10	-44.70
C=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048501	0	33	-1.0	-48.14	278.32	0.21	-47.93
CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048502	0	38	-1.0	-47.34	309.43	1.53	-45.81
CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048503	0	35	-1.0	-49.86	287.41	0.67	-49.19
O=C(NCC1CCN(C(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005048504	0	39	-1.0	-47.28	319.40	2.25	-45.03
COCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048505	0	39	-1.0	-52.77	322.19	0.90	-51.87
CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048506	0	41	-1.0	-47.13	330.93	2.30	-44.83
CC(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048507	0	41	-1.0	-46.95	328.66	2.04	-44.91
NC(=O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048508	0	36	-1.0	-46.48	302.23	-3.29	-49.77
C=CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048509	0	39	-1.0	-47.44	322.37	2.06	-45.38
O=C(CO)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048510	0	36	-1.0	-54.50	299.94	-1.39	-55.89
CC(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048511	0	39	-1.0	-54.21	316.70	-0.85	-55.06
O=C(CCF)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048512	0	38	-1.0	-46.61	316.03	1.67	-44.94
C[C@@H](O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048513	0	39	-1.0	-48.38	315.79	-0.85	-49.23
C[C@H](O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048514	0	39	-1.0	-50.42	316.51	-0.83	-51.25
CC=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048515	0	39	-1.0	-49.74	321.93	2.11	-47.63
COCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048516	0	39	-1.0	-53.11	319.29	0.70	-52.41
CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048517	0	41	-1.0	-49.79	328.06	2.10	-47.69
CC(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048518	0	41	-1.0	-49.78	325.74	1.86	-47.92
CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048519	0	38	-1.0	-50.02	306.57	1.34	-48.68
CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048520	0	35	-1.0	-50.51	285.90	0.38	-50.13
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005048521	0	39	-1.0	-50.00	316.70	1.97	-48.03
NC(=O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048522	0	36	-1.0	-49.20	301.91	-3.33	-52.53
O=C(CO)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048523	0	36	-1.0	-54.69	297.04	-1.58	-56.27
CC(O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048524	0	39	-1.0	-50.48	317.37	-0.79	-51.27
CC(=O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048525	0	37	-1.0	-47.99	309.31	0.48	-47.51
CC=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048526	0	39	-1.0	-50.20	319.76	1.79	-48.41
C[C@H](O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048527	0	39	-1.0	-50.61	316.99	-0.94	-51.55
C=CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048528	0	39	-1.0	-50.22	319.48	1.88	-48.34
N#CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048529	0	36	-1.0	-58.90	306.03	1.01	-57.89
O=C(CCF)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048530	0	38	-1.0	-49.38	313.16	1.48	-47.90
C[C@@H](O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048531	0	39	-1.0	-51.34	316.99	-0.94	-52.28
C=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048532	0	36	-1.0	-50.20	298.41	1.05	-49.15
CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048533	0	35	-1.0	-54.30	289.69	0.79	-53.51
COCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048534	0	39	-1.0	-52.94	323.40	-0.13	-53.07
CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048535	0	32	-1.0	-54.48	268.38	-0.03	-54.51
O=C(NC1CCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005048536	0	36	-1.0	-49.91	299.67	1.53	-48.38
O=C(NC1CCCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005048537	0	39	-1.0	-49.82	316.00	2.04	-47.78
O=C(CC1CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048538	0	39	-1.0	-50.20	320.67	2.35	-47.85
CC(C)(F)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048539	0	38	-1.0	-46.74	309.62	1.19	-45.55
COCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048540	0	36	-1.0	-57.85	302.41	0.18	-57.67
CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048541	0	38	-1.0	-49.87	311.18	1.56	-48.31
CC(C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048542	0	41	-1.0	-49.48	327.91	2.17	-47.31
CC1CC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048543	0	39	-1.0	-49.15	315.36	2.23	-46.92
CCOCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048544	0	39	-1.0	-58.05	324.27	1.14	-56.91
CC(C)=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048545	0	39	-1.0	-53.29	318.31	2.08	-51.21
CSCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048546	0	36	-1.0	-56.88	312.75	1.26	-55.62
CCCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048547	0	41	-1.0	-49.94	332.69	2.34	-47.60
CC(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048548	0	38	-1.0	-49.51	308.58	1.30	-48.21
CCC(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048549	0	41	-1.0	-49.21	327.45	1.97	-47.24
COC(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048550	0	39	-1.0	-53.32	318.42	0.65	-52.67
C=CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048551	0	39	-1.0	-54.01	324.03	2.12	-51.89
CC=C(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048552	0	39	-1.0	-55.67	314.44	1.70	-53.97
CC1(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005048553	0	39	-1.0	-45.97	319.62	1.89	-44.08
C[C@@H]1C[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048554	0	39	-1.0	-49.85	320.87	2.21	-47.64
CCC(F)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048555	0	38	-1.0	-48.04	316.31	1.57	-46.47
O=C(CCCF)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048556	0	38	-1.0	-52.90	317.78	1.70	-51.20
C[C@H]1C[C@@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048557	0	39	-1.0	-49.83	320.86	2.21	-47.62
NC(=O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048558	0	33	-1.0	-48.24	282.11	-4.12	-52.36
CC(C)(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048559	0	41	-1.0	-49.50	317.95	1.41	-48.09
C=CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048560	0	36	-1.0	-54.38	302.60	1.33	-53.05
C[NH+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048561	0	41	0.0	-73.69	325.27	1.47	-72.22
CN(C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048561	1	40	-1.0	-54.49	323.23	-0.92	-55.41
C=CC(O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048562	0	37	-1.0	-54.58	308.14	-1.04	-55.62
O=C(NC1CCCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005048563	0	37	-1.0	-49.83	306.54	-0.70	-50.53
CO[C@H](C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048564	0	39	-1.0	-48.59	318.71	0.64	-47.95
CCC=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048565	0	39	-1.0	-54.22	323.25	2.13	-52.09
O=C(CO)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048567	0	33	-1.0	-59.73	280.16	-2.10	-61.83
CC(O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048568	0	36	-1.0	-48.00	296.92	-1.56	-49.56
O=C(NC1CCCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005048569	0	36	-1.0	-47.81	306.46	1.62	-46.19
O=C(CCF)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048570	0	35	-1.0	-52.22	296.31	0.94	-51.28
O=C(C=CCF)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048571	0	36	-1.0	-56.57	308.34	1.49	-55.08
C#CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048572	0	37	-1.0	-53.48	317.00	2.08	-51.40
O=C(NC1CCCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005048573	0	37	-1.0	-55.07	305.78	0.30	-54.77
CC(C)(O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048574	0	39	-1.0	-47.43	314.02	-1.77	-49.20
CC1=CC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048575	0	37	-1.0	-50.39	314.72	2.25	-48.14
C[C@@H](O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048576	0	36	-1.0	-50.91	296.08	-1.58	-52.49
O=C(C=CCO)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048577	0	37	-1.0	-58.24	313.26	-1.99	-60.23
O=C(NC1CCCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005048578	0	37	-1.0	-55.81	306.13	1.92	-53.89
CON=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048579	0	36	-1.0	-55.77	311.03	-0.68	-56.45
O=C(NC1CCCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005048580	0	36	-1.0	-44.56	306.29	1.54	-43.02
CC=C(F)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048581	0	36	-1.0	-49.86	306.98	1.37	-48.49
CC(CO)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048582	0	39	-1.0	-48.93	319.78	-1.99	-50.92
C[C@H](O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048583	0	36	-1.0	-50.08	296.86	-1.57	-51.65
C=C1CC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048584	0	37	-1.0	-49.61	313.03	2.09	-47.52
CC(CF)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048585	0	38	-1.0	-47.97	315.17	1.43	-46.54
C=C(C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048586	0	39	-1.0	-53.79	324.21	1.99	-51.80
CC=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048587	0	36	-1.0	-54.46	302.15	1.38	-53.08
C[C@@H]1C[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048588	0	39	-1.0	-49.85	320.87	2.21	-47.64
O=C(NC1CCCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005048589	0	37	-1.0	-48.26	306.65	-1.45	-49.71
O=C(CC1CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048590	0	39	-1.0	-54.57	317.81	2.16	-52.41
CC(C)(F)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048591	0	38	-1.0	-51.56	313.34	1.17	-50.39
COCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048592	0	36	-1.0	-58.04	299.25	-0.14	-58.18
CCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048593	0	38	-1.0	-54.15	308.09	1.28	-52.87
CC(C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048594	0	41	-1.0	-53.75	325.09	1.98	-51.77
CC1CC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048595	0	39	-1.0	-54.14	318.42	1.94	-52.20
CCOCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048596	0	39	-1.0	-58.19	321.10	0.82	-57.37
CC(C)=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048597	0	39	-1.0	-53.05	316.30	1.93	-51.12
CSCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048598	0	36	-1.0	-57.18	309.59	0.93	-56.25
CCCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048599	0	41	-1.0	-54.28	329.86	2.17	-52.11
CC(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048600	0	38	-1.0	-53.98	306.07	1.17	-52.81
CCC(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048601	0	41	-1.0	-53.97	324.54	1.94	-52.03
COC(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048602	0	39	-1.0	-57.96	319.37	0.70	-57.26
C=CCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048603	0	39	-1.0	-54.01	321.17	1.95	-52.06
CC(C#N)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048604	0	36	-1.0	-62.60	305.84	0.92	-61.68
CC=C(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048605	0	39	-1.0	-54.41	314.90	1.83	-52.58
CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048606	0	35	-1.0	-54.36	286.53	0.50	-53.86
COCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048607	0	39	-1.0	-53.34	320.53	-0.31	-53.65
CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048608	0	32	-1.0	-54.51	266.55	-0.19	-54.70
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005048609	0	36	-1.0	-54.01	297.38	1.38	-52.63
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005048610	0	39	-1.0	-54.12	313.54	1.89	-52.23
NC(=O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048611	0	33	-1.0	-49.61	282.20	-4.03	-53.64
CC(C)(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048612	0	41	-1.0	-53.95	325.29	1.87	-52.08
CC1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005048613	0	39	-1.0	-54.04	314.76	1.86	-52.18
C[C@@H]1C[C@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048614	0	39	-1.0	-54.03	318.50	1.95	-52.08
CCC(F)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048615	0	38	-1.0	-54.33	314.63	1.43	-52.90
O=C(CCCF)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048616	0	38	-1.0	-57.26	314.95	1.52	-55.74
C[C@H]1C[C@@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048617	0	39	-1.0	-54.04	318.75	2.05	-51.99
O=C(CO)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048618	0	33	-1.0	-59.77	276.99	-2.42	-62.19
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005048619	0	37	-1.0	-59.31	305.75	0.15	-59.16
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005048620	0	37	-1.0	-54.26	304.22	-0.87	-55.13
O=C(C=CCO)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048621	0	37	-1.0	-57.91	311.27	-2.22	-60.13
CCC=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048622	0	39	-1.0	-53.94	321.25	1.91	-52.03
C#CCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048623	0	37	-1.0	-53.83	314.14	1.90	-51.93
C=CC(O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048624	0	37	-1.0	-54.49	310.86	-0.98	-55.47
CC(O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048625	0	36	-1.0	-54.67	297.66	-1.51	-56.18
CC(=O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048626	0	34	-1.0	-49.04	288.85	-0.34	-49.38
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005048627	0	36	-1.0	-49.87	303.44	1.47	-48.40
CC=C(F)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048628	0	36	-1.0	-49.83	305.13	1.21	-48.62
CC(CO)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048629	0	39	-1.0	-53.20	316.73	-2.10	-55.30
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005048630	0	37	-1.0	-52.80	305.69	-1.67	-54.47
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005048631	0	37	-1.0	-54.91	307.34	1.91	-53.00
CC(CF)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048632	0	38	-1.0	-52.25	312.12	1.33	-50.92
CC=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048633	0	36	-1.0	-54.16	300.16	1.15	-53.01
O=C(C=CCF)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048634	0	36	-1.0	-56.32	306.35	1.26	-55.06
C[C@H](O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048636	0	36	-1.0	-59.32	297.73	-1.63	-60.95
CON=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048637	0	36	-1.0	-56.78	309.05	-0.89	-57.67
C[C@@H]1C[C@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048638	0	39	-1.0	-54.03	318.50	1.95	-52.08
CC(C)(O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048639	0	39	-1.0	-51.50	317.01	-2.08	-53.58
C=C(C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048640	0	39	-1.0	-54.17	320.79	1.69	-52.48
C=CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048641	0	36	-1.0	-54.38	299.44	1.04	-53.34
C[NH+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048642	0	41	0.0	-74.47	322.45	1.35	-73.12
CN(C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048642	1	40	-1.0	-54.72	320.37	-1.04	-55.76
N#CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048643	0	33	-1.0	-64.54	285.99	0.18	-64.36
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005048644	0	36	-1.0	-53.02	304.17	1.48	-51.54
O=C(CCF)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048645	0	35	-1.0	-52.78	293.45	0.76	-52.02
CO[C@H](C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048646	0	39	-1.0	-57.77	319.31	0.68	-57.09
C[C@@H](O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048647	0	36	-1.0	-55.05	297.39	-1.62	-56.67
C=C1CC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048648	0	37	-1.0	-53.91	310.93	1.96	-51.95
CC1=CC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048649	0	37	-1.0	-54.46	312.37	2.08	-52.38
C=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048650	0	33	-1.0	-54.28	278.71	0.36	-53.92
CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048651	0	38	-1.0	-50.02	306.57	1.34	-48.68
CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048652	0	35	-1.0	-50.51	285.90	0.38	-50.13
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005048653	0	39	-1.0	-50.00	316.70	1.97	-48.03
COCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048654	0	39	-1.0	-53.11	319.29	0.70	-52.41
CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048655	0	41	-1.0	-49.79	328.06	2.10	-47.69
CC(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048656	0	41	-1.0	-49.78	325.74	1.86	-47.92
NC(=O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048657	0	36	-1.0	-49.20	301.91	-3.33	-52.53
C=CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048658	0	39	-1.0	-50.22	319.48	1.88	-48.34
O=C(CO)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048659	0	36	-1.0	-54.69	297.04	-1.58	-56.27
CC(O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048660	0	39	-1.0	-50.48	317.37	-0.79	-51.27
O=C(CCF)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048661	0	38	-1.0	-49.38	313.16	1.48	-47.90
C[C@@H](O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048662	0	39	-1.0	-51.34	316.99	-0.94	-52.28
C[C@H](O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048663	0	39	-1.0	-50.61	316.99	-0.94	-51.55
CC=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048664	0	39	-1.0	-50.20	319.76	1.79	-48.41
COCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048665	0	39	-1.0	-52.77	322.19	0.90	-51.87
CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048666	0	41	-1.0	-47.13	330.93	2.30	-44.83
CC(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048667	0	41	-1.0	-46.95	328.66	2.04	-44.91
CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048668	0	38	-1.0	-47.34	309.43	1.53	-45.81
CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048669	0	35	-1.0	-49.86	287.41	0.67	-49.19
O=C(NCC1CCN(C(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005048670	0	39	-1.0	-47.28	319.40	2.25	-45.03
NC(=O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048671	0	36	-1.0	-46.48	302.23	-3.29	-49.77
O=C(CO)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048672	0	36	-1.0	-54.50	299.94	-1.39	-55.89
CC(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048673	0	39	-1.0	-54.21	316.70	-0.85	-55.06
CC(=O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048674	0	37	-1.0	-46.01	310.34	0.67	-45.34
CC=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048675	0	39	-1.0	-49.74	321.93	2.11	-47.63
C[C@H](O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048676	0	39	-1.0	-50.42	316.51	-0.83	-51.25
C=CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048677	0	39	-1.0	-47.44	322.37	2.06	-45.38
N#CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048678	0	36	-1.0	-58.28	308.93	1.20	-57.08
O=C(CCF)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048679	0	38	-1.0	-46.61	316.03	1.67	-44.94
C[C@@H](O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048680	0	39	-1.0	-48.38	315.79	-0.85	-49.23
C=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048681	0	36	-1.0	-49.88	300.21	1.23	-48.65
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048682	0	35	-1.0	-46.22	286.54	0.50	-45.72
COCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048683	0	39	-1.0	-47.78	320.15	-0.46	-48.24
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048684	0	32	-1.0	-48.39	266.56	-0.21	-48.60
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005048685	0	36	-1.0	-47.79	296.99	1.25	-46.54
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL250005048686	0	39	-1.0	-47.60	313.21	1.75	-45.85
O=C(CC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048687	0	39	-1.0	-48.07	317.41	2.01	-46.06
CC(C)(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048688	0	38	-1.0	-47.30	312.93	1.14	-46.16
COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048689	0	36	-1.0	-51.07	299.19	-0.17	-51.24
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048690	0	38	-1.0	-47.87	307.97	1.23	-46.64
CC(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048691	0	41	-1.0	-47.45	324.70	1.83	-45.62
CC1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048692	0	39	-1.0	-47.73	318.37	1.91	-45.82
CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048693	0	39	-1.0	-51.07	321.05	0.79	-50.28
CC(C)=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048694	0	39	-1.0	-46.62	315.03	1.46	-45.16
CSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048695	0	36	-1.0	-50.26	309.54	0.89	-49.37
CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048696	0	41	-1.0	-47.89	329.47	2.01	-45.88
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048697	0	38	-1.0	-47.65	306.02	1.14	-46.51
CCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048698	0	41	-1.0	-45.73	324.21	1.82	-43.91
COC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048699	0	39	-1.0	-48.72	319.05	0.58	-48.14
C=CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048700	0	39	-1.0	-47.93	320.78	1.79	-46.14
CC=C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048701	0	39	-1.0	-46.20	314.85	1.81	-44.39
CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005048702	0	39	-1.0	-45.91	315.10	1.99	-43.92
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048703	0	39	-1.0	-46.08	318.75	2.06	-44.02
CCC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048704	0	38	-1.0	-47.74	314.24	1.28	-46.46
O=C(CCCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048705	0	38	-1.0	-50.57	314.56	1.37	-49.20
C[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048706	0	39	-1.0	-47.74	318.37	1.92	-45.82
NC(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048707	0	33	-1.0	-47.13	281.82	-4.19	-51.32
CC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048708	0	41	-1.0	-45.63	324.97	1.73	-43.90
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048709	0	36	-1.0	-48.21	299.38	1.01	-47.20
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048710	0	41	0.0	-71.01	322.06	1.19	-69.82
CN(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048710	1	40	-1.0	-48.42	319.98	-1.19	-49.61
C=CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048711	0	37	-1.0	-47.97	307.83	-0.95	-48.92
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1COC1	REAL250005048712	0	37	-1.0	-48.41	303.83	-1.03	-49.44
CO[C@H](C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048713	0	39	-1.0	-50.96	318.98	0.54	-50.42
CCC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048714	0	39	-1.0	-47.89	321.13	1.86	-46.03
O=C(CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048716	0	33	-1.0	-52.62	276.94	-2.45	-55.07
CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048717	0	36	-1.0	-47.00	297.34	-1.65	-48.65
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1F	REAL250005048718	0	36	-1.0	-50.82	303.20	1.30	-49.52
O=C(CCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048719	0	35	-1.0	-47.39	293.06	0.61	-46.78
O=C(C=CCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048720	0	36	-1.0	-50.16	306.23	1.21	-48.95
C#CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048721	0	37	-1.0	-48.13	313.75	1.75	-46.38
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCO1	REAL250005048722	0	37	-1.0	-49.06	305.42	0.12	-48.94
CC(C)(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048723	0	39	-1.0	-46.24	316.95	-2.11	-48.35
CC1=CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048724	0	37	-1.0	-46.80	312.38	2.10	-44.70
C[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048725	0	36	-1.0	-48.37	297.27	-1.67	-50.04
O=C(C=CCO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048726	0	37	-1.0	-51.48	311.15	-2.27	-53.75
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCC1	REAL250005048727	0	37	-1.0	-48.60	307.47	1.82	-46.78
CON=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048728	0	36	-1.0	-50.66	308.93	-0.95	-51.61
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CC1	REAL250005048729	0	36	-1.0	-44.67	303.54	1.45	-43.22
CC=C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048730	0	36	-1.0	-45.77	305.01	1.16	-44.61
CC(CO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048731	0	39	-1.0	-46.17	316.67	-2.12	-48.29
C[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048732	0	36	-1.0	-46.84	297.34	-1.64	-48.48
C=C1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048733	0	37	-1.0	-47.85	310.56	1.81	-46.04
CC(CF)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048734	0	38	-1.0	-45.21	311.88	1.29	-43.92
C=C(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048735	0	39	-1.0	-47.81	321.03	1.67	-46.14
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048736	0	36	-1.0	-48.00	300.05	1.09	-46.91
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048737	0	39	-1.0	-46.08	318.75	2.06	-44.02
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CC1	REAL250005048738	0	37	-1.0	-45.93	305.66	-1.68	-47.61
O=C(CC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048739	0	39	-1.0	-46.12	320.66	2.35	-43.77
CC(C)(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048740	0	38	-1.0	-45.06	310.27	1.20	-43.86
COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048741	0	36	-1.0	-48.89	302.44	0.20	-48.69
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048742	0	38	-1.0	-45.85	311.22	1.58	-44.27
CC(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048743	0	41	-1.0	-45.43	327.94	2.18	-43.25
CC1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048744	0	39	-1.0	-45.25	315.57	2.24	-43.01
CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048745	0	39	-1.0	-48.85	324.29	1.16	-47.69
CC(C)=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048746	0	39	-1.0	-47.72	318.28	2.07	-45.65
CSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048747	0	36	-1.0	-48.03	312.78	1.28	-46.75
CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048748	0	41	-1.0	-45.93	332.72	2.36	-43.57
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048749	0	38	-1.0	-45.78	307.55	1.24	-44.54
CCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048750	0	41	-1.0	-45.61	326.20	1.88	-43.73
COC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048751	0	39	-1.0	-51.62	318.55	0.66	-50.96
C=CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048752	0	39	-1.0	-45.77	324.03	2.14	-43.63
CC(C#N)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048753	0	36	-1.0	-52.03	307.68	0.90	-51.13
CC=C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048754	0	39	-1.0	-45.85	322.93	1.92	-43.93
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048755	0	35	-1.0	-46.11	289.72	0.81	-45.30
COCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048756	0	39	-1.0	-45.92	323.39	-0.12	-46.04
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048757	0	32	-1.0	-49.15	268.46	-0.03	-49.18
O=C(NC1CCN(C(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005048758	0	36	-1.0	-48.58	299.48	1.53	-47.05
O=C(NC1CCN(C(=O)C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005048759	0	39	-1.0	-45.67	316.00	2.04	-43.63
NC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048760	0	33	-1.0	-45.56	282.53	-4.00	-49.56
CC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048761	0	41	-1.0	-45.57	319.38	1.47	-44.10
CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005048762	0	39	-1.0	-45.81	319.60	1.89	-43.92
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048763	0	39	-1.0	-45.86	320.82	2.19	-43.67
CCC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048764	0	38	-1.0	-46.49	316.34	1.57	-44.92
O=C(CCCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048765	0	38	-1.0	-48.38	317.81	1.71	-46.67
C[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048766	0	39	-1.0	-45.85	320.89	2.20	-43.65
O=C(CO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048767	0	33	-1.0	-50.47	280.19	-2.09	-52.56
O=C(NC1CCN(C(=O)C2CCO2)CC1)C1=CC(=O)[N-]O1	REAL250005048768	0	37	-1.0	-49.82	305.50	0.31	-49.51
O=C(NC1CCN(C(=O)C2COC2)CC1)C1=CC(=O)[N-]O1	REAL250005048769	0	37	-1.0	-46.45	306.43	-0.74	-47.19
O=C(C=CCO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048770	0	37	-1.0	-49.32	313.33	-1.98	-51.30
CCC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048771	0	39	-1.0	-46.07	323.32	2.14	-43.93
C#CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048772	0	37	-1.0	-46.13	317.00	2.09	-44.04
C=CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048773	0	37	-1.0	-48.81	306.94	-0.84	-49.65
CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048774	0	36	-1.0	-49.38	296.80	-1.55	-50.93
CC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048775	0	34	-1.0	-45.43	291.12	-0.05	-45.48
O=C(NC1CCN(C(=O)C2(F)CC2)CC1)C1=CC(=O)[N-]O1	REAL250005048776	0	36	-1.0	-44.49	304.18	1.51	-42.98
CC=C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048777	0	36	-1.0	-45.45	307.03	1.37	-44.08
CC(CO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048778	0	39	-1.0	-45.93	319.40	-1.99	-47.92
O=C(NC1CCN(C(=O)C2(O)CC2)CC1)C1=CC(=O)[N-]O1	REAL250005048779	0	37	-1.0	-45.18	311.21	-1.84	-47.02
O=C(NC1CCN(C(=O)C2=CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005048780	0	37	-1.0	-46.95	305.47	1.86	-45.09
CC(CF)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048781	0	38	-1.0	-45.17	315.16	1.42	-43.75
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048782	0	36	-1.0	-46.27	302.23	1.38	-44.89
O=C(C=CCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048783	0	36	-1.0	-48.02	308.41	1.49	-46.53
C[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048785	0	36	-1.0	-49.38	296.80	-1.55	-50.93
CON=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048786	0	36	-1.0	-48.38	311.11	-0.68	-49.06
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048787	0	39	-1.0	-45.86	320.82	2.19	-43.67
CC(C)(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048788	0	39	-1.0	-46.41	314.08	-1.75	-48.16
C=C(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048789	0	39	-1.0	-45.88	324.20	1.99	-43.89
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048790	0	36	-1.0	-46.22	302.58	1.34	-44.88
C[NH+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048791	0	41	0.0	-69.72	325.31	1.48	-68.24
CN(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048791	1	40	-1.0	-46.31	323.22	-0.91	-47.22
N#CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048792	0	33	-1.0	-54.22	289.18	0.50	-53.72
O=C(NC1CCN(C(=O)C2CC2F)CC1)C1=CC(=O)[N-]O1	REAL250005048793	0	36	-1.0	-45.62	306.22	1.61	-44.01
O=C(CCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048794	0	35	-1.0	-45.50	296.31	0.95	-44.55
CO[C@H](C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048795	0	39	-1.0	-48.47	317.78	0.63	-47.84
C[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048796	0	36	-1.0	-46.82	296.07	-1.57	-48.39
C=C1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048797	0	37	-1.0	-48.26	313.04	2.10	-46.16
CC1=CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048798	0	37	-1.0	-46.62	314.51	2.25	-44.37
C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048799	0	33	-1.0	-46.46	280.51	0.50	-45.96
CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048800	0	34	-1.0	-48.90	289.76	0.44	-48.46
COCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048801	0	38	-1.0	-48.73	323.43	-0.49	-49.22
CN(CCCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048802	0	35	-1.0	-48.83	300.27	1.21	-47.62
CN(CCCNC(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048803	0	38	-1.0	-48.58	316.49	1.71	-46.87
CN(CCCNC(=O)C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048804	0	41	-1.0	-48.49	332.79	2.32	-46.17
CN(CCCNC(=O)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048805	0	38	-1.0	-48.95	320.69	1.97	-46.98
CN(CCCNC(=O)C(C)(C)F)C(=O)C1=CC(=O)[N-]O1	REAL250005048806	0	37	-1.0	-48.28	316.57	1.09	-47.19
CN(CCCNC(=O)C(C)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005048807	0	34	-1.0	-46.57	301.61	0.63	-45.94
COCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048808	0	35	-1.0	-51.80	302.48	-0.20	-52.00
CCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048809	0	37	-1.0	-48.70	311.25	1.20	-47.50
CN(CCCNC(=O)C1=CC=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005048810	0	35	-1.0	-49.85	309.37	0.75	-49.10
CC(=O)NCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048811	0	38	-1.0	-51.16	328.13	-1.88	-53.04
CC(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048812	0	40	-1.0	-48.23	327.98	1.79	-46.44
CC1CC1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048813	0	38	-1.0	-48.69	321.65	1.88	-46.81
CCOCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048814	0	38	-1.0	-51.80	324.33	0.76	-51.04
CC(C)=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048815	0	38	-1.0	-48.29	319.28	1.74	-46.55
CN(CCCNC(=O)C1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005048816	0	39	-1.0	-52.32	325.51	0.98	-51.34
CSCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048817	0	35	-1.0	-50.85	312.82	0.86	-49.99
CC(C)CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048818	0	43	-1.0	-48.54	350.32	2.49	-46.05
CN(CCCNC(=O)C1=CC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005048819	0	36	-1.0	-51.24	312.26	0.53	-50.71
CN(CCCNC(=O)C1=COC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005048820	0	35	-1.0	-52.09	308.28	0.68	-51.41
CCCCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048821	0	43	-1.0	-48.60	354.25	2.76	-45.84
CN(CCCNC(=O)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005048822	0	43	-1.0	-47.47	342.95	2.31	-45.16
CCCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048823	0	40	-1.0	-48.70	332.75	1.98	-46.72
CC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048824	0	37	-1.0	-48.49	309.31	1.11	-47.38
CCC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048825	0	40	-1.0	-48.42	327.43	1.75	-46.67
CCC(CC)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048826	0	43	-1.0	-48.36	343.44	2.20	-46.16
CN(CCCNC(=O)C1=CC=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005048827	0	35	-1.0	-49.77	306.96	-0.81	-50.58
CCOC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048828	0	41	-1.0	-51.49	344.12	1.46	-50.03
CN(CCCNC(=O)C1=CNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005048829	0	35	-1.0	-51.14	307.25	-0.85	-51.99
COCCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048830	0	41	-1.0	-51.08	344.93	0.27	-50.81
CN(CCCNC(=O)C1=NOC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005048831	0	34	-1.0	-51.11	303.85	0.00	-51.11
CCC=C(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048832	0	41	-1.0	-48.80	338.35	2.47	-46.33
COC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048833	0	38	-1.0	-51.53	321.46	0.56	-50.97
CC(C)OCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048834	0	41	-1.0	-51.56	344.60	1.49	-50.07
CCCOCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048835	0	41	-1.0	-51.56	345.83	1.56	-50.00
CN(CCCNC(=O)C1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048836	0	39	-1.0	-49.79	323.52	-0.27	-50.06
CCC(OC)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048837	0	41	-1.0	-50.12	342.99	1.32	-48.80
COC(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048838	0	41	-1.0	-49.69	342.57	1.03	-48.66
C=CCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048839	0	38	-1.0	-48.52	324.07	1.76	-46.76
CCOCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048840	0	41	-1.0	-48.66	345.28	0.47	-48.19
COCC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048841	0	41	-1.0	-48.36	342.14	0.22	-48.14
C=CCOCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048842	0	39	-1.0	-51.99	337.24	1.33	-50.66
CN(CCCNC(=O)C1=COC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005048843	0	34	-1.0	-50.92	304.16	-2.66	-53.58
CCCC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048844	0	43	-1.0	-48.37	348.92	2.51	-45.86
CN(CCCNC(=O)CCC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048845	0	41	-1.0	-48.69	342.87	2.77	-45.92
CN(CCCNC(=O)C1CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048846	0	39	-1.0	-48.41	325.29	2.18	-46.23
CN(CCCNC(=O)CC1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048847	0	41	-1.0	-48.72	337.66	2.49	-46.23
CC(C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005048848	0	41	-1.0	-48.68	338.61	2.53	-46.15
CC=C(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048849	0	38	-1.0	-49.08	318.07	1.71	-47.37
CC1CC(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048850	0	41	-1.0	-48.30	336.22	2.30	-46.00
CN(CCCNC(=O)C=C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048851	0	39	-1.0	-49.18	328.66	2.41	-46.77
CC(C)=C(F)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048852	0	38	-1.0	-47.14	324.09	1.78	-45.36
CN(CCCNC(=O)C1=CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048853	0	39	-1.0	-48.90	326.34	2.30	-46.60
CN(CCCNC(=O)C1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005048854	0	41	-1.0	-48.05	336.88	2.43	-45.62
CN(CCCNC(=O)[C@H]1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005048855	0	41	-1.0	-48.06	336.88	2.41	-45.65
CN(CCCNC(=O)[C@@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005048856	0	39	-1.0	-51.97	325.98	0.95	-51.02
CCC(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048857	0	43	-1.0	-48.19	346.21	2.45	-45.74
C#CCCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048858	0	39	-1.0	-51.24	338.54	2.50	-48.74
CN(CCCNC(=O)CC(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005048859	0	41	-1.0	-47.84	334.14	-0.29	-48.13
CC(C)[C@@H](O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048860	0	41	-1.0	-48.59	335.71	0.20	-48.39
CCC(C)=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048861	0	41	-1.0	-47.88	340.97	2.48	-45.40
CC(C)C#CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048862	0	39	-1.0	-49.75	339.15	2.46	-47.29
CN(CCCNC(=O)C#CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048863	0	37	-1.0	-50.02	328.56	2.61	-47.41
C=C(C)CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048864	0	41	-1.0	-48.19	345.71	2.43	-45.76
CN(CCCNC(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048865	0	38	-1.0	-48.67	318.03	1.80	-46.87
CN(CCCNC(=O)[C@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005048866	0	39	-1.0	-52.28	326.34	1.00	-51.28
CN(CCCNC(=O)C1=NNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005048867	0	34	-1.0	-48.90	302.67	-2.23	-51.13
CN(CCCNC(=O)C1=CN=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005048867	1	34	-1.0	-50.33	301.76	-2.17	-52.50
CN(CCCNC(=O)CC1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048868	0	41	-1.0	-48.45	341.67	2.45	-46.00
CN(CCCNC(=O)C1=CN=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005048869	0	34	-1.0	-50.41	304.16	-2.55	-52.96
C=CC(C)(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048870	0	41	-1.0	-48.56	336.95	2.07	-46.49
C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048871	0	38	-1.0	-48.82	321.41	1.85	-46.97
CN(CCCNC(=O)C1(C)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048872	0	41	-1.0	-48.68	333.42	2.22	-46.46
CCC(F)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048873	0	37	-1.0	-49.87	317.53	1.24	-48.63
CN(CCCNC(=O)CCCF)C(=O)C1=CC(=O)[N-]O1	REAL250005048874	0	37	-1.0	-51.02	317.84	1.34	-49.68
C[C@H]1C[C@@H]1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048875	0	38	-1.0	-48.75	321.40	1.86	-46.89
C=CCCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048876	0	41	-1.0	-48.97	345.56	2.54	-46.43
CCC(C)(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048877	0	43	-1.0	-48.46	342.42	2.17	-46.29
CN(CCCNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005048878	0	32	-1.0	-48.98	285.10	-4.24	-53.22
CC1CC1CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048879	0	41	-1.0	-48.91	341.81	2.63	-46.28
CCC1(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048880	0	41	-1.0	-48.81	343.28	2.40	-46.41
CN(CCCNC(=O)C1(CF)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048881	0	38	-1.0	-51.73	328.06	1.82	-49.91
CN(CCCNC(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005048882	0	40	-1.0	-48.40	328.19	1.67	-46.73
CC(C)C(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048883	0	43	-1.0	-47.85	343.33	2.31	-45.54
CC[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048884	0	41	-1.0	-48.67	343.66	2.63	-46.04
CN(CCCNC(=O)C1CC12CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005048885	0	39	-1.0	-49.09	332.72	2.67	-46.42
CN(CCCNC(=O)[C@@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005048886	0	36	-1.0	-55.57	314.70	-2.89	-58.46
CN(CCCNC(=O)[C@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005048887	0	36	-1.0	-55.85	314.21	-3.23	-59.08
COC1(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048888	0	39	-1.0	-50.09	328.05	0.94	-49.15
CN(CCCNC(=O)C1CSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048889	0	36	-1.0	-48.70	316.35	1.36	-47.34
C=CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048890	0	35	-1.0	-48.93	302.67	0.98	-47.95
CN(CCCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005048891	0	40	0.0	-70.23	325.34	1.15	-69.08
CN(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048891	1	39	-1.0	-49.15	323.26	-1.23	-50.38
C=CC(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048892	0	36	-1.0	-49.07	313.76	-1.15	-50.22
CN(CCCNC(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048893	0	36	-1.0	-49.27	307.11	-1.06	-50.33
CO[C@H](C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048894	0	38	-1.0	-51.41	322.26	0.49	-50.92
CC=CC(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048895	0	39	-1.0	-48.87	335.47	-0.30	-49.17
C[C@@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005048896	0	43	0.0	-68.51	342.88	1.57	-66.94
C[C@@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005048896	1	42	-1.0	-48.86	336.97	-0.86	-49.72
CCC=C(F)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048897	0	38	-1.0	-47.06	328.60	1.85	-45.21
CCC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048898	0	38	-1.0	-48.81	324.42	1.80	-47.01
CN(CCCNC(=O)C(C)(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005048900	0	41	-1.0	-48.61	337.54	-1.53	-50.14
CN(CCCNC(=O)C1(F)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048901	0	38	-1.0	-46.89	322.86	1.76	-45.13
CN(CCCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005048902	0	32	-1.0	-53.35	280.22	-2.48	-55.83
CN(CCCNC(=O)C=CC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005048903	0	36	-1.0	-51.98	319.72	-2.92	-54.90
CC(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048904	0	35	-1.0	-49.88	300.56	-1.70	-51.58
CN(CCCNC(=O)C1(O)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048905	0	39	-1.0	-48.30	322.78	-1.38	-49.68
CN(CCCNC(=O)C(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048906	0	39	-1.0	-48.43	328.84	0.08	-48.35
C=CCC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048907	0	41	-1.0	-48.10	341.93	2.35	-45.75
CN(CCCNC(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005048908	0	35	-1.0	-52.72	306.48	1.27	-51.45
C[C@@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005048909	0	43	0.0	-68.51	342.88	1.57	-66.94
C[C@@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005048909	1	42	-1.0	-48.86	336.97	-0.86	-49.72
CN(CCCNC(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005048910	0	34	-1.0	-48.20	296.35	0.57	-47.63
CN(CCCNC(=O)C1(O)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048911	0	37	-1.0	-51.14	315.28	-4.11	-55.25
CC(C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005048912	0	39	-1.0	-49.58	332.53	2.67	-46.91
CCC1CC1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048913	0	41	-1.0	-48.62	343.06	2.64	-45.98
CN(CCCNC(=O)CC1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048914	0	39	-1.0	-52.07	330.03	-1.54	-53.61
CN(CCCNC(=O)C=CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005048915	0	35	-1.0	-50.47	309.51	1.16	-49.31
C#CCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048916	0	36	-1.0	-49.00	317.04	1.72	-47.28
CN(CCCNC(=O)CN1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048917	0	40	-1.0	-49.89	331.12	-1.65	-51.54
CN(CCCNC(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048917	1	41	0.0	-69.74	335.44	1.58	-68.16
C#C[C@H]1C[C@H]1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048918	0	37	-1.0	-51.37	323.72	2.36	-49.01
CN(CCCNC(=O)C1C2CCC21)C(=O)C1=CC(=O)[N-]O1	REAL250005048919	0	39	-1.0	-48.75	322.97	2.53	-46.22
C=C1CCC1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048920	0	39	-1.0	-48.18	329.05	2.16	-46.02
C[C@H]1C(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005048921	0	41	-1.0	-48.66	338.80	2.40	-46.26
C[C@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005048922	0	43	0.0	-67.62	343.76	1.52	-66.10
C[C@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005048922	1	42	-1.0	-49.18	336.11	-0.77	-49.95
CC=CC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048923	0	39	-1.0	-49.01	338.50	2.49	-46.52
COCC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048924	0	39	-1.0	-50.58	336.69	0.08	-50.50
CN(CCCNC(=O)C1(C)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048925	0	39	-1.0	-48.84	325.45	-0.46	-49.30
CN(CCCNC(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005048926	0	36	-1.0	-52.70	308.39	-0.06	-52.76
CN(CCCNC(=O)CCN=[N+]=[N-])C(=O)C1=CC(=O)[N-]O1	REAL250005048927	0	36	-1.0	-47.98	319.90	-2.95	-50.93
C#CCOCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048928	0	37	-1.0	-54.33	330.12	1.29	-53.04
CN(CCCNC(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005048929	0	38	-1.0	-48.06	320.24	-2.13	-50.19
CC1=CC1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048930	0	36	-1.0	-49.71	315.32	1.90	-47.81
CN(C)C(=O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048931	0	38	-1.0	-49.04	322.42	-0.73	-49.77
CSC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048932	0	36	-1.0	-48.73	325.38	1.34	-47.39
CCC(C)(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048933	0	41	-1.0	-47.53	336.86	-1.47	-49.00
CC[N@H+](C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048934	0	43	0.0	-69.53	342.81	1.80	-67.73
CC[N@@H+](C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048934	1	43	0.0	-69.56	342.82	1.80	-67.76
CCN(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048934	1	42	-1.0	-49.00	341.23	-0.44	-49.44
C=C1CC(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048935	0	39	-1.0	-48.24	330.00	2.22	-46.02
CN(CCCNC(=O)C1CCC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005048936	0	38	-1.0	-50.03	322.88	1.78	-48.25
CN(CCCNC(=O)C1=CN=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005048937	0	35	-1.0	-52.39	307.08	0.27	-52.12
CN(CCCNC(=O)C1=CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005048938	0	37	-1.0	-48.74	317.85	0.32	-48.42
CCC[C@H](O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048939	0	41	-1.0	-48.70	342.54	-0.09	-48.79
CC(C)[C@H](O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048940	0	41	-1.0	-48.52	336.84	-0.18	-48.70
CCOC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048941	0	39	-1.0	-49.12	336.40	0.67	-48.45
C[C@@H](O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048942	0	35	-1.0	-49.85	300.55	-1.72	-51.57
CN(CCCNC(=O)C=CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005048943	0	36	-1.0	-51.87	314.43	-2.32	-54.19
COC(C)(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048944	0	41	-1.0	-51.61	334.21	0.99	-50.62
CN(CCCNC(=O)CCCCO)C(=O)C1=CC(=O)[N-]O1	REAL250005048945	0	41	-1.0	-50.18	344.17	-1.35	-51.53
CN(CCCNC(=O)C1(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048946	0	39	-1.0	-52.16	332.92	-1.65	-53.81
COC(F)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048947	0	35	-1.0	-51.81	308.38	-0.72	-52.53
CN(CCCNC(=O)C12CC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005048948	0	39	-1.0	-49.00	328.47	2.38	-46.62
C=C[C@H](C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048949	0	41	-1.0	-48.01	340.77	2.33	-45.68
CN(CCCNC(=O)C=CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048950	0	39	-1.0	-48.76	335.31	2.62	-46.14
CC=C(CC)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048951	0	41	-1.0	-48.86	339.10	2.43	-46.43
C=CC(C)(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048952	0	39	-1.0	-48.23	330.42	-1.39	-49.62
CN(CCCNC(=O)C1=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048953	0	36	-1.0	-49.62	310.76	1.78	-47.84
CON=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048954	0	35	-1.0	-51.41	312.22	-0.99	-52.40
CN(CCCNC(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048955	0	35	-1.0	-47.17	306.47	1.26	-45.91
CN(CCCNC(=O)C1=NOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048956	0	36	-1.0	-48.85	313.80	-0.72	-49.57
C#CC(C)(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048957	0	39	-1.0	-50.76	334.01	2.11	-48.65
CN(CCCNC(=O)COC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048958	0	39	-1.0	-52.48	334.70	1.54	-50.94
CN(CCCNC(=O)C1=NC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005048959	0	35	-1.0	-51.12	308.20	-0.53	-51.65
CCCC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048960	0	41	-1.0	-48.61	345.91	2.58	-46.03
CC=C(F)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048961	0	35	-1.0	-47.29	308.30	1.11	-46.18
CCC(CO)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048962	0	41	-1.0	-48.76	335.79	-1.14	-49.90
CC(CO)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048963	0	38	-1.0	-48.86	319.89	-2.18	-51.04
CN(CCCNC(=O)C1=CON=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005048964	0	34	-1.0	-49.77	303.48	0.13	-49.64
CN(CCCNC(=O)[C@@H]1C[C@H]1CF)C(=O)C1=CC(=O)[N-]O1	REAL250005048965	0	38	-1.0	-51.19	328.88	2.01	-49.18
C#CC1(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048966	0	37	-1.0	-48.70	325.71	2.25	-46.45
CN(CCCNC(=O)C1=COCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048967	0	37	-1.0	-49.33	316.45	0.28	-49.05
C[C@H](O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048968	0	35	-1.0	-49.28	300.55	-1.70	-50.98
CN(CCCNC(=O)C1C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048969	0	39	-1.0	-48.38	325.06	2.21	-46.17
CC(O)C(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048970	0	41	-1.0	-50.63	334.77	-0.40	-51.03
C=C1CC1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048971	0	36	-1.0	-48.85	313.84	1.77	-47.08
CC(CF)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048972	0	37	-1.0	-47.65	315.10	1.23	-46.42
C=C(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048973	0	38	-1.0	-48.83	324.28	1.63	-47.20
CC(C)=C(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048974	0	41	-1.0	-49.32	340.79	2.07	-47.25
CCCC(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048975	0	41	-1.0	-49.23	342.55	-0.09	-49.32
CCC(O)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048976	0	41	-1.0	-51.77	341.93	-0.42	-52.19
CC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048977	0	35	-1.0	-49.04	303.33	1.04	-48.00
CN(CCCNC(=O)C1(C)CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005048978	0	38	-1.0	-47.66	324.23	1.89	-45.77
CN(CCCNC(=O)[C@H]1C[C@@H](O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005048979	0	39	-1.0	-52.21	327.89	-1.72	-53.93
C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048980	0	38	-1.0	-48.82	321.41	1.85	-46.97
CNC(=O)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048981	0	38	-1.0	-59.46	325.84	-0.52	-59.98
C=CC=CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048982	0	39	-1.0	-49.40	337.92	2.40	-47.00
CN(CCCNC(=O)CCC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005048983	0	38	-1.0	-51.56	327.44	-2.74	-54.30
CC(O)CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048984	0	41	-1.0	-49.77	343.10	-1.30	-51.07
C#CCC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048985	0	39	-1.0	-48.56	334.90	2.29	-46.27
CC(CCO)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048986	0	41	-1.0	-51.79	338.85	-1.61	-53.40
CN(CCCNC(=O)[C@H](O)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005048987	0	35	-1.0	-50.92	306.86	-1.54	-52.46
CN(CCCNC(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048988	0	36	-1.0	-48.29	308.59	-1.87	-50.16
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005048989	0	38	-1.0	-49.40	323.15	2.06	-47.34
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)F	REAL250005048990	0	37	-1.0	-47.71	311.86	0.93	-46.78
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(F)F	REAL250005048991	0	34	-1.0	-45.71	301.95	0.61	-45.10
COCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005048992	0	35	-1.0	-52.60	305.21	-0.08	-52.68
CCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005048993	0	37	-1.0	-49.10	313.99	1.30	-47.80
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CO1	REAL250005048994	0	35	-1.0	-50.08	309.11	0.90	-49.18
CC(=O)NCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005048995	0	38	-1.0	-50.36	331.15	-1.83	-52.19
CC(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005048996	0	40	-1.0	-48.56	330.72	1.89	-46.67
CC1CC1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005048997	0	38	-1.0	-49.19	323.57	1.92	-47.27
CCOCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005048998	0	38	-1.0	-52.66	327.07	0.88	-51.78
CC(C)=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005048999	0	38	-1.0	-48.40	321.10	1.80	-46.60
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCO1	REAL250005049000	0	39	-1.0	-53.29	324.84	0.94	-52.35
CSCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049001	0	35	-1.0	-51.78	315.55	0.98	-50.80
CC(C)CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049002	0	43	-1.0	-49.08	353.06	2.59	-46.49
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN1	REAL250005049003	0	36	-1.0	-52.55	310.10	0.87	-51.68
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=C1	REAL250005049004	0	35	-1.0	-53.47	306.49	0.54	-52.93
CCCCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049005	0	43	-1.0	-49.09	356.99	2.86	-46.23
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)C	REAL250005049006	0	43	-1.0	-47.66	345.68	2.42	-45.24
CCCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049007	0	40	-1.0	-49.17	335.49	2.08	-47.09
CC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049008	0	37	-1.0	-48.93	308.67	0.96	-47.97
CCC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049009	0	40	-1.0	-49.16	325.25	1.54	-47.62
CCC(CC)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049010	0	43	-1.0	-49.20	340.85	2.00	-47.20
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC=C1	REAL250005049011	0	35	-1.0	-51.92	307.69	-0.45	-52.37
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1	REAL250005049011	1	35	-1.0	-50.36	305.39	-0.60	-50.96
CCOC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049012	0	41	-1.0	-52.63	343.26	1.36	-51.27
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNN=C1	REAL250005049013	0	35	-1.0	-51.11	305.01	-1.13	-52.24
COCCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049014	0	41	-1.0	-51.86	347.66	0.37	-51.49
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOC=C1	REAL250005049015	0	34	-1.0	-50.03	304.45	0.34	-49.69
CCC=C(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049016	0	41	-1.0	-49.93	334.71	2.12	-47.81
COC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049017	0	38	-1.0	-52.63	319.89	0.38	-52.25
CC(C)OCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049018	0	41	-1.0	-52.63	347.34	1.62	-51.01
CCCOCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049019	0	41	-1.0	-52.44	348.57	1.68	-50.76
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCOC1	REAL250005049020	0	39	-1.0	-50.53	323.07	-0.30	-50.83
CCC(OC)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049021	0	41	-1.0	-51.56	341.04	1.17	-50.39
COC(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049022	0	41	-1.0	-50.44	345.30	1.12	-49.32
C=CCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049023	0	38	-1.0	-48.88	326.80	1.86	-47.02
CCOCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049024	0	41	-1.0	-48.66	348.02	0.57	-48.09
COCC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049025	0	41	-1.0	-48.68	339.96	0.01	-48.67
C=CCOCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049026	0	39	-1.0	-52.92	339.97	1.45	-51.47
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=N1	REAL250005049027	0	34	-1.0	-49.90	304.57	-1.70	-51.60
CC(C#N)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049028	0	35	-1.0	-56.64	306.55	0.51	-56.13
CCCC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049029	0	43	-1.0	-49.23	346.75	2.30	-46.93
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CC1	REAL250005049030	0	41	-1.0	-49.15	345.33	2.85	-46.30
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC=CC1	REAL250005049031	0	39	-1.0	-49.11	328.08	2.25	-46.86
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCC1	REAL250005049032	0	41	-1.0	-49.26	340.40	2.59	-46.67
CC(C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049033	0	41	-1.0	-49.41	337.93	2.41	-47.00
CC=C(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049034	0	38	-1.0	-49.56	321.48	1.48	-48.08
CC1CC(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049035	0	41	-1.0	-48.87	337.56	2.33	-46.54
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CCC1	REAL250005049036	0	39	-1.0	-49.51	330.56	2.49	-47.02
CC(C)=C(F)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049037	0	38	-1.0	-49.57	332.29	1.91	-47.66
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCC1	REAL250005049038	0	39	-1.0	-49.78	323.59	2.05	-47.73
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1(C)C	REAL250005049039	0	41	-1.0	-48.44	338.81	2.48	-45.96
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC1(C)C	REAL250005049040	0	41	-1.0	-48.35	338.55	2.47	-45.88
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCCO1	REAL250005049041	0	39	-1.0	-53.44	325.21	0.90	-52.54
CCC(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049042	0	43	-1.0	-48.57	348.95	2.56	-46.01
C#CCCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049043	0	39	-1.0	-51.92	341.27	2.60	-49.32
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)O	REAL250005049044	0	41	-1.0	-51.83	339.48	-0.40	-52.23
CC(C)[C@@H](O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049045	0	41	-1.0	-49.28	333.24	-0.27	-49.55
CCC(C)=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049046	0	41	-1.0	-47.97	342.77	2.57	-45.40
CC(C)C#CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049047	0	39	-1.0	-50.02	342.72	2.56	-47.46
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC1CC1	REAL250005049048	0	37	-1.0	-50.32	332.39	2.73	-47.59
CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049049	0	34	-1.0	-49.20	292.49	0.53	-48.67
COCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049050	0	38	-1.0	-48.72	326.16	-0.40	-49.12
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005049051	0	35	-1.0	-49.20	302.66	1.24	-47.96
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1	REAL250005049052	0	38	-1.0	-49.10	317.38	1.72	-47.38
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC1	REAL250005049053	0	41	-1.0	-49.35	334.23	2.29	-47.06
C=CCCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049054	0	41	-1.0	-49.48	348.30	2.64	-46.84
CCC(C)(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049055	0	43	-1.0	-49.44	336.81	1.75	-47.69
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005049056	0	32	-1.0	-46.98	285.83	-4.11	-51.09
CC1CC1CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049057	0	41	-1.0	-49.43	344.81	2.75	-46.68
CCC1(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049058	0	41	-1.0	-49.49	341.84	2.30	-47.19
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C	REAL250005049059	0	40	-1.0	-49.22	321.53	1.21	-48.01
C=C(C)CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049060	0	41	-1.0	-48.62	348.15	2.52	-46.10
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CF)CC1	REAL250005049061	0	38	-1.0	-53.23	327.93	1.75	-51.48
CC(C)C(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049062	0	43	-1.0	-48.65	344.00	2.16	-46.49
CC[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049063	0	41	-1.0	-49.22	345.45	2.67	-46.55
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC12CC2	REAL250005049064	0	39	-1.0	-49.59	334.65	2.73	-46.86
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCO1	REAL250005049065	0	39	-1.0	-53.49	325.00	0.94	-52.55
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(C)CC1	REAL250005049066	0	41	-1.0	-48.82	343.43	2.56	-46.26
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1	REAL250005049067	0	38	-1.0	-49.41	319.83	1.56	-47.85
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=C1	REAL250005049068	0	36	-1.0	-55.77	310.22	0.32	-55.45
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CO1	REAL250005049069	0	34	-1.0	-50.84	304.73	-2.39	-53.23
C=CC(C)(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049070	0	41	-1.0	-49.45	330.28	1.60	-47.85
C[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049071	0	38	-1.0	-49.15	324.30	1.94	-47.21
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCC1	REAL250005049072	0	41	-1.0	-49.49	331.05	1.93	-47.56
CCC(F)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049073	0	37	-1.0	-50.09	319.29	1.30	-48.79
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCF	REAL250005049074	0	37	-1.0	-51.85	320.58	1.44	-50.41
C[C@H]1C[C@@H]1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049075	0	38	-1.0	-49.20	323.58	1.93	-47.27
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNN=C1	REAL250005049076	0	34	-1.0	-48.59	303.24	-1.88	-50.47
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005049077	0	32	-1.0	-54.21	282.96	-2.36	-56.57
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(N)=O	REAL250005049078	0	36	-1.0	-51.00	321.64	-2.85	-53.85
COC(=O)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049079	0	37	-1.0	-57.12	324.44	1.48	-55.64
CSC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049080	0	36	-1.0	-48.62	327.25	1.44	-47.18
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(N)=O	REAL250005049081	0	38	-1.0	-50.42	330.17	-2.64	-53.06
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCO1	REAL250005049082	0	36	-1.0	-54.28	307.71	0.04	-54.24
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCO1	REAL250005049083	0	37	-1.0	-48.21	317.76	0.68	-47.53
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC1	REAL250005049084	0	36	-1.0	-49.60	308.27	-1.03	-50.63
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005049085	0	36	-1.0	-52.79	316.35	-2.24	-55.03
CC=CC(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049086	0	39	-1.0	-49.68	330.73	-0.23	-49.91
C[C@@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005049087	0	43	0.0	-68.38	343.40	1.53	-66.85
C[C@@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005049087	1	42	-1.0	-49.50	334.38	-0.99	-50.49
CCC=C(F)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049088	0	38	-1.0	-46.35	329.12	1.85	-44.50
CCC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049089	0	38	-1.0	-49.24	326.33	1.89	-47.35
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCN=[N+]=[N-]	REAL250005049090	0	36	-1.0	-48.05	322.63	-2.85	-50.90
C#CCOCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049091	0	37	-1.0	-55.44	332.85	1.41	-54.03
CC(O)CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049092	0	41	-1.0	-48.93	345.80	-1.21	-50.14
C#CCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049093	0	36	-1.0	-49.08	319.77	1.82	-47.26
CC=CC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049094	0	39	-1.0	-49.36	340.40	2.56	-46.80
COCC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049095	0	39	-1.0	-51.37	338.60	0.16	-51.21
CCC(C)(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049096	0	41	-1.0	-47.21	333.05	-1.29	-48.50
C#CCC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049097	0	39	-1.0	-48.99	332.72	2.08	-46.91
C=CC(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049098	0	36	-1.0	-49.87	309.03	-1.09	-50.96
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C12CC1CC2	REAL250005049099	0	39	-1.0	-49.58	325.02	2.20	-47.38
C=C[C@H](C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049100	0	41	-1.0	-48.51	343.23	2.41	-46.10
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1CC1	REAL250005049101	0	39	-1.0	-49.25	336.95	2.68	-46.57
CCC(C#N)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049102	0	38	-1.0	-49.13	329.54	1.18	-47.95
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C2CCC21	REAL250005049103	0	39	-1.0	-49.01	325.63	2.59	-46.42
C=C1CCC1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049104	0	39	-1.0	-48.65	328.24	2.11	-46.54
C[C@H]1C(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005049105	0	41	-1.0	-49.15	342.24	2.53	-46.62
CC[N@H+](C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049106	0	43	0.0	-69.94	345.81	1.88	-68.06
CC[N@@H+](C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049106	1	43	0.0	-69.90	345.54	1.87	-68.03
CCN(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049106	1	42	-1.0	-49.38	343.96	-0.39	-49.77
CC(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049107	0	35	-1.0	-53.85	299.63	-1.84	-55.69
CC(=O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049108	0	33	-1.0	-46.34	292.27	-0.30	-46.64
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCC#N	REAL250005049109	0	38	-1.0	-57.60	334.84	1.82	-55.78
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C#N)CC1	REAL250005049110	0	36	-1.0	-47.59	318.24	1.11	-46.48
C=C1CC(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049111	0	39	-1.0	-48.72	331.14	2.25	-46.47
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC1	REAL250005049112	0	35	-1.0	-46.96	306.59	1.22	-45.74
COC(C)(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049113	0	41	-1.0	-53.28	328.78	0.56	-52.72
CC(CC#N)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049114	0	38	-1.0	-49.85	326.30	1.26	-48.59
CCC1CC1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049115	0	41	-1.0	-49.17	345.72	2.70	-46.47
C=CC(C)(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049116	0	39	-1.0	-47.52	326.49	-1.19	-48.71
CCCC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049117	0	41	-1.0	-49.03	347.83	2.66	-46.37
CC=C(F)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049118	0	35	-1.0	-46.54	308.82	1.12	-45.42
C[C@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005049119	0	43	0.0	-68.43	344.36	1.62	-66.81
C[C@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005049119	1	42	-1.0	-49.56	332.77	-1.10	-50.66
CCOC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049120	0	39	-1.0	-48.59	338.27	0.74	-47.85
CC(=O)OCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049121	0	37	-1.0	-52.00	328.56	1.51	-50.49
CC(=O)C=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049122	0	37	-1.0	-49.40	328.50	1.00	-48.40
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC1	REAL250005049123	0	39	-1.0	-53.66	337.16	1.65	-52.01
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=CN1	REAL250005049124	0	35	-1.0	-49.69	307.90	0.12	-49.57
CC(CO)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049125	0	38	-1.0	-49.07	317.71	-2.39	-51.46
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CON=C1	REAL250005049126	0	34	-1.0	-49.18	293.84	-0.45	-49.63
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCO	REAL250005049127	0	41	-1.0	-50.23	346.91	-1.26	-51.49
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)C1CC1	REAL250005049128	0	37	-1.0	-46.32	323.89	1.29	-45.03
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC1	REAL250005049129	0	39	-1.0	-53.21	333.92	-1.46	-54.67
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1F	REAL250005049130	0	38	-1.0	-53.28	322.13	1.84	-51.44
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1CF	REAL250005049131	0	38	-1.0	-51.03	330.96	2.07	-48.96
CCC(CO)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049132	0	41	-1.0	-49.22	336.56	-1.23	-50.45
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@@H]1C#N	REAL250005049133	0	36	-1.0	-60.14	319.20	1.57	-58.57
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCC1	REAL250005049134	0	37	-1.0	-50.14	312.69	0.06	-50.08
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CC1	REAL250005049135	0	36	-1.0	-47.81	313.61	-1.99	-49.80
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005049136	0	36	-1.0	-50.53	308.64	1.65	-48.88
CC(CF)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049137	0	37	-1.0	-47.99	312.92	1.02	-46.97
CC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049138	0	35	-1.0	-49.41	305.24	1.12	-48.29
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1F	REAL250005049139	0	38	-1.0	-47.90	327.15	1.64	-46.26
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005049140	0	35	-1.0	-51.26	311.43	1.24	-50.02
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CO)CC1	REAL250005049141	0	39	-1.0	-53.77	332.70	-1.74	-55.51
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NO1	REAL250005049142	0	34	-1.0	-48.05	304.47	0.16	-47.89
C[C@H](O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049144	0	35	-1.0	-53.97	300.21	-1.81	-55.78
CON=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049145	0	35	-1.0	-52.02	314.14	-0.93	-52.95
CC(C)[C@H](O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049146	0	41	-1.0	-49.02	335.84	-0.28	-49.30
C#CC1(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049147	0	37	-1.0	-48.52	323.50	2.01	-46.51
C=CC=CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049148	0	39	-1.0	-49.77	340.65	2.50	-47.27
C#C[C@H]1C[C@H]1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049149	0	37	-1.0	-52.02	325.52	2.41	-49.61
CC=C(CC)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049150	0	41	-1.0	-49.23	347.09	2.37	-46.86
COC(F)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049151	0	35	-1.0	-52.90	310.20	-0.66	-53.56
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C#N	REAL250005049152	0	36	-1.0	-51.16	323.66	1.66	-49.50
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@@H](O)C1	REAL250005049153	0	39	-1.0	-53.03	328.96	-1.68	-54.71
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CO	REAL250005049154	0	41	-1.0	-49.15	331.45	-2.02	-51.17
C=CCC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049155	0	41	-1.0	-48.86	339.75	2.13	-46.73
C[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049156	0	38	-1.0	-49.15	324.30	1.94	-47.21
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)O	REAL250005049157	0	38	-1.0	-47.38	317.65	-1.86	-49.24
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOCC1	REAL250005049158	0	36	-1.0	-47.42	314.39	-0.38	-47.80
CC(C#N)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049159	0	38	-1.0	-49.46	330.03	1.57	-47.89
CC(CCO)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049160	0	41	-1.0	-53.07	336.67	-1.82	-54.89
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](O)CF	REAL250005049161	0	35	-1.0	-50.52	304.42	-1.70	-52.22
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CCC1	REAL250005049162	0	39	-1.0	-47.32	327.30	-1.32	-48.64
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(O)C1CC1	REAL250005049163	0	39	-1.0	-49.29	327.87	-0.07	-49.36
C=C(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049164	0	38	-1.0	-49.01	327.05	1.74	-47.27
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C#N	REAL250005049165	0	38	-1.0	-56.20	320.99	0.75	-55.45
CC(C)=C(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049166	0	41	-1.0	-49.47	344.26	2.31	-47.16
CNC(=O)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049167	0	38	-1.0	-61.18	328.58	-0.44	-61.62
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(F)C1	REAL250005049168	0	38	-1.0	-51.55	324.03	1.82	-49.73
C=CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049169	0	35	-1.0	-49.27	305.40	1.07	-48.20
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005049170	0	40	0.0	-70.64	328.08	1.21	-69.43
CN(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049170	1	39	-1.0	-49.47	325.99	-1.18	-50.65
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005049171	0	32	-1.0	-58.11	291.95	0.21	-57.90
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1F	REAL250005049172	0	35	-1.0	-47.45	309.73	1.35	-46.10
C[C@@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005049173	0	43	0.0	-68.38	343.40	1.53	-66.85
C[C@@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005049173	1	42	-1.0	-49.50	334.38	-0.99	-50.49
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005049174	0	34	-1.0	-48.22	299.08	0.67	-47.55
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C=CCC1	REAL250005049175	0	39	-1.0	-48.80	323.37	2.09	-46.71
C#CC(C)(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049176	0	39	-1.0	-52.13	327.42	1.64	-50.49
CO[C@H](C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049177	0	38	-1.0	-52.63	319.89	0.38	-52.25
CC(=O)CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049178	0	39	-1.0	-49.06	337.19	1.21	-47.85
C[C@@H](O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049179	0	35	-1.0	-50.38	298.18	-1.83	-52.21
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC1	REAL250005049180	0	40	-1.0	-50.95	333.59	-1.60	-52.55
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005049180	1	41	0.0	-70.62	337.91	1.61	-69.01
CC(O)C(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049181	0	41	-1.0	-51.19	334.39	-0.40	-51.59
C=C1CC1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049182	0	36	-1.0	-49.32	315.78	1.84	-47.48
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)COC1	REAL250005049183	0	39	-1.0	-49.41	324.41	-0.69	-50.10
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(=O)N1	REAL250005049184	0	36	-1.0	-56.70	316.44	-3.12	-59.82
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC(=O)N1	REAL250005049185	0	36	-1.0	-57.09	315.51	-3.23	-60.32
CCC[C@H](O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049186	0	41	-1.0	-49.49	341.90	-0.19	-49.68
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CCC1	REAL250005049187	0	38	-1.0	-46.85	322.56	1.74	-45.11
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=N1	REAL250005049188	0	35	-1.0	-52.03	307.62	0.96	-51.07
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN1	REAL250005049188	1	35	-1.0	-54.01	305.42	0.63	-53.38
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(=O)C1	REAL250005049189	0	37	-1.0	-51.02	320.17	0.81	-50.21
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)COC1	REAL250005049190	0	37	-1.0	-50.68	314.44	-3.38	-54.06
CC(C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005049191	0	39	-1.0	-49.55	339.66	2.60	-46.95
CC1=CC1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049192	0	36	-1.0	-49.84	317.29	1.96	-47.88
CN(C)C(=O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049193	0	38	-1.0	-46.95	323.24	-0.60	-47.55
CCCC(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049194	0	41	-1.0	-49.74	340.38	-0.26	-50.00
CCC(O)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049195	0	41	-1.0	-52.52	344.66	-0.33	-52.85
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC(=O)N1	REAL250005049196	0	36	-1.0	-56.63	316.99	-2.84	-59.47
COC1(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049197	0	39	-1.0	-47.19	332.21	0.37	-46.82
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CSC1	REAL250005049198	0	36	-1.0	-49.02	316.93	1.36	-47.66
C=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049199	0	32	-1.0	-49.46	283.52	0.25	-49.21
CN(CCCNC(=O)C1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005049200	0	36	-1.0	-55.45	314.36	-3.13	-58.58
CN(CCCNC(=O)C1CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005049201	0	38	-1.0	-48.82	322.44	1.77	-47.05
CN(CCCNC(=O)C1=CC=NO1)C(=O)C1=CC(=O)[N-]O1	REAL250005049202	0	34	-1.0	-48.94	303.60	0.15	-48.79
CCC(=O)N1CCCCC1C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005049203	0	41	-1.0	-52.85	316.24	2.82	-50.03
CC(=O)N1CCCCC1C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005049204	0	38	-1.0	-52.55	291.53	2.73	-49.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCCCN1C(=O)CO	REAL250005049205	0	39	-1.0	-58.03	306.45	-0.32	-58.35
CCC(=O)NC(C)C1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005049206	0	41	-1.0	-51.67	312.71	2.44	-49.23
CC(=O)NC(C)C1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005049207	0	38	-1.0	-51.21	290.54	2.45	-48.76
CC(NC(=O)CO)C1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005049208	0	39	-1.0	-56.35	303.18	-0.46	-56.81
C=CC(=O)NC(C)C1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005049209	0	39	-1.0	-51.49	302.23	2.95	-48.54
CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCCC1	REAL250005049210	0	41	-1.0	-50.70	308.06	1.79	-48.91
CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCCCC1	REAL250005049211	0	41	-1.0	-46.79	306.73	1.80	-44.99
CCC(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049212	0	37	-1.0	-49.59	309.06	1.30	-48.29
CCN(CCCNC(=O)CCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005049213	0	41	-1.0	-49.34	342.74	0.37	-48.97
CCN(CCCNC(C)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005049214	0	34	-1.0	-49.82	288.47	0.49	-49.33
CCN(CCCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005049215	0	38	-1.0	-49.46	319.58	2.07	-47.39
CCN(CCCNC(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005049216	0	41	-1.0	-49.22	335.79	2.57	-46.65
CCN(CCCNC(=O)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005049217	0	41	-1.0	-49.56	340.00	2.84	-46.72
CCN(CCCNC(=O)COC)C(=O)C1=CC(=O)[N-]O1	REAL250005049218	0	38	-1.0	-52.42	321.79	0.66	-51.76
CCCC(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049219	0	40	-1.0	-49.34	330.56	2.06	-47.28
CCN(CCCNC(=O)CC(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005049220	0	43	-1.0	-48.81	347.29	2.65	-46.16
CCN(CCCNC(=O)C1CC1C)C(=O)C1=CC(=O)[N-]O1	REAL250005049221	0	41	-1.0	-49.34	340.96	2.74	-46.60
CCOCC(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049222	0	41	-1.0	-52.36	343.64	1.62	-50.74
CCN(CCCNC(=O)C=C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005049223	0	41	-1.0	-48.89	338.30	2.60	-46.29
CCCCC(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049224	0	43	-1.0	-49.30	352.06	2.84	-46.46
CCN(CCCNC(=O)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005049225	0	40	-1.0	-49.17	328.61	1.97	-47.20
CCC(C)C(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049226	0	43	-1.0	-49.04	346.74	2.62	-46.42
CCN(CCCNC(=O)C(C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005049227	0	41	-1.0	-52.17	340.77	1.42	-50.75
C=CCCC(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049228	0	41	-1.0	-49.15	343.37	2.62	-46.53
CC=C(C)C(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049229	0	41	-1.0	-49.73	337.38	2.58	-47.15
CCN(CCCNC(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005049230	0	41	-1.0	-49.27	337.34	2.67	-46.60
CCN(CCCNC(=O)[C@@H]1C[C@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005049231	0	41	-1.0	-49.32	340.97	2.73	-46.59
CCN(CCCNC(=O)[C@H]1C[C@@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005049232	0	41	-1.0	-49.35	340.52	2.73	-46.62
CCN(CCCNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005049233	0	35	-1.0	-49.61	304.41	-3.38	-52.99
CCN(CCCNC(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005049234	0	43	-1.0	-49.07	347.50	2.53	-46.54
C=CCC(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049235	0	38	-1.0	-49.59	321.98	1.84	-47.75
CCN(CCCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005049236	0	43	0.0	-71.13	344.65	2.01	-69.12
CCN(CCCNC(=O)CN(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005049236	1	42	-1.0	-49.78	342.57	-0.37	-50.15
C=CC(O)C(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049237	0	39	-1.0	-49.72	333.07	-0.29	-50.01
CCN(CCCNC(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005049238	0	39	-1.0	-49.96	326.42	-0.20	-50.16
CCN(CCCNC(=O)[C@@H](C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005049239	0	41	-1.0	-52.05	341.57	1.37	-50.68
CCC=CC(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049240	0	41	-1.0	-49.38	343.73	2.67	-46.71
CCN(CCCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005049242	0	35	-1.0	-54.00	299.53	-1.62	-55.62
CCN(CCCNC(=O)C(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005049243	0	38	-1.0	-53.49	320.20	-0.86	-54.35
CCN(CCCNC(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005049244	0	38	-1.0	-53.42	325.79	2.13	-51.29
CCN(CCCNC(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005049245	0	37	-1.0	-48.86	315.66	1.44	-47.42
CCN(CCCNC(=O)C=CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005049246	0	38	-1.0	-51.13	328.82	2.02	-49.11
C#CCCC(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049247	0	39	-1.0	-49.58	336.34	2.58	-47.00
CCN(CCCNC(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005049248	0	39	-1.0	-53.44	325.03	0.72	-52.72
CCN(CCCNC(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005049249	0	41	-1.0	-48.28	339.55	-1.27	-49.55
CCN(CCCNC(=O)C1C=C1C)C(=O)C1=CC(=O)[N-]O1	REAL250005049250	0	39	-1.0	-50.34	334.63	2.76	-47.58
CCN(CCCNC(=O)[C@@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005049251	0	38	-1.0	-50.50	319.86	-0.83	-51.33
CCN(CCCNC(=O)C=CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005049252	0	39	-1.0	-52.49	333.74	-1.46	-53.95
CCN(CCCNC(=O)C1=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005049253	0	39	-1.0	-50.40	327.14	2.53	-47.87
CCN(CCCNC(=O)C=NOC)C(=O)C1=CC(=O)[N-]O1	REAL250005049254	0	38	-1.0	-51.99	331.53	-0.13	-52.12
CCN(CCCNC(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005049255	0	38	-1.0	-47.86	322.84	2.01	-45.85
CC=C(F)C(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049256	0	38	-1.0	-47.97	327.61	1.97	-46.00
CCN(CCCNC(=O)C(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005049257	0	41	-1.0	-49.48	339.20	-1.32	-50.80
CCN(CCCNC(=O)[C@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005049258	0	38	-1.0	-53.53	318.92	-0.81	-54.34
C=C1CC1C(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049259	0	39	-1.0	-49.49	333.16	2.64	-46.85
C=C(C)CC(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049260	0	41	-1.0	-49.42	343.59	2.49	-46.93
CC=CC(=O)NCCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005049261	0	38	-1.0	-49.68	322.64	1.91	-47.77
CCN(CCCNC(=O)[C@@H]1C[C@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005049262	0	41	-1.0	-49.32	340.97	2.73	-46.59
CCN(CCCNC(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005049263	0	39	-1.0	-49.06	324.96	-1.11	-50.17
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005049264	0	41	-1.0	-49.01	343.39	2.99	-46.02
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC	REAL250005049265	0	38	-1.0	-52.22	321.15	0.71	-51.51
CCCC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049266	0	40	-1.0	-48.74	329.93	2.09	-46.65
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)C	REAL250005049267	0	43	-1.0	-48.20	346.65	2.69	-45.51
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1C	REAL250005049268	0	41	-1.0	-48.91	341.36	2.79	-46.12
CCOCC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049269	0	41	-1.0	-52.27	343.00	1.67	-50.60
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C(C)C	REAL250005049270	0	41	-1.0	-48.06	338.77	2.66	-45.40
CCCCC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049271	0	43	-1.0	-48.77	351.43	2.87	-45.90
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C	REAL250005049272	0	40	-1.0	-47.55	326.19	1.77	-45.78
CCC(C)C(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049273	0	43	-1.0	-47.41	344.91	2.43	-44.98
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)OC	REAL250005049274	0	41	-1.0	-52.18	337.88	1.24	-50.94
C=CCCC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049275	0	41	-1.0	-48.69	342.74	2.65	-46.04
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C#N	REAL250005049276	0	38	-1.0	-54.53	325.62	1.39	-53.14
CC=C(C)C(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049277	0	41	-1.0	-49.02	340.39	2.38	-46.64
CCC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049278	0	37	-1.0	-48.85	308.43	1.32	-47.53
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCOC	REAL250005049279	0	41	-1.0	-48.38	342.10	0.40	-47.98
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(C)=O	REAL250005049280	0	34	-1.0	-49.05	288.48	0.52	-48.53
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005049281	0	38	-1.0	-48.73	323.22	2.18	-46.55
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1	REAL250005049282	0	41	-1.0	-48.65	337.57	2.63	-46.02
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005049283	0	35	-1.0	-46.70	301.53	-3.23	-49.93
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C	REAL250005049284	0	43	-1.0	-49.04	333.30	1.92	-47.12
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1	REAL250005049285	0	41	-1.0	-49.04	336.63	2.42	-46.62
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C	REAL250005049286	0	41	-1.0	-48.74	344.60	2.86	-45.88
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@@H]1C	REAL250005049287	0	41	-1.0	-48.76	344.60	2.86	-45.90
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005049288	0	35	-1.0	-53.66	298.90	-1.57	-55.23
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCO1	REAL250005049289	0	39	-1.0	-51.82	325.30	0.77	-51.05
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC1	REAL250005049290	0	39	-1.0	-49.16	324.45	-0.24	-49.40
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005049291	0	39	-1.0	-52.61	334.13	-1.38	-53.99
CCC=CC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049292	0	41	-1.0	-48.96	344.11	2.75	-46.21
C#CCCC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049293	0	39	-1.0	-48.72	335.71	2.61	-46.11
C=CC(O)C(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049294	0	39	-1.0	-49.56	328.00	-0.44	-50.00
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)O	REAL250005049295	0	38	-1.0	-49.16	315.60	-1.02	-50.18
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)=O	REAL250005049296	0	36	-1.0	-46.11	308.37	0.58	-45.53
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC1	REAL250005049297	0	38	-1.0	-46.26	324.90	2.12	-44.14
CC=C(F)C(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049298	0	38	-1.0	-46.49	324.44	1.88	-44.61
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)CO	REAL250005049299	0	41	-1.0	-48.04	337.19	-1.54	-49.58
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CC1	REAL250005049300	0	39	-1.0	-48.85	326.47	-0.43	-49.28
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005049301	0	39	-1.0	-50.26	323.18	2.40	-47.86
CC=CC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049302	0	38	-1.0	-49.07	323.02	1.99	-47.08
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005049303	0	38	-1.0	-51.17	329.21	2.10	-49.07
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)O	REAL250005049305	0	38	-1.0	-49.22	319.31	-0.88	-50.10
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=NOC	REAL250005049306	0	38	-1.0	-51.48	331.92	-0.08	-51.56
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C	REAL250005049307	0	41	-1.0	-48.74	344.60	2.86	-45.88
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)O	REAL250005049308	0	41	-1.0	-46.81	330.41	-0.77	-47.58
C=C(C)CC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049309	0	41	-1.0	-48.63	342.95	2.52	-46.11
C=CCC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049310	0	38	-1.0	-49.07	321.34	1.86	-47.21
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005049311	0	43	0.0	-70.46	344.01	2.00	-68.46
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN(C)C	REAL250005049311	1	42	-1.0	-49.24	341.93	-0.39	-49.63
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005049312	0	35	-1.0	-57.24	307.89	1.00	-56.24
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1F	REAL250005049313	0	38	-1.0	-52.62	329.42	2.25	-50.37
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005049314	0	37	-1.0	-47.82	315.02	1.46	-46.36
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)OC	REAL250005049315	0	41	-1.0	-50.51	337.72	1.20	-49.31
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)O	REAL250005049316	0	38	-1.0	-49.16	315.60	-1.02	-50.18
C=C1CC1C(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049317	0	39	-1.0	-48.94	336.71	2.79	-46.15
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C=C1C	REAL250005049318	0	39	-1.0	-49.38	339.10	2.95	-46.43
C=CC(=O)N(CC)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005049319	0	35	-1.0	-49.15	301.30	1.11	-48.04
CCC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049320	0	38	-1.0	-51.13	312.78	1.89	-49.24
CC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049321	0	35	-1.0	-51.38	292.47	1.08	-50.30
O=C(NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1)C1CC1	REAL250005049322	0	39	-1.0	-51.15	323.30	2.64	-48.51
COCC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049323	0	39	-1.0	-53.99	325.50	1.25	-52.74
CCCC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049324	0	41	-1.0	-50.91	334.28	2.65	-48.26
CC(C)C(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049325	0	41	-1.0	-50.76	332.33	2.56	-48.20
NC(=O)C(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049326	0	36	-1.0	-50.44	308.13	-2.78	-53.22
C=CCC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049327	0	39	-1.0	-50.95	325.69	2.43	-48.52
O=C(CO)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049328	0	36	-1.0	-55.57	303.25	-1.03	-56.60
CC(O)C(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049329	0	39	-1.0	-52.20	323.58	-0.24	-52.44
O=C(CCF)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049330	0	38	-1.0	-49.85	319.37	2.03	-47.82
C[C@@H](O)C(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049331	0	39	-1.0	-52.21	323.50	-0.24	-52.45
C[C@H](O)C(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049332	0	39	-1.0	-50.85	323.58	-0.24	-51.09
CC=CC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049333	0	39	-1.0	-51.44	326.35	2.50	-48.94
COCC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049334	0	39	-1.0	-51.70	329.15	1.22	-50.48
CCCC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049335	0	41	-1.0	-48.33	337.91	2.59	-45.74
CC(C)C(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049336	0	41	-1.0	-46.60	332.94	2.47	-44.13
CCC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049337	0	38	-1.0	-48.48	316.42	1.82	-46.66
CC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049338	0	35	-1.0	-47.72	293.97	1.20	-46.52
O=C(NCCCN(C(=O)C1CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005049339	0	39	-1.0	-47.16	327.51	2.77	-44.39
NC(=O)C(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049340	0	36	-1.0	-46.36	308.87	-2.81	-49.17
O=C(CO)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049341	0	36	-1.0	-53.28	306.90	-1.07	-54.35
CC(O)C(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049342	0	39	-1.0	-47.51	320.94	-0.64	-48.15
CC(=O)C(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049343	0	37	-1.0	-45.37	313.96	1.26	-44.11
CC=CC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049344	0	39	-1.0	-48.69	328.81	2.40	-46.29
C[C@H](O)C(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049345	0	39	-1.0	-47.88	320.38	-0.51	-48.39
C=CCC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049346	0	39	-1.0	-48.51	329.33	2.36	-46.15
N#CCC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049347	0	36	-1.0	-57.00	315.89	1.51	-55.49
O=C(CCF)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049348	0	38	-1.0	-47.34	323.00	1.96	-45.38
C[C@@H](O)C(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049349	0	39	-1.0	-48.52	325.05	-0.39	-48.91
C=CC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049350	0	36	-1.0	-48.78	307.08	1.52	-47.26
CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049351	0	38	-1.0	-46.79	300.62	2.41	-44.38
CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049352	0	35	-1.0	-46.77	278.65	1.44	-45.33
CN(C(=O)C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049353	0	39	-1.0	-46.62	311.03	3.14	-43.48
COCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049354	0	39	-1.0	-49.65	313.35	1.78	-47.87
CCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049355	0	41	-1.0	-46.62	322.12	3.18	-43.44
CC(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049356	0	41	-1.0	-47.75	315.58	2.62	-45.13
CN(C(=O)C(N)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049357	0	36	-1.0	-49.99	291.31	-2.17	-52.16
C=CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049358	0	39	-1.0	-46.80	313.54	2.95	-43.85
CN(C(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049359	0	36	-1.0	-51.28	291.09	-0.50	-51.78
CC(O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049360	0	39	-1.0	-47.65	306.31	0.05	-47.60
CN(C(=O)CCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049361	0	38	-1.0	-45.99	307.22	2.55	-43.44
C[C@@H](O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049362	0	39	-1.0	-50.87	306.66	0.01	-50.86
C[C@H](O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049363	0	39	-1.0	-48.69	307.33	0.04	-48.65
CC=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049364	0	39	-1.0	-46.88	313.37	3.01	-43.87
COCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049365	0	39	-1.0	-50.58	314.06	1.88	-48.70
CCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049366	0	41	-1.0	-47.75	322.81	3.27	-44.48
CC(C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049367	0	41	-1.0	-47.50	320.33	2.99	-44.51
CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049368	0	38	-1.0	-48.00	301.30	2.50	-45.50
CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049369	0	35	-1.0	-48.16	278.64	1.62	-46.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC2)CC1	REAL250005049370	0	39	-1.0	-47.62	310.81	3.21	-44.41
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(N)=O)CC1	REAL250005049371	0	36	-1.0	-45.97	293.75	-2.34	-48.31
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)CC1	REAL250005049372	0	36	-1.0	-52.57	291.85	-0.41	-52.98
CC(O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049373	0	39	-1.0	-48.38	308.50	0.14	-48.24
CC(=O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049374	0	37	-1.0	-45.29	299.95	1.37	-43.92
CC=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049375	0	39	-1.0	-47.86	313.69	3.06	-44.80
C[C@H](O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049376	0	39	-1.0	-48.33	308.13	0.14	-48.19
C=CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049377	0	39	-1.0	-48.03	314.25	3.03	-45.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC#N)CC1	REAL250005049378	0	36	-1.0	-56.89	300.85	2.17	-54.72
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCF)CC1	REAL250005049379	0	38	-1.0	-47.18	307.90	2.64	-44.54
C[C@@H](O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049380	0	39	-1.0	-48.42	307.20	0.11	-48.31
C=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049381	0	36	-1.0	-47.96	291.40	2.17	-45.79
CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049382	0	35	-1.0	-54.36	286.53	0.50	-53.86
COCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049383	0	39	-1.0	-53.34	320.53	-0.31	-53.65
CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049384	0	32	-1.0	-54.51	266.55	-0.19	-54.70
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005049385	0	36	-1.0	-54.01	297.38	1.38	-52.63
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005049386	0	39	-1.0	-54.12	313.54	1.89	-52.23
O=C(CC1CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049387	0	39	-1.0	-54.57	317.81	2.16	-52.41
CC(C)(F)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049388	0	38	-1.0	-51.56	313.34	1.17	-50.39
COCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049389	0	36	-1.0	-58.04	299.25	-0.14	-58.18
CCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049390	0	38	-1.0	-54.15	308.09	1.28	-52.87
CC(C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049391	0	41	-1.0	-53.75	325.09	1.98	-51.77
CC1CC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049392	0	39	-1.0	-54.14	318.42	1.94	-52.20
CCOCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049393	0	39	-1.0	-58.19	321.10	0.82	-57.37
CC(C)=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049394	0	39	-1.0	-53.05	316.30	1.93	-51.12
CSCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049395	0	36	-1.0	-57.18	309.59	0.93	-56.25
CCCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049396	0	41	-1.0	-54.28	329.86	2.17	-52.11
CC(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049397	0	38	-1.0	-53.98	306.07	1.17	-52.81
CCC(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049398	0	41	-1.0	-53.97	324.54	1.94	-52.03
COC(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049399	0	39	-1.0	-57.96	319.37	0.70	-57.26
C=CCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049400	0	39	-1.0	-54.01	321.17	1.95	-52.06
CC=C(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049401	0	39	-1.0	-54.41	314.90	1.83	-52.58
CC1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049402	0	39	-1.0	-54.04	314.76	1.86	-52.18
C[C@@H]1C[C@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049403	0	39	-1.0	-54.03	318.50	1.95	-52.08
CCC(F)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049404	0	38	-1.0	-54.33	314.63	1.43	-52.90
O=C(CCCF)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049405	0	38	-1.0	-57.26	314.95	1.52	-55.74
C[C@H]1C[C@@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049406	0	39	-1.0	-54.04	318.75	2.05	-51.99
NC(=O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049407	0	33	-1.0	-49.61	282.20	-4.03	-53.64
CC(C)(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049408	0	41	-1.0	-53.95	325.29	1.87	-52.08
C=CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049409	0	36	-1.0	-54.38	299.44	1.04	-53.34
C[NH+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049410	0	41	0.0	-74.47	322.45	1.35	-73.12
CN(C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049410	1	40	-1.0	-54.72	320.37	-1.04	-55.76
C=CC(O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049411	0	37	-1.0	-54.49	310.86	-0.98	-55.47
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005049412	0	37	-1.0	-54.26	304.22	-0.87	-55.13
CO[C@H](C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049413	0	39	-1.0	-57.77	319.31	0.68	-57.09
CCC=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049414	0	39	-1.0	-53.94	321.25	1.91	-52.03
O=C(CO)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049416	0	33	-1.0	-59.77	276.99	-2.42	-62.19
CC(O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049417	0	36	-1.0	-54.67	297.66	-1.51	-56.18
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005049418	0	36	-1.0	-53.02	304.17	1.48	-51.54
O=C(CCF)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049419	0	35	-1.0	-52.78	293.45	0.76	-52.02
O=C(C=CCF)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049420	0	36	-1.0	-56.32	306.35	1.26	-55.06
C#CCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049421	0	37	-1.0	-53.83	314.14	1.90	-51.93
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005049422	0	37	-1.0	-59.31	305.75	0.15	-59.16
CC(C)(O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049423	0	39	-1.0	-51.50	317.01	-2.08	-53.58
CC1=CC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049424	0	37	-1.0	-54.46	312.37	2.08	-52.38
C[C@@H](O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049425	0	36	-1.0	-55.05	297.39	-1.62	-56.67
O=C(C=CCO)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049426	0	37	-1.0	-57.91	311.27	-2.22	-60.13
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005049427	0	37	-1.0	-54.91	307.34	1.91	-53.00
CON=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049428	0	36	-1.0	-56.78	309.05	-0.89	-57.67
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005049429	0	36	-1.0	-49.87	303.44	1.47	-48.40
CC=C(F)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049430	0	36	-1.0	-49.83	305.13	1.21	-48.62
CC(CO)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049431	0	39	-1.0	-53.20	316.73	-2.10	-55.30
C[C@H](O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049432	0	36	-1.0	-59.32	297.73	-1.63	-60.95
C=C1CC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049433	0	37	-1.0	-53.91	310.93	1.96	-51.95
CC(CF)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049434	0	38	-1.0	-52.25	312.12	1.33	-50.92
C=C(C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049435	0	39	-1.0	-54.17	320.79	1.69	-52.48
CC=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049436	0	36	-1.0	-54.16	300.16	1.15	-53.01
C[C@@H]1C[C@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049437	0	39	-1.0	-54.03	318.50	1.95	-52.08
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005049438	0	37	-1.0	-52.80	305.69	-1.67	-54.47
O=C(CC1CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049439	0	39	-1.0	-50.20	320.67	2.35	-47.85
CC(C)(F)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049440	0	38	-1.0	-46.74	309.62	1.19	-45.55
COCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049441	0	36	-1.0	-57.85	302.41	0.18	-57.67
CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049442	0	38	-1.0	-49.87	311.18	1.56	-48.31
CC(C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049443	0	41	-1.0	-49.48	327.91	2.17	-47.31
CC1CC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049444	0	39	-1.0	-49.15	315.36	2.23	-46.92
CCOCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049445	0	39	-1.0	-58.05	324.27	1.14	-56.91
CC(C)=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049446	0	39	-1.0	-53.29	318.31	2.08	-51.21
CSCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049447	0	36	-1.0	-56.88	312.75	1.26	-55.62
CCCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049448	0	41	-1.0	-49.94	332.69	2.34	-47.60
CC(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049449	0	38	-1.0	-49.51	308.58	1.30	-48.21
CCC(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049450	0	41	-1.0	-49.21	327.45	1.97	-47.24
COC(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049451	0	39	-1.0	-53.32	318.42	0.65	-52.67
C=CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049452	0	39	-1.0	-54.01	324.03	2.12	-51.89
CC(C#N)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049453	0	36	-1.0	-52.99	307.41	0.89	-52.10
CC=C(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049454	0	39	-1.0	-55.67	314.44	1.70	-53.97
CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049455	0	35	-1.0	-54.30	289.69	0.79	-53.51
COCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049456	0	39	-1.0	-52.94	323.40	-0.13	-53.07
CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049457	0	32	-1.0	-54.48	268.38	-0.03	-54.51
O=C(NC1CCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005049458	0	36	-1.0	-49.91	299.67	1.53	-48.38
O=C(NC1CCCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005049459	0	39	-1.0	-49.82	316.00	2.04	-47.78
NC(=O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049460	0	33	-1.0	-48.24	282.11	-4.12	-52.36
CC(C)(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049461	0	41	-1.0	-49.50	317.95	1.41	-48.09
CC1(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049462	0	39	-1.0	-45.97	319.62	1.89	-44.08
C[C@@H]1C[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049463	0	39	-1.0	-49.85	320.87	2.21	-47.64
CCC(F)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049464	0	38	-1.0	-48.04	316.31	1.57	-46.47
O=C(CCCF)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049465	0	38	-1.0	-52.90	317.78	1.70	-51.20
C[C@H]1C[C@@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049466	0	39	-1.0	-49.83	320.86	2.21	-47.62
O=C(CO)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049467	0	33	-1.0	-59.73	280.16	-2.10	-61.83
O=C(NC1CCCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005049468	0	37	-1.0	-55.07	305.78	0.30	-54.77
O=C(NC1CCCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005049469	0	37	-1.0	-49.83	306.54	-0.70	-50.53
O=C(C=CCO)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049470	0	37	-1.0	-58.24	313.26	-1.99	-60.23
CCC=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049471	0	39	-1.0	-54.22	323.25	2.13	-52.09
C#CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049472	0	37	-1.0	-53.48	317.00	2.08	-51.40
C=CC(O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049473	0	37	-1.0	-54.58	308.14	-1.04	-55.62
CC(O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049474	0	36	-1.0	-48.00	296.92	-1.56	-49.56
CC(=O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049475	0	34	-1.0	-52.87	294.51	-0.14	-53.01
O=C(NC1CCCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005049476	0	36	-1.0	-44.56	306.29	1.54	-43.02
CC=C(F)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049477	0	36	-1.0	-49.86	306.98	1.37	-48.49
CC(CO)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049478	0	39	-1.0	-48.93	319.78	-1.99	-50.92
O=C(NC1CCCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005049479	0	37	-1.0	-48.26	306.65	-1.45	-49.71
O=C(NC1CCCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005049480	0	37	-1.0	-55.81	306.13	1.92	-53.89
CC(CF)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049481	0	38	-1.0	-47.97	315.17	1.43	-46.54
CC=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049482	0	36	-1.0	-54.46	302.15	1.38	-53.08
O=C(C=CCF)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049483	0	36	-1.0	-56.57	308.34	1.49	-55.08
C[C@H](O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049485	0	36	-1.0	-50.08	296.86	-1.57	-51.65
CON=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049486	0	36	-1.0	-55.77	311.03	-0.68	-56.45
C[C@@H]1C[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049487	0	39	-1.0	-49.85	320.87	2.21	-47.64
CC(C)(O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049488	0	39	-1.0	-47.43	314.02	-1.77	-49.20
C=C(C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049489	0	39	-1.0	-53.79	324.21	1.99	-51.80
C=CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049490	0	36	-1.0	-54.38	302.60	1.33	-53.05
C[NH+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049491	0	41	0.0	-73.69	325.27	1.47	-72.22
CN(C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049491	1	40	-1.0	-54.49	323.23	-0.92	-55.41
N#CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049492	0	33	-1.0	-63.31	289.15	0.48	-62.83
O=C(NC1CCCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005049493	0	36	-1.0	-47.81	306.46	1.62	-46.19
O=C(CCF)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049494	0	35	-1.0	-52.22	296.31	0.94	-51.28
CO[C@H](C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049495	0	39	-1.0	-48.59	318.71	0.64	-47.95
C[C@@H](O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049496	0	36	-1.0	-50.91	296.08	-1.58	-52.49
C=C1CC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049497	0	37	-1.0	-49.61	313.03	2.09	-47.52
CC1=CC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049498	0	37	-1.0	-50.39	314.72	2.25	-48.14
C=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049499	0	33	-1.0	-54.47	280.43	0.51	-53.96
CC(=O)NCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049500	0	40	-1.0	-48.77	321.66	-1.27	-50.04
CC(=O)NCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049500	1	41	0.0	-76.71	325.42	1.10	-75.61
CC(=O)N1CCN(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049501	0	40	-1.0	-48.41	323.85	-1.13	-49.54
CC(=O)N1CC[NH+](CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049501	1	41	0.0	-79.52	327.34	1.22	-78.30
CCC(=O)NCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049502	0	40	-1.0	-50.03	321.53	-1.21	-51.24
CC(=O)NCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049503	0	37	-1.0	-50.23	300.94	-2.01	-52.24
O=C(CO)NCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049504	0	38	-1.0	-54.90	312.00	-4.13	-59.03
CCC(=O)N1CCN(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049505	0	40	-1.0	-47.19	324.77	-0.92	-48.11
CC(=O)N1CCN(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049506	0	37	-1.0	-47.56	302.70	-1.79	-49.35
O=C(CO)N1CCN(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049507	0	38	-1.0	-51.73	315.21	-3.84	-55.57
C=CC(=O)N1CCN(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049508	0	38	-1.0	-47.43	314.43	-1.41	-48.84
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049509	0	32	-1.0	-49.19	272.30	-0.06	-49.25
COCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049510	0	36	-1.0	-48.95	305.98	-0.99	-49.94
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005049511	0	33	-1.0	-49.20	282.92	0.70	-48.50
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005049512	0	36	-1.0	-48.88	299.03	1.21	-47.67
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC1	REAL250005049513	0	39	-1.0	-51.00	317.13	1.76	-49.24
O=C(CC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049514	0	36	-1.0	-51.55	304.32	1.43	-50.12
CC(C)(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049515	0	35	-1.0	-49.23	299.71	0.57	-48.66
CC(F)(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049516	0	32	-1.0	-45.73	284.16	0.12	-45.61
COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049517	0	33	-1.0	-54.32	285.97	-0.73	-55.05
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049518	0	35	-1.0	-49.06	293.80	0.71	-48.35
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CO1	REAL250005049519	0	33	-1.0	-50.73	292.93	0.21	-50.52
CC(=O)NCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049520	0	36	-1.0	-52.12	311.62	-2.40	-54.52
CC(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049521	0	38	-1.0	-48.66	310.53	1.29	-47.37
CC1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049522	0	36	-1.0	-49.96	299.70	1.40	-48.56
CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049523	0	36	-1.0	-54.41	307.82	0.23	-54.18
CC(C)=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049524	0	36	-1.0	-48.23	301.72	1.24	-46.99
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCO1	REAL250005049525	0	37	-1.0	-52.75	308.35	0.49	-52.26
CSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049526	0	33	-1.0	-53.54	296.31	0.34	-53.20
CSCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049527	0	36	-1.0	-48.47	317.04	1.18	-47.29
CC(C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049528	0	41	-1.0	-48.90	332.87	1.99	-46.91
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005049529	0	34	-1.0	-53.81	295.88	-0.02	-53.83
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=C1	REAL250005049530	0	33	-1.0	-54.55	292.03	0.19	-54.36
CCCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049531	0	41	-1.0	-49.05	336.80	2.27	-46.78
CC(C)(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049532	0	41	-1.0	-47.90	325.50	1.82	-46.08
CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049533	0	38	-1.0	-49.11	315.30	1.49	-47.62
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049534	0	35	-1.0	-50.55	292.81	0.57	-49.98
CCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049535	0	38	-1.0	-50.60	310.92	1.21	-49.39
CCC(CC)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049536	0	41	-1.0	-48.31	326.10	1.73	-46.58
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005049537	0	33	-1.0	-51.50	290.58	-1.33	-52.83
CSC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049538	0	36	-1.0	-53.54	314.76	0.90	-52.64
CCOC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049539	0	39	-1.0	-54.04	326.82	0.96	-53.08
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNN=C1	REAL250005049540	0	33	-1.0	-52.50	290.74	-1.35	-53.85
COCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049541	0	39	-1.0	-51.75	327.47	-0.22	-51.97
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOC=C1	REAL250005049542	0	32	-1.0	-50.74	287.40	-0.54	-51.28
CCC=C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049543	0	39	-1.0	-48.79	321.00	2.03	-46.76
COC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049544	0	36	-1.0	-54.08	305.76	-0.03	-54.11
CC(C)OCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049545	0	39	-1.0	-54.40	328.10	0.96	-53.44
CCCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049546	0	39	-1.0	-54.20	329.32	1.03	-53.17
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCOC1	REAL250005049547	0	37	-1.0	-51.48	306.48	-0.77	-52.25
CCC(OC)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049548	0	39	-1.0	-50.96	325.83	0.86	-50.10
COC(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049549	0	39	-1.0	-51.94	326.06	0.50	-51.44
C=CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049550	0	36	-1.0	-48.86	306.61	1.27	-47.59
CCOCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049551	0	39	-1.0	-48.86	327.83	-0.02	-48.88
COCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049552	0	39	-1.0	-48.36	324.69	-0.28	-48.64
C=CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049553	0	37	-1.0	-54.74	320.73	0.81	-53.93
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=N1	REAL250005049554	0	32	-1.0	-50.90	287.78	-3.20	-54.10
CCCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049555	0	41	-1.0	-48.81	331.48	2.01	-46.80
O=C(CCC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049556	0	39	-1.0	-51.05	326.36	2.25	-48.80
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC=CC1	REAL250005049557	0	37	-1.0	-50.71	308.89	1.69	-49.02
O=C(CC1CCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049558	0	39	-1.0	-51.18	321.16	1.97	-49.21
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005049559	0	39	-1.0	-50.63	322.87	2.04	-48.59
CC=C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049560	0	36	-1.0	-48.98	300.62	1.22	-47.76
CC1CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005049561	0	39	-1.0	-51.10	321.11	1.82	-49.28
O=C(C=C1CCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049562	0	37	-1.0	-51.12	312.47	1.90	-49.22
CC(C)=C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049563	0	36	-1.0	-46.23	306.52	1.32	-44.91
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005049564	0	37	-1.0	-50.50	309.84	1.79	-48.71
CC1(C)CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049565	0	39	-1.0	-49.93	320.36	1.91	-48.02
CC1(C)C[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049566	0	39	-1.0	-48.19	319.43	1.93	-46.26
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCCO1	REAL250005049567	0	37	-1.0	-54.92	309.73	0.48	-54.44
CCC(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049568	0	41	-1.0	-50.54	329.70	1.93	-48.61
C#CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049569	0	37	-1.0	-51.91	321.08	2.01	-49.90
CC(C)(O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049570	0	39	-1.0	-48.51	316.76	-0.63	-49.14
CC(C)[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049571	0	39	-1.0	-50.38	319.38	-1.62	-52.00
CCC(C)=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049572	0	39	-1.0	-47.96	323.30	2.02	-45.94
CC(C)C#CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049573	0	37	-1.0	-50.79	322.64	1.93	-48.86
O=C(C#CC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049574	0	35	-1.0	-50.86	312.31	2.11	-48.75
C=C(C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049575	0	39	-1.0	-48.56	328.26	1.94	-46.62
CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049576	0	36	-1.0	-50.73	301.72	1.26	-49.47
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CCCO1	REAL250005049577	0	37	-1.0	-55.09	309.79	0.46	-54.63
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNN=C1	REAL250005049578	0	32	-1.0	-49.37	286.22	-2.76	-52.13
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005049578	1	32	-1.0	-52.42	285.38	-2.71	-55.13
CC1(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049579	0	39	-1.0	-50.96	324.90	1.92	-49.04
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005049580	0	32	-1.0	-51.62	287.78	-3.10	-54.72
C=CC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049581	0	39	-1.0	-50.92	320.45	1.53	-49.39
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049582	0	36	-1.0	-50.89	305.29	1.34	-49.55
CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005049583	0	39	-1.0	-48.62	316.22	1.73	-46.89
CCC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049584	0	35	-1.0	-50.24	300.08	0.74	-49.50
O=C(CCCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049585	0	35	-1.0	-51.86	300.39	0.85	-51.01
C[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049586	0	36	-1.0	-48.77	304.21	1.38	-47.39
CC(C)C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049587	0	38	-1.0	-52.69	320.24	1.22	-51.47
C=CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049588	0	39	-1.0	-49.47	328.11	2.05	-47.42
CCC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049589	0	41	-1.0	-50.63	325.91	1.63	-49.00
NC(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049590	0	30	-1.0	-47.70	267.65	-4.73	-52.43
CC1CC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049591	0	39	-1.0	-51.26	325.56	2.13	-49.13
CCC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049592	0	39	-1.0	-50.91	326.63	1.83	-49.08
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005049593	0	36	-1.0	-52.35	311.95	1.29	-51.06
CC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049594	0	38	-1.0	-50.51	311.69	1.13	-49.38
CC(C)C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049595	0	41	-1.0	-50.04	326.83	1.77	-48.27
CC[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049596	0	39	-1.0	-50.64	326.55	2.12	-48.52
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC12CC2	REAL250005049597	0	37	-1.0	-51.02	316.21	2.15	-48.87
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC(=O)N1	REAL250005049598	0	34	-1.0	-59.65	298.37	-3.42	-63.07
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CC(=O)N1	REAL250005049599	0	34	-1.0	-59.65	298.38	-3.42	-63.07
COC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049600	0	37	-1.0	-51.71	311.03	0.45	-51.26
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005049601	0	34	-1.0	-51.00	299.86	0.84	-50.16
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049602	0	33	-1.0	-51.18	286.16	0.46	-50.72
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049603	0	38	0.0	-73.30	307.89	0.66	-72.64
CN(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049603	1	37	-1.0	-49.72	305.81	-1.73	-51.45
C=CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049604	0	34	-1.0	-51.02	294.61	-1.51	-52.53
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005049605	0	34	-1.0	-51.60	290.61	-1.58	-53.18
CO[C@H](C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049606	0	36	-1.0	-54.36	305.82	-0.03	-54.39
CC=CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049607	0	37	-1.0	-50.80	316.31	-0.65	-51.45
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005049608	0	41	0.0	-72.34	327.07	1.04	-71.30
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005049608	1	40	-1.0	-51.65	321.04	-1.40	-53.05
CCC=C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049609	0	36	-1.0	-46.26	311.15	1.35	-44.91
CCC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049610	0	36	-1.0	-48.91	306.97	1.31	-47.60
CC(C)(CO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049612	0	39	-1.0	-48.59	320.09	-2.05	-50.64
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005049613	0	36	-1.0	-48.44	306.37	1.23	-47.21
O=C(CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049614	0	30	-1.0	-56.06	263.72	-3.01	-59.07
NC(=O)C=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049615	0	34	-1.0	-51.55	302.26	-3.42	-54.97
CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049616	0	33	-1.0	-52.00	284.05	-2.24	-54.24
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005049617	0	37	-1.0	-48.45	307.16	-1.82	-50.27
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005049618	0	37	-1.0	-50.76	316.09	-0.69	-51.45
C=CCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049619	0	39	-1.0	-48.47	324.48	1.84	-46.63
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005049620	0	33	-1.0	-48.06	289.61	0.80	-47.26
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005049621	0	41	0.0	-72.34	327.07	1.04	-71.30
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005049621	1	40	-1.0	-51.65	321.04	-1.40	-53.05
O=C(CCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049622	0	32	-1.0	-48.63	278.89	0.08	-48.55
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005049623	0	35	-1.0	-51.76	299.04	-4.14	-55.90
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005049624	0	37	-1.0	-51.62	316.16	2.13	-49.49
CCC1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049625	0	39	-1.0	-48.29	320.13	2.16	-46.13
O=C(CC1(O)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049626	0	37	-1.0	-55.43	314.89	-2.04	-57.47
O=C(C=CCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049627	0	33	-1.0	-50.90	292.06	0.67	-50.23
C#CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049628	0	34	-1.0	-49.31	299.58	1.22	-48.09
O=C(CN1CCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049629	0	38	-1.0	-53.03	314.75	-2.19	-55.22
O=C(C[NH+]1CCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049629	1	39	0.0	-73.08	318.20	1.13	-71.95
C#C[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049630	0	35	-1.0	-53.89	306.68	1.84	-52.05
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C2CCC21	REAL250005049631	0	37	-1.0	-50.83	306.54	2.00	-48.83
C=C1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049632	0	37	-1.0	-48.65	312.61	1.73	-46.92
C[C@H]1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005049633	0	39	-1.0	-49.61	314.29	1.86	-47.75
C[C@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005049634	0	41	0.0	-73.25	327.04	1.05	-72.20
C[C@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005049634	1	40	-1.0	-51.28	320.65	-1.40	-52.68
CC=CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049635	0	37	-1.0	-49.00	321.04	1.99	-47.01
COCC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049636	0	37	-1.0	-50.88	319.23	-0.41	-51.29
CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005049637	0	37	-1.0	-50.95	308.66	-0.95	-51.90
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005049638	0	34	-1.0	-54.65	291.91	-0.59	-55.24
[N-]=[N+]=NCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049639	0	34	-1.0	-48.54	302.44	-3.44	-51.98
C#CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049640	0	35	-1.0	-57.39	313.61	0.77	-56.62
CC(C)(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049641	0	36	-1.0	-48.93	303.73	-2.66	-51.59
CC1=CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049642	0	34	-1.0	-51.23	298.82	1.38	-49.85
CN(C)C(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049643	0	36	-1.0	-47.54	304.79	-1.22	-48.76
CSC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049644	0	34	-1.0	-48.51	307.93	0.86	-47.65
CCC(C)(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049645	0	39	-1.0	-48.90	320.35	-2.00	-50.90
CC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049646	0	41	0.0	-74.36	326.57	1.31	-73.05
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049646	1	41	0.0	-74.38	326.56	1.31	-73.07
CCN(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049646	1	40	-1.0	-51.32	324.72	-0.96	-52.28
C=C1CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005049647	0	37	-1.0	-52.00	313.07	1.68	-50.32
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005049648	0	36	-1.0	-52.71	303.68	1.31	-51.40
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005049649	0	33	-1.0	-55.02	290.63	-0.25	-55.27
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005049650	0	33	-1.0	-47.27	298.72	1.22	-46.05
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005049651	0	35	-1.0	-49.24	301.47	-0.22	-49.46
CCC[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049652	0	39	-1.0	-51.50	326.09	-0.62	-52.12
CC(C)[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049653	0	39	-1.0	-51.33	320.40	-0.71	-52.04
CCOC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049654	0	37	-1.0	-48.59	318.94	0.17	-48.42
C[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049655	0	33	-1.0	-51.62	284.14	-2.23	-53.85
O=C(CCCCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049656	0	38	-1.0	-49.66	321.89	1.63	-48.03
O=C(C=CCO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049657	0	34	-1.0	-52.21	296.98	-2.81	-55.02
COC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049658	0	39	-1.0	-54.42	317.71	0.44	-53.98
O=C(CCCCO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049659	0	39	-1.0	-50.46	326.72	-1.84	-52.30
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005049660	0	37	-1.0	-55.16	317.57	-2.20	-57.36
COC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049661	0	33	-1.0	-54.26	291.87	-1.26	-55.52
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC1CC2	REAL250005049662	0	37	-1.0	-50.92	312.27	1.89	-49.03
C=C[C@H](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049663	0	39	-1.0	-50.24	324.26	1.80	-48.44
O=C(C=CC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049664	0	37	-1.0	-50.65	318.80	2.11	-48.54
CC=C(CC)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049665	0	39	-1.0	-48.74	321.65	1.93	-46.81
C=CC(C)(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049666	0	37	-1.0	-49.00	313.92	-1.92	-50.92
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005049667	0	34	-1.0	-51.31	294.30	1.18	-50.13
CON=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049668	0	33	-1.0	-51.81	294.77	-1.48	-53.29
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005049669	0	33	-1.0	-47.62	289.34	0.74	-46.88
O=C(COCCO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049670	0	37	-1.0	-57.87	319.20	-2.90	-60.77
CC(C)(CF)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049671	0	38	-1.0	-47.65	315.74	1.24	-46.41
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005049672	0	34	-1.0	-48.19	297.28	-1.22	-49.41
COCC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049673	0	37	-1.0	-51.00	316.45	-2.91	-53.91
C#CC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049674	0	37	-1.0	-53.29	317.51	1.57	-51.72
O=C(COC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049675	0	37	-1.0	-55.36	318.20	1.00	-54.36
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005049676	0	33	-1.0	-50.69	291.83	-1.07	-51.76
CCCC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049677	0	39	-1.0	-48.71	328.46	2.09	-46.62
CC=C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049678	0	33	-1.0	-46.53	290.85	0.62	-45.91
CCC(CO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049679	0	39	-1.0	-48.54	318.62	-1.63	-50.17
CC(CO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049680	0	36	-1.0	-48.76	302.44	-2.68	-51.44
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CON=C1	REAL250005049681	0	32	-1.0	-51.14	286.97	-0.37	-51.51
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005049682	0	36	-1.0	-51.68	310.88	1.51	-50.17
C#CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049683	0	35	-1.0	-48.41	308.66	1.76	-46.65
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005049684	0	35	-1.0	-51.02	299.95	-0.25	-51.27
C[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049685	0	33	-1.0	-55.44	284.40	-2.26	-57.70
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C=CCC1	REAL250005049686	0	37	-1.0	-48.66	307.92	1.72	-46.94
CC(O)C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049687	0	39	-1.0	-53.96	317.21	-0.81	-54.77
C=C1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049688	0	34	-1.0	-50.59	297.34	1.25	-49.34
CC(CF)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049689	0	35	-1.0	-47.90	297.83	0.74	-47.16
C=C(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049690	0	36	-1.0	-50.98	307.77	1.11	-49.87
CCSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049691	0	36	-1.0	-53.45	317.78	1.24	-52.21
CC(C)=C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049692	0	39	-1.0	-48.23	316.14	1.92	-46.31
CCCC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049693	0	39	-1.0	-49.00	325.09	-0.61	-49.61
CCC(O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049694	0	39	-1.0	-54.64	325.42	-0.95	-55.59
CC(Cl)=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049695	0	33	-1.0	-50.44	297.85	1.05	-49.39
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049696	0	33	-1.0	-49.08	285.88	0.55	-48.53
CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005049697	0	36	-1.0	-49.94	307.73	1.36	-48.58
O=C(C1=CC(=O)[N-]O1)N1CCC(NC(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005049698	0	37	-1.0	-52.89	310.46	-2.20	-55.09
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049699	0	36	-1.0	-50.89	305.29	1.34	-49.55
CNC(=O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049700	0	36	-1.0	-63.46	309.34	-1.06	-64.52
C=CC=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049701	0	37	-1.0	-51.72	321.41	1.88	-49.84
NC(=O)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049702	0	36	-1.0	-51.25	309.99	-3.23	-54.48
CC(O)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049703	0	39	-1.0	-49.09	325.61	-1.80	-50.89
C#CCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049704	0	37	-1.0	-48.75	317.46	1.79	-46.96
CC(CCO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005049705	0	39	-1.0	-52.53	321.40	-2.10	-54.63
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005049706	0	33	-1.0	-52.37	290.41	-2.06	-54.43
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005049707	0	34	-1.0	-50.54	292.21	-2.42	-52.96
O=C(CC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049708	0	36	-1.0	-47.10	306.03	1.59	-45.51
CC(C)(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049709	0	35	-1.0	-45.44	295.48	0.46	-44.98
CC(F)(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049710	0	32	-1.0	-43.88	284.68	0.07	-43.81
COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049711	0	33	-1.0	-55.23	289.04	-0.55	-55.78
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049712	0	35	-1.0	-47.01	297.67	0.84	-46.17
O=C(NC1CCN(C(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005049713	0	33	-1.0	-50.81	291.89	0.42	-50.39
CC(=O)NCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049714	0	36	-1.0	-48.52	314.81	-2.27	-50.79
CC(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049715	0	38	-1.0	-46.58	314.40	1.43	-45.15
CC1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049716	0	36	-1.0	-46.94	305.96	1.45	-45.49
CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049717	0	36	-1.0	-55.33	310.89	0.41	-54.92
CC(C)=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049718	0	36	-1.0	-50.99	305.01	1.33	-49.66
O=C(NC1CCN(C(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005049719	0	37	-1.0	-50.53	308.43	0.51	-50.02
CSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049720	0	33	-1.0	-54.20	299.38	0.50	-53.70
CSCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049721	0	36	-1.0	-46.23	320.89	1.32	-44.91
CC(C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049722	0	41	-1.0	-46.93	336.72	2.13	-44.80
O=C(NC1CCN(C(=O)C2=CC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005049723	0	34	-1.0	-53.90	292.93	0.32	-53.58
O=C(NC1CCN(C(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005049724	0	33	-1.0	-47.34	288.93	0.03	-47.31
CCCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049725	0	41	-1.0	-47.03	340.67	2.40	-44.63
CC(C)(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049726	0	41	-1.0	-45.78	329.35	1.96	-43.82
CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049727	0	38	-1.0	-47.11	319.15	1.61	-45.50
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049728	0	35	-1.0	-46.95	295.48	0.57	-46.38
CCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049729	0	38	-1.0	-46.88	313.99	1.21	-45.67
CCC(CC)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049730	0	41	-1.0	-46.70	333.31	1.85	-44.85
O=C(NC1CCN(C(=O)C2=NNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005049731	0	33	-1.0	-52.89	290.46	-0.98	-53.87
O=C(NC1CCN(C(=O)C2=CC=NN2)C1)C1=CC(=O)[N-]O1	REAL250005049731	1	33	-1.0	-46.29	287.87	-1.16	-47.45
CSC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049732	0	36	-1.0	-49.02	314.87	0.95	-48.07
CCOC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049733	0	39	-1.0	-50.09	325.72	0.92	-49.17
O=C(NC1CCN(C(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005049734	0	33	-1.0	-48.21	287.33	-1.60	-49.81
COCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049735	0	39	-1.0	-49.68	331.33	-0.10	-49.78
O=C(NC1CCN(C(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005049736	0	32	-1.0	-51.11	287.37	-0.28	-51.39
CCC=C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049737	0	39	-1.0	-47.53	316.56	1.58	-45.95
COC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049738	0	36	-1.0	-50.15	303.75	-0.06	-50.21
CC(C)OCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049739	0	39	-1.0	-50.10	331.02	1.16	-48.94
CCCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049740	0	39	-1.0	-55.12	332.39	1.21	-53.91
O=C(NC1CCN(C(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005049741	0	37	-1.0	-46.70	306.01	-0.81	-47.51
CCC(OC)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049742	0	39	-1.0	-49.78	321.40	0.55	-49.23
COC(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049743	0	39	-1.0	-48.59	328.97	0.68	-47.91
C=CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049744	0	36	-1.0	-46.89	310.47	1.40	-45.49
CCOCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049745	0	39	-1.0	-46.53	331.68	0.12	-46.41
COCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049746	0	39	-1.0	-46.28	327.82	-0.32	-46.60
C=CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049747	0	37	-1.0	-55.63	323.80	0.99	-54.64
O=C(NC1CCN(C(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005049748	0	32	-1.0	-50.81	286.52	-2.27	-53.08
CC(C#N)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049749	0	33	-1.0	-53.55	294.50	0.19	-53.36
CCCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049750	0	41	-1.0	-46.97	334.67	1.96	-45.01
O=C(CCC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049751	0	39	-1.0	-47.09	329.26	2.40	-44.69
O=C(NC1CCN(C(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005049752	0	37	-1.0	-46.94	305.92	1.68	-45.26
O=C(CC1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049753	0	39	-1.0	-47.21	323.98	2.14	-45.07
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005049754	0	39	-1.0	-45.75	324.49	2.04	-43.71
CC=C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049755	0	36	-1.0	-51.55	309.31	1.19	-50.36
CC1CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005049756	0	39	-1.0	-46.61	322.61	1.94	-44.67
O=C(C=C1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049757	0	37	-1.0	-51.42	313.46	2.03	-49.39
CC(C)=C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049758	0	36	-1.0	-47.28	306.97	1.26	-46.02
O=C(NC1CCN(C(=O)C2=CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005049759	0	37	-1.0	-47.39	305.24	1.54	-45.85
CC1(C)CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049760	0	39	-1.0	-46.20	322.07	2.02	-44.18
CC1(C)C[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049761	0	39	-1.0	-46.17	321.18	2.00	-44.17
O=C(NC1CCN(C(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005049762	0	37	-1.0	-50.85	309.27	0.48	-50.37
CCC(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049763	0	41	-1.0	-46.60	332.63	2.09	-44.51
C#CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049764	0	37	-1.0	-49.85	324.94	2.14	-47.71
CC(C)(O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049765	0	39	-1.0	-49.81	323.16	-0.83	-50.64
CC(C)[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049766	0	39	-1.0	-46.34	317.88	-0.76	-47.10
CCC(C)=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049767	0	39	-1.0	-50.65	326.61	2.08	-48.57
CC(C)C#CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049768	0	37	-1.0	-51.62	325.71	2.08	-49.54
O=C(C#CC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049769	0	35	-1.0	-51.81	315.35	2.25	-49.56
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049770	0	32	-1.0	-47.27	276.18	0.08	-47.19
COCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049771	0	36	-1.0	-46.62	309.83	-0.85	-47.47
O=C(NC1CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005049772	0	33	-1.0	-46.83	286.28	0.78	-46.05
O=C(NC1CCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005049773	0	36	-1.0	-46.70	301.20	1.29	-45.41
O=C(NC1CCN(C(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005049774	0	39	-1.0	-46.83	315.00	1.75	-45.08
C=CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049775	0	39	-1.0	-47.41	331.96	2.19	-45.22
CCC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049776	0	41	-1.0	-47.13	317.94	1.17	-45.96
NC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049777	0	30	-1.0	-47.18	268.63	-4.67	-51.85
CC1CC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049778	0	39	-1.0	-47.17	326.44	2.25	-44.92
CCC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049779	0	39	-1.0	-46.78	324.52	1.82	-44.96
CC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049780	0	38	-1.0	-46.74	303.84	0.72	-46.02
C=C(C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049781	0	39	-1.0	-46.51	331.82	2.06	-44.45
O=C(NC1CCN(C(=O)C2(CF)CC2)C1)C1=CC(=O)[N-]O1	REAL250005049782	0	36	-1.0	-46.00	308.61	1.22	-44.78
CC(C)C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049783	0	41	-1.0	-46.88	332.11	1.72	-45.16
CC[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049784	0	39	-1.0	-46.69	327.46	2.22	-44.47
O=C(NC1CCN(C(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005049785	0	37	-1.0	-47.31	318.46	2.28	-45.03
O=C(NC1CCN(C(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005049786	0	37	-1.0	-50.23	307.08	0.50	-49.73
CC1(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049787	0	39	-1.0	-46.50	326.28	2.09	-44.41
CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049788	0	36	-1.0	-46.70	304.10	1.12	-45.58
O=C(NC1CCN(C(=O)C2=CNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005049789	0	34	-1.0	-48.55	292.76	-0.15	-48.70
O=C(NC1CCN(C(=O)C2=CN=CO2)C1)C1=CC(=O)[N-]O1	REAL250005049790	0	32	-1.0	-51.18	286.68	-2.88	-54.06
C=CC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049791	0	39	-1.0	-47.23	312.99	1.09	-46.14
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049792	0	36	-1.0	-47.04	307.57	1.48	-45.56
CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005049793	0	39	-1.0	-47.14	315.11	1.45	-45.69
CCC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049794	0	35	-1.0	-47.50	302.56	0.80	-46.70
O=C(CCCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049795	0	35	-1.0	-49.74	304.25	0.97	-48.77
C[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049796	0	36	-1.0	-46.96	307.51	1.48	-45.48
CC(C)C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049797	0	38	-1.0	-47.88	321.79	1.27	-46.61
O=C(NC1CCN(C(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005049798	0	32	-1.0	-49.17	286.16	-2.50	-51.67
O=C(CO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049799	0	30	-1.0	-57.11	266.78	-2.83	-59.94
NC(=O)C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049800	0	34	-1.0	-52.33	305.57	-3.34	-55.67
COC(=O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049801	0	35	-1.0	-54.73	308.10	1.06	-53.67
CSC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049802	0	34	-1.0	-50.81	311.11	0.92	-49.89
NC(=O)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049803	0	36	-1.0	-48.89	313.84	-3.10	-51.99
O=C(NC1CCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005049804	0	34	-1.0	-51.32	291.92	-0.43	-51.75
O=C(NC1CCN(C(=O)C2(Cl)CC2)C1)C1=CC(=O)[N-]O1	REAL250005049805	0	33	-1.0	-44.72	297.10	1.04	-43.68
O=C(NC1CCN(C(=O)C2=CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005049806	0	35	-1.0	-49.21	300.19	0.14	-49.07
O=C(NC1CCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005049807	0	34	-1.0	-47.47	293.43	-1.46	-48.93
O=C(C=CCO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049808	0	34	-1.0	-55.56	300.27	-2.75	-58.31
CC=CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049809	0	37	-1.0	-47.17	313.97	-0.69	-47.86
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005049810	0	41	0.0	-68.49	327.25	1.09	-67.40
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005049810	1	40	-1.0	-47.17	319.47	-1.44	-48.61
CCC=C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049811	0	36	-1.0	-47.56	311.95	1.30	-46.26
CCC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049812	0	36	-1.0	-51.78	310.26	1.37	-50.41
[N-]=[N+]=NCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049813	0	34	-1.0	-46.13	306.29	-3.31	-49.44
C#CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049814	0	35	-1.0	-58.23	316.68	0.95	-57.28
CC(O)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049815	0	39	-1.0	-47.01	329.46	-1.67	-48.68
C#CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049816	0	34	-1.0	-47.02	303.43	1.35	-45.67
CC=CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049817	0	37	-1.0	-51.90	324.32	2.05	-49.85
COCC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049818	0	37	-1.0	-54.04	322.52	-0.35	-54.39
CCC(C)(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049819	0	39	-1.0	-45.61	317.50	-1.75	-47.36
C#CCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049820	0	37	-1.0	-46.64	320.60	1.73	-44.91
C=CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049821	0	34	-1.0	-47.39	294.96	-1.72	-49.11
O=C(NC1CCN(C(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005049822	0	37	-1.0	-46.98	311.01	1.88	-45.10
C=C[C@H](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049823	0	39	-1.0	-46.40	327.20	1.95	-44.45
O=C(C=CC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049824	0	37	-1.0	-51.69	321.10	2.21	-49.48
CCC(C#N)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049825	0	36	-1.0	-48.54	312.31	0.69	-47.85
O=C(NC1CCN(C(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005049826	0	37	-1.0	-46.92	308.71	2.12	-44.80
C=C1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049827	0	37	-1.0	-46.26	313.09	1.72	-44.54
C[C@H]1C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005049828	0	39	-1.0	-46.59	324.14	2.00	-44.59
CC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049829	0	41	0.0	-70.30	328.32	1.42	-68.88
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049829	1	41	0.0	-70.15	329.47	1.45	-68.70
CCN(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049829	1	40	-1.0	-47.36	327.65	-0.83	-48.19
CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049830	0	33	-1.0	-47.93	282.28	-2.25	-50.18
CC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049831	0	31	-1.0	-47.02	275.54	-0.85	-47.87
N#CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049832	0	36	-1.0	-55.63	318.51	1.36	-54.27
N#CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049833	0	34	-1.0	-45.95	300.86	0.68	-45.27
C=C1CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005049834	0	37	-1.0	-46.50	316.42	1.84	-44.66
O=C(NC1CCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005049835	0	33	-1.0	-44.90	289.98	0.73	-44.17
COC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049836	0	39	-1.0	-44.71	315.95	-0.43	-45.14
CC(CC#N)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049837	0	36	-1.0	-47.96	314.17	0.90	-47.06
CCC1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049838	0	39	-1.0	-46.38	323.33	2.25	-44.13
C=CC(C)(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049839	0	37	-1.0	-45.94	311.07	-1.66	-47.60
CCCC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049840	0	39	-1.0	-51.62	331.76	2.15	-49.47
CC=C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049841	0	33	-1.0	-47.89	291.65	0.56	-47.33
C[C@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005049842	0	41	0.0	-68.69	327.25	1.10	-67.59
C[C@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005049842	1	40	-1.0	-47.13	315.85	-1.60	-48.73
CCOC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049843	0	37	-1.0	-50.65	322.14	0.25	-50.40
CC(=O)OCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049844	0	35	-1.0	-53.66	312.39	1.04	-52.62
CC(=O)C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049845	0	35	-1.0	-50.94	312.43	0.50	-50.44
O=C(COC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049846	0	37	-1.0	-51.11	321.10	1.21	-49.90
O=C(NC1CCN(C(=O)C2=NC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005049847	0	33	-1.0	-50.20	290.67	-0.48	-50.68
CC(CO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049848	0	36	-1.0	-46.67	306.69	-2.74	-49.41
O=C(NC1CCN(C(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005049849	0	32	-1.0	-54.25	283.66	-0.49	-54.74
O=C(CCCCO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049850	0	39	-1.0	-48.37	330.59	-1.72	-50.09
O=C(NC1CCN(C(=O)C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005049851	0	35	-1.0	-46.49	305.76	0.79	-45.70
O=C(CC1(O)CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049852	0	37	-1.0	-50.61	316.48	-1.92	-52.53
O=C(NC1CCN(C(=O)C2CCC2F)C1)C1=CC(=O)[N-]O1	REAL250005049853	0	36	-1.0	-47.46	309.60	1.42	-46.04
O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2CF)C1)C1=CC(=O)[N-]O1	REAL250005049854	0	36	-1.0	-49.00	314.20	1.60	-47.40
CCC(CO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049855	0	39	-1.0	-46.92	325.29	-2.07	-48.99
N#C[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049856	0	34	-1.0	-57.85	302.44	1.09	-56.76
O=C(NC1CCN(C(=O)C2=COCC2)C1)C1=CC(=O)[N-]O1	REAL250005049857	0	35	-1.0	-47.78	295.02	-0.49	-48.27
O=C(NC1CCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005049858	0	34	-1.0	-45.39	297.73	-2.62	-48.01
O=C(NC1CCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005049859	0	34	-1.0	-48.04	292.54	1.18	-46.86
CC(CF)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049860	0	35	-1.0	-45.62	300.96	0.68	-44.94
CC(Cl)=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049861	0	33	-1.0	-53.26	301.48	1.13	-52.13
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049862	0	33	-1.0	-52.04	289.17	0.62	-51.42
CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005049863	0	36	-1.0	-45.26	310.16	1.24	-44.02
O=C(C=CCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049864	0	33	-1.0	-54.06	295.35	0.73	-53.33
O=C(NC1CCN(C(=O)C2(CO)CC2)C1)C1=CC(=O)[N-]O1	REAL250005049865	0	37	-1.0	-50.58	315.11	-2.21	-52.79
O=C(NC1CCN(C(=O)C2=CC=NO2)C1)C1=CC(=O)[N-]O1	REAL250005049866	0	32	-1.0	-48.35	287.45	-0.37	-48.72
C[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049868	0	33	-1.0	-47.76	281.34	-2.31	-50.07
CON=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049869	0	33	-1.0	-53.40	298.07	-1.44	-54.84
CC(C)[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049870	0	39	-1.0	-46.94	317.63	-0.81	-47.75
C#CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049871	0	35	-1.0	-45.99	306.57	1.51	-44.48
C=CC=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049872	0	37	-1.0	-47.74	324.32	2.04	-45.70
C#C[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049873	0	35	-1.0	-49.96	307.47	1.95	-48.01
CC=C(CC)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049874	0	39	-1.0	-47.12	329.46	1.91	-45.21
COC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049875	0	33	-1.0	-54.75	293.58	-1.18	-55.93
COCC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049876	0	37	-1.0	-47.45	315.50	-3.00	-50.45
N#C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049877	0	34	-1.0	-48.64	307.14	1.23	-47.41
O=C(NC1CCN(C(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005049878	0	37	-1.0	-50.31	314.36	-2.09	-52.40
O=C(COCCO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049879	0	37	-1.0	-58.80	322.26	-2.72	-61.52
CC(C)(CF)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049880	0	38	-1.0	-45.47	308.64	0.79	-44.68
CC(C)(CO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049881	0	39	-1.0	-46.73	312.99	-2.45	-49.18
C=CCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049882	0	39	-1.0	-46.67	326.38	1.75	-44.92
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049883	0	36	-1.0	-47.04	307.57	1.48	-45.56
CC(C)(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049884	0	36	-1.0	-45.66	300.89	-2.42	-48.08
O=C(NC1CCN(C(=O)C2=NOCC2)C1)C1=CC(=O)[N-]O1	REAL250005049885	0	34	-1.0	-47.66	297.30	-0.99	-48.65
CC(C#N)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049886	0	36	-1.0	-47.74	313.70	1.11	-46.63
CC(CCO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049887	0	39	-1.0	-50.60	324.59	-2.15	-52.75
O=C(NC1CCN(C(=O)[C@H](O)CF)C1)C1=CC(=O)[N-]O1	REAL250005049888	0	33	-1.0	-47.41	288.54	-2.11	-49.52
O=C(NC1CCN(C(=O)C2(O)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005049889	0	37	-1.0	-45.44	310.93	-1.89	-47.33
O=C(NC1CCN(C(=O)C(O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005049890	0	37	-1.0	-46.70	309.85	-0.52	-47.22
C=C(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049891	0	36	-1.0	-47.07	310.44	1.26	-45.81
CC(C)(C#N)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049892	0	36	-1.0	-47.71	306.50	0.29	-47.42
CCSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049893	0	36	-1.0	-54.08	320.84	1.40	-52.68
CC(C)=C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049894	0	39	-1.0	-47.11	326.87	1.87	-45.24
CNC(=O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049895	0	36	-1.0	-58.76	312.24	-0.87	-59.63
O=C(NC1CCN(C(=O)C2CC(F)C2)C1)C1=CC(=O)[N-]O1	REAL250005049896	0	36	-1.0	-46.26	309.39	1.43	-44.83
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049897	0	33	-1.0	-47.24	289.08	0.62	-46.62
C[NH+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049898	0	38	0.0	-70.94	311.76	0.77	-70.17
CN(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049898	1	37	-1.0	-47.48	309.68	-1.62	-49.10
N#CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049899	0	30	-1.0	-60.71	275.78	-0.26	-60.97
O=C(NC1CCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005049900	0	33	-1.0	-45.33	291.39	0.88	-44.45
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005049901	0	41	0.0	-68.49	327.25	1.09	-67.40
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005049901	1	40	-1.0	-47.17	319.47	-1.44	-48.61
O=C(CCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049902	0	32	-1.0	-46.20	282.74	0.22	-45.98
O=C(NC1CCN(C(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005049903	0	37	-1.0	-47.35	310.55	1.74	-45.61
C#CC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049904	0	37	-1.0	-45.39	312.52	1.22	-44.17
CO[C@H](C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049905	0	36	-1.0	-48.37	303.69	-0.06	-48.43
CC(=O)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049906	0	37	-1.0	-47.36	320.86	0.75	-46.61
C[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049907	0	33	-1.0	-51.01	282.52	-2.25	-53.26
O=C(CN1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049908	0	38	-1.0	-48.36	316.44	-2.06	-50.42
O=C(C[NH+]1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049908	1	39	0.0	-70.48	322.10	1.24	-69.24
CC(O)C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049909	0	39	-1.0	-49.29	321.06	-1.90	-51.19
C=C1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049910	0	34	-1.0	-46.93	299.60	1.37	-45.56
COC(OC)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049911	0	37	-1.0	-48.68	310.84	-0.85	-49.53
CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005049912	0	37	-1.0	-48.96	304.80	-1.28	-50.24
O=C(NC1CCN(C(=O)C2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005049913	0	34	-1.0	-54.38	301.06	-3.27	-57.65
O=C(NC1CCN(C(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005049914	0	34	-1.0	-54.26	299.55	-3.31	-57.57
CCC[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049915	0	39	-1.0	-47.05	324.70	-0.69	-47.74
O=C(NC1CCN(C(=O)C2(F)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005049916	0	36	-1.0	-44.67	306.39	1.27	-43.40
O=C(NC1CCN(C(=O)C2=CNC=N2)C1)C1=CC(=O)[N-]O1	REAL250005049917	0	33	-1.0	-53.27	290.43	0.36	-52.91
O=C(NC1CCN(C(=O)C2=CN=CN2)C1)C1=CC(=O)[N-]O1	REAL250005049917	1	33	-1.0	-54.71	287.68	0.08	-54.63
O=C(NC1CCN(C(=O)C2CC(=O)C2)C1)C1=CC(=O)[N-]O1	REAL250005049918	0	35	-1.0	-48.89	305.53	0.42	-48.47
O=C(NC1CCN(C(=O)C2(O)COC2)C1)C1=CC(=O)[N-]O1	REAL250005049919	0	35	-1.0	-46.12	299.72	-4.03	-50.15
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005049920	0	37	-1.0	-46.78	322.12	2.15	-44.63
CC1=CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049921	0	34	-1.0	-47.36	300.78	1.51	-45.85
CN(C)C(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049922	0	36	-1.0	-46.77	305.44	-1.15	-47.92
CCCC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049923	0	39	-1.0	-47.08	324.15	-0.71	-47.79
CCC(O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049924	0	39	-1.0	-50.44	328.34	-0.77	-51.21
O=C(CCCCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049925	0	38	-1.0	-47.54	325.76	1.76	-45.78
O=C(NC1CCN(C(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005049926	0	34	-1.0	-54.81	299.02	-3.67	-58.48
COC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005049927	0	37	-1.0	-45.14	318.61	-0.37	-45.51
O=C(NC1CCN(C(=O)C2CSC2)C1)C1=CC(=O)[N-]O1	REAL250005049928	0	34	-1.0	-51.42	300.49	0.89	-50.53
C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005049929	0	30	-1.0	-52.14	267.44	-0.26	-52.40
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005049930	0	34	-1.0	-58.52	298.13	-3.63	-62.15
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005049931	0	36	-1.0	-49.79	306.72	1.28	-48.51
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005049932	0	32	-1.0	-48.14	286.40	-0.33	-48.47
CCC(=O)NC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005049933	0	39	-1.0	-48.36	315.54	2.09	-46.27
CC(=O)NC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005049934	0	36	-1.0	-48.76	294.95	1.27	-47.49
O=C(CO)NC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005049935	0	37	-1.0	-52.88	306.01	-0.84	-53.72
CCC(=O)N1CCC2(CC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049936	0	39	-1.0	-47.90	318.41	2.29	-45.61
CC(=O)N1CCC2(CC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049937	0	36	-1.0	-48.32	298.09	1.52	-46.80
O=C(CO)N1CCC2(CC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049938	0	37	-1.0	-52.55	308.87	-0.60	-53.15
C=CC(=O)N1CCC2(CC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049939	0	37	-1.0	-48.41	309.23	1.99	-46.42
CCCN(C(C)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005049940	0	41	-1.0	-52.78	317.96	3.30	-49.48
CCCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(C)=O)CC1	REAL250005049941	0	41	-1.0	-53.59	318.79	3.37	-50.22
CCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049942	0	35	-1.0	-44.16	297.68	0.19	-43.97
COCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049943	0	39	-1.0	-44.55	331.36	-0.74	-45.29
CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049944	0	32	-1.0	-44.52	277.39	-0.64	-45.16
O=C(NC(CNC(=O)C1CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005049945	0	36	-1.0	-44.20	305.28	1.49	-42.71
O=C(NC(CNC(=O)C1CCC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005049946	0	39	-1.0	-43.88	321.48	1.99	-41.89
O=C(CC1CC1)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049947	0	39	-1.0	-44.10	328.60	1.72	-42.38
CC(C)(F)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049948	0	38	-1.0	-44.55	324.14	0.84	-43.71
COCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049949	0	36	-1.0	-46.68	310.40	-0.46	-47.14
CCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049950	0	38	-1.0	-43.92	319.19	0.96	-42.96
CC(C)CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049951	0	41	-1.0	-43.56	335.91	1.53	-42.03
CC1CC1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049952	0	39	-1.0	-43.89	329.58	1.63	-42.26
CCOCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049953	0	39	-1.0	-46.63	332.27	0.51	-46.12
CC(C)=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049954	0	39	-1.0	-43.93	327.10	1.49	-42.44
CSCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049955	0	36	-1.0	-45.77	320.74	0.61	-45.16
CCCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049956	0	41	-1.0	-43.91	340.68	1.74	-42.17
CC(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049957	0	38	-1.0	-43.67	317.23	0.84	-42.83
CCC(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049958	0	41	-1.0	-43.52	335.36	1.49	-42.03
COC(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049959	0	39	-1.0	-46.06	329.39	0.28	-45.78
C=CCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049960	0	39	-1.0	-44.00	332.00	1.52	-42.48
CC=C(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049961	0	39	-1.0	-44.24	325.99	1.45	-42.79
CC1(C(=O)NCC(NC(=O)C2=CC(=O)[N-]O2)C2CC2)CC1	REAL250005049962	0	39	-1.0	-43.93	323.03	2.07	-41.86
C[C@@H]1C[C@H]1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049963	0	39	-1.0	-44.04	329.56	1.61	-42.43
CCC(F)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049964	0	38	-1.0	-44.20	325.45	0.98	-43.22
O=C(CCCF)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049965	0	38	-1.0	-45.80	325.77	1.09	-44.71
C[C@H]1C[C@@H]1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049966	0	39	-1.0	-44.18	326.66	2.15	-42.03
NC(=O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049967	0	33	-1.0	-47.17	293.04	-4.49	-51.66
CC(C)(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049968	0	41	-1.0	-43.49	336.12	1.40	-42.09
C=CCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049969	0	36	-1.0	-44.33	310.59	0.72	-43.61
C[NH+](C)CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049970	0	41	0.0	-63.28	333.27	0.89	-62.39
CN(C)CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049970	1	40	-1.0	-44.50	331.18	-1.49	-45.99
C=CC(O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049971	0	37	-1.0	-44.31	319.05	-1.22	-45.53
O=C(NC(CNC(=O)C1COC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005049972	0	37	-1.0	-44.87	312.12	-0.78	-45.65
CO[C@H](C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049973	0	39	-1.0	-46.22	327.26	0.78	-45.44
CCC=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049974	0	39	-1.0	-44.26	332.34	1.54	-42.72
O=C(CO)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049976	0	33	-1.0	-48.06	288.15	-2.74	-50.80
CC(O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049977	0	36	-1.0	-47.37	308.02	-1.95	-49.32
O=C(NC(CNC(=O)C1CC1F)C1CC1)C1=CC(=O)[N-]O1	REAL250005049978	0	36	-1.0	-44.01	315.00	1.04	-42.97
O=C(CCF)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049979	0	35	-1.0	-44.11	304.28	0.33	-43.78
O=C(C=CCF)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049980	0	36	-1.0	-45.87	317.44	0.89	-44.98
C#CCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049981	0	37	-1.0	-44.65	324.97	1.47	-43.18
O=C(NC(CNC(=O)C1CCO1)C1CC1)C1=CC(=O)[N-]O1	REAL250005049982	0	37	-1.0	-47.29	316.14	-0.19	-47.48
CC(C)(O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049983	0	39	-1.0	-44.09	328.16	-2.40	-46.49
CC1=CC1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049984	0	37	-1.0	-45.51	320.28	2.19	-43.32
C[C@@H](O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049985	0	36	-1.0	-45.18	305.55	-1.43	-46.61
O=C(C=CCO)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049986	0	37	-1.0	-47.12	322.36	-2.58	-49.70
O=C(NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1)C1=CCC1	REAL250005049987	0	37	-1.0	-44.89	315.24	1.98	-42.91
CON=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049988	0	36	-1.0	-47.02	320.14	-1.26	-48.28
O=C(NC(CNC(=O)C1(F)CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005049989	0	36	-1.0	-44.15	311.48	1.52	-42.63
CC=C(F)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049990	0	36	-1.0	-44.36	316.23	0.85	-43.51
CC(CO)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049991	0	39	-1.0	-44.60	327.81	-2.44	-47.04
C[C@H](O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049992	0	36	-1.0	-45.07	308.47	-1.95	-47.02
C=C1CC1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049993	0	37	-1.0	-44.33	321.75	1.53	-42.80
CC(CF)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049994	0	38	-1.0	-43.38	323.02	0.97	-42.41
C=C(C)CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049995	0	39	-1.0	-44.10	332.20	1.38	-42.72
CC=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049996	0	36	-1.0	-44.44	311.25	0.78	-43.66
C[C@@H]1C[C@H]1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049997	0	39	-1.0	-44.04	329.56	1.61	-42.43
O=C(NC(CNC(=O)C1(O)CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005049998	0	37	-1.0	-44.25	313.59	-1.59	-45.84
O=C(CC1CC1)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005049999	0	39	-1.0	-44.29	328.63	1.71	-42.58
CC(C)(F)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050000	0	38	-1.0	-42.66	324.51	0.83	-41.83
COCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050001	0	36	-1.0	-47.26	307.49	-0.04	-47.30
CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050002	0	38	-1.0	-44.29	316.27	1.46	-42.83
CC(C)CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050003	0	41	-1.0	-43.78	332.99	2.06	-41.72
CC1CC1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050004	0	39	-1.0	-44.24	326.66	2.15	-42.09
CCOCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050005	0	39	-1.0	-47.24	329.34	0.92	-46.32
CC(C)=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050006	0	39	-1.0	-43.70	327.16	1.47	-42.23
CSCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050007	0	36	-1.0	-46.33	317.83	1.13	-45.20
CCCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050008	0	41	-1.0	-44.32	337.76	2.24	-42.08
CC(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050009	0	38	-1.0	-43.98	317.23	0.85	-43.13
CCC(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050010	0	41	-1.0	-43.79	335.36	1.49	-42.30
COC(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050011	0	39	-1.0	-46.59	329.39	0.20	-46.39
C=CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050012	0	39	-1.0	-44.11	329.08	2.02	-42.09
CC(C#N)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050013	0	36	-1.0	-50.11	316.66	0.47	-49.64
CC=C(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050014	0	39	-1.0	-44.41	325.99	1.47	-42.94
CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050015	0	35	-1.0	-44.38	297.69	0.17	-44.21
COCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050016	0	39	-1.0	-44.75	328.44	-0.23	-44.98
CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050017	0	32	-1.0	-44.75	277.38	-0.64	-45.39
O=C(NCC(NC(=O)C1CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005050018	0	36	-1.0	-44.25	308.21	0.94	-43.31
O=C(NCC(NC(=O)C1CCC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005050019	0	39	-1.0	-44.03	324.40	1.46	-42.57
NC(=O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050020	0	33	-1.0	-45.59	293.03	-4.49	-50.08
CC(C)(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050021	0	41	-1.0	-43.79	336.12	1.40	-42.39
CC1(C(=O)NC(CNC(=O)C2=CC(=O)[N-]O2)C2CC2)CC1	REAL250005050022	0	39	-1.0	-43.98	325.96	1.54	-42.44
C[C@@H]1C[C@H]1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050023	0	39	-1.0	-44.18	326.66	2.15	-42.03
CCC(F)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050024	0	38	-1.0	-46.01	322.54	1.51	-44.50
O=C(CCCF)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050025	0	38	-1.0	-46.46	322.86	1.60	-44.86
C[C@H]1C[C@@H]1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050026	0	39	-1.0	-44.22	326.67	2.15	-42.07
O=C(CO)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050027	0	33	-1.0	-48.66	285.24	-2.32	-50.98
O=C(NCC(NC(=O)C1CCO1)C1CC1)C1=CC(=O)[N-]O1	REAL250005050028	0	37	-1.0	-47.75	313.23	0.23	-47.52
O=C(NCC(NC(=O)C1COC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005050029	0	37	-1.0	-45.19	312.12	-0.80	-45.99
O=C(C=CCO)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050030	0	37	-1.0	-47.67	322.36	-2.58	-50.25
CCC=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050031	0	39	-1.0	-44.34	332.34	1.54	-42.80
C#CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050032	0	37	-1.0	-44.88	322.05	1.98	-42.90
C=CC(O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050033	0	37	-1.0	-44.28	319.05	-1.35	-45.63
CC(O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050034	0	36	-1.0	-44.65	308.49	-2.08	-46.73
CC(=O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050035	0	34	-1.0	-44.17	300.43	-0.70	-44.87
O=C(NCC(NC(=O)C1(F)CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005050036	0	36	-1.0	-44.39	314.59	0.99	-43.40
CC=C(F)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050037	0	36	-1.0	-43.45	316.22	0.86	-42.59
CC(CO)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050038	0	39	-1.0	-44.93	327.82	-2.44	-47.37
O=C(NCC(NC(=O)C1(O)CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005050039	0	37	-1.0	-45.07	316.52	-2.13	-47.20
O=C(NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1)C1=CCC1	REAL250005050040	0	37	-1.0	-45.06	315.75	2.05	-43.01
CC(CF)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050041	0	38	-1.0	-43.75	323.22	0.98	-42.77
CC=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050042	0	36	-1.0	-44.48	311.25	0.78	-43.70
O=C(C=CCF)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050043	0	36	-1.0	-46.53	317.44	0.89	-45.64
C[C@H](O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050045	0	36	-1.0	-45.63	308.49	-2.08	-47.71
CON=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050046	0	36	-1.0	-47.35	320.14	-1.25	-48.60
C[C@@H]1C[C@H]1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050047	0	39	-1.0	-44.18	326.66	2.15	-42.03
CC(C)(O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050048	0	39	-1.0	-43.90	328.17	-2.41	-46.31
C=C(C)CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050049	0	39	-1.0	-44.52	329.03	1.88	-42.64
C=CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050050	0	36	-1.0	-44.47	307.68	1.24	-43.23
C[NH+](C)CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050051	0	41	0.0	-64.24	330.35	1.42	-62.82
CN(C)CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050051	1	40	-1.0	-44.78	328.27	-0.96	-45.74
N#CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050052	0	33	-1.0	-52.38	294.23	0.38	-52.00
O=C(NCC(NC(=O)C1CC1F)C1CC1)C1=CC(=O)[N-]O1	REAL250005050053	0	36	-1.0	-44.69	315.00	1.04	-43.65
O=C(CCF)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050054	0	35	-1.0	-44.30	301.36	0.84	-43.46
CO[C@H](C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050055	0	39	-1.0	-46.79	326.90	0.65	-46.14
C[C@@H](O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050056	0	36	-1.0	-45.78	305.19	-1.56	-47.34
C=C1CC1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050057	0	37	-1.0	-44.55	321.77	1.51	-43.04
CC1=CC1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050058	0	37	-1.0	-45.46	320.32	2.17	-43.29
C=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005050059	0	33	-1.0	-44.64	289.53	-0.11	-44.75
CCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050060	0	41	-1.0	-59.42	320.81	3.19	-56.23
CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050061	0	38	-1.0	-55.73	299.09	2.36	-53.37
CN(CC1CCCN(C(=O)CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005050062	0	39	-1.0	-64.32	311.08	0.36	-63.96
CCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050063	0	41	-1.0	-50.67	319.74	3.04	-47.63
CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050064	0	38	-1.0	-50.57	299.84	2.33	-48.24
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CO	REAL250005050065	0	39	-1.0	-55.55	310.21	0.06	-55.49
C=CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050066	0	39	-1.0	-51.17	311.53	2.76	-48.41
CCC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050067	0	36	-1.0	-48.12	288.20	2.77	-45.35
CC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050068	0	33	-1.0	-48.38	266.90	1.95	-46.43
O=C(C1=CC(=O)[N-]O1)N1CC2CCC(C1)N2C(=O)C1CC1	REAL250005050069	0	37	-1.0	-44.62	298.42	3.54	-41.08
COCC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050070	0	37	-1.0	-50.78	301.05	2.18	-48.60
CCCC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050071	0	39	-1.0	-47.82	309.84	3.53	-44.29
CC(C)C(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050072	0	39	-1.0	-47.47	306.24	3.13	-44.34
NC(=O)C(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050073	0	34	-1.0	-44.12	280.30	-1.90	-46.02
C=CCC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050074	0	37	-1.0	-48.04	301.25	3.30	-44.74
O=C(CO)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050075	0	34	-1.0	-52.76	278.79	-0.11	-52.87
CC(O)C(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050076	0	37	-1.0	-48.59	295.41	0.46	-48.13
O=C(CCF)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050077	0	36	-1.0	-46.87	294.92	2.91	-43.96
C[C@@H](O)C(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050078	0	37	-1.0	-48.63	295.52	0.47	-48.16
C[C@H](O)C(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050079	0	37	-1.0	-47.99	291.98	0.30	-47.69
CC=CC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005050080	0	37	-1.0	-47.79	300.44	3.33	-44.46
COCC(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050081	0	37	-1.0	-48.04	300.69	2.15	-45.89
CCCC(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050082	0	39	-1.0	-45.71	309.48	3.54	-42.17
CC(C)C(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050083	0	39	-1.0	-45.44	306.14	3.23	-42.21
CCC(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050084	0	36	-1.0	-49.19	287.85	2.79	-46.40
CC(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050085	0	33	-1.0	-48.91	266.00	1.92	-46.99
O=C(C1=CC(=O)[N-]O1)N1C2CCC1CN(C(=O)C1CC1)C2	REAL250005050086	0	37	-1.0	-45.45	297.32	3.52	-41.93
NC(=O)C(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050087	0	34	-1.0	-46.14	280.13	-2.10	-48.24
O=C(CO)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050088	0	34	-1.0	-49.89	278.41	-0.13	-50.02
CC(O)C(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050089	0	37	-1.0	-48.18	294.86	0.41	-47.77
CC(=O)C(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050090	0	35	-1.0	-45.30	287.57	1.71	-43.59
CC=CC(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050091	0	37	-1.0	-48.32	300.15	3.35	-44.97
C[C@H](O)C(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050092	0	37	-1.0	-52.66	294.44	0.34	-52.32
C=CCC(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050093	0	37	-1.0	-45.73	300.72	3.32	-42.41
N#CCC(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050094	0	34	-1.0	-53.75	287.42	2.45	-51.30
O=C(CCF)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050095	0	36	-1.0	-45.29	294.16	2.93	-42.36
C[C@@H](O)C(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050096	0	37	-1.0	-52.27	291.80	0.25	-52.02
C=CC(=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050097	0	34	-1.0	-46.16	278.44	2.45	-43.71
CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050098	0	32	-1.0	-47.27	276.15	0.08	-47.19
COCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050099	0	36	-1.0	-46.41	309.96	-0.86	-47.27
O=C(N[C@H]1CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005050100	0	33	-1.0	-47.07	286.15	0.80	-46.27
O=C(N[C@H]1CCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005050101	0	36	-1.0	-46.68	301.25	1.30	-45.38
O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005050102	0	39	-1.0	-46.79	315.65	1.75	-45.04
O=C(CC1CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050103	0	36	-1.0	-47.11	306.05	1.59	-45.52
CC(C)(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050104	0	35	-1.0	-45.23	295.16	0.43	-44.80
CC(F)(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050105	0	32	-1.0	-43.86	284.68	0.07	-43.79
COCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050106	0	33	-1.0	-54.64	287.98	-0.52	-55.16
CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050107	0	35	-1.0	-46.78	296.57	0.82	-45.96
O=C(N[C@H]1CCN(C(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005050108	0	33	-1.0	-51.28	291.96	0.41	-50.87
CC(=O)NCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050109	0	36	-1.0	-48.25	313.79	-2.32	-50.57
CC(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050110	0	38	-1.0	-46.65	314.41	1.42	-45.23
CC1CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050111	0	36	-1.0	-46.96	307.38	1.48	-45.48
CCOCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050112	0	36	-1.0	-55.33	310.86	0.42	-54.91
CC(C)=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050113	0	36	-1.0	-50.80	304.19	1.32	-49.48
O=C(N[C@H]1CCN(C(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050114	0	37	-1.0	-50.24	308.53	0.50	-49.74
CSCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050115	0	33	-1.0	-53.64	298.32	0.52	-53.12
CSCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050116	0	36	-1.0	-45.96	321.02	1.31	-44.65
CC(C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050117	0	41	-1.0	-46.73	336.78	2.13	-44.60
O=C(N[C@H]1CCN(C(=O)C2=CC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005050118	0	34	-1.0	-54.65	293.34	0.24	-54.41
O=C(N[C@H]1CCN(C(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005050119	0	33	-1.0	-55.72	289.07	-0.01	-55.73
CCCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050120	0	41	-1.0	-46.77	339.60	2.37	-44.40
CC(C)(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050121	0	41	-1.0	-45.76	329.35	1.96	-43.80
CCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050122	0	38	-1.0	-46.85	318.10	1.60	-45.25
CC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050123	0	35	-1.0	-46.52	295.36	0.57	-45.95
CCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050124	0	38	-1.0	-45.85	313.71	1.20	-44.65
CCC(CC)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050125	0	41	-1.0	-46.38	332.66	1.83	-44.55
O=C(N[C@H]1CCN(C(=O)C2=NNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005050126	0	33	-1.0	-53.28	290.60	-0.99	-54.27
O=C(N[C@H]1CCN(C(=O)C2=CC=NN2)C1)C1=CC(=O)[N-]O1	REAL250005050126	1	33	-1.0	-51.25	288.12	-1.19	-52.44
CSC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050127	0	36	-1.0	-49.17	313.95	0.96	-48.21
CCOC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050128	0	39	-1.0	-49.82	325.85	0.90	-48.92
O=C(N[C@H]1CCN(C(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005050129	0	33	-1.0	-52.60	287.43	-1.63	-54.23
COCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050130	0	39	-1.0	-49.49	331.39	-0.09	-49.58
O=C(N[C@H]1CCN(C(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005050131	0	32	-1.0	-50.95	286.48	-0.18	-51.13
CCC=C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050132	0	39	-1.0	-47.07	316.66	1.56	-45.51
COC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050133	0	36	-1.0	-49.92	302.36	-0.11	-50.03
CC(C)OCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050134	0	39	-1.0	-50.12	331.00	1.17	-48.95
CCCOCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050135	0	39	-1.0	-55.14	332.36	1.22	-53.92
O=C(N[C@H]1CCN(C(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005050136	0	37	-1.0	-46.83	306.89	-0.82	-47.65
CCC(OC)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050137	0	39	-1.0	-48.78	325.66	0.78	-48.00
COC(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050138	0	39	-1.0	-48.62	329.00	0.67	-47.95
C=CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050139	0	36	-1.0	-46.71	309.41	1.39	-45.32
CCOCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050140	0	39	-1.0	-46.28	331.81	0.11	-46.17
COCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050141	0	39	-1.0	-45.50	327.94	-0.32	-45.82
C=CCOCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050142	0	37	-1.0	-55.66	323.77	0.99	-54.67
O=C(N[C@H]1CCN(C(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005050143	0	32	-1.0	-51.20	286.62	-2.29	-53.49
CCCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050144	0	41	-1.0	-45.27	333.87	1.97	-43.30
O=C(CCC1CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050145	0	39	-1.0	-46.85	328.20	2.39	-44.46
O=C(N[C@H]1CCN(C(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005050146	0	37	-1.0	-47.28	307.34	1.71	-45.57
O=C(CC1CCC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050147	0	39	-1.0	-46.94	322.93	2.13	-44.81
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005050148	0	39	-1.0	-47.07	319.49	1.84	-45.23
CC=C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050149	0	36	-1.0	-51.04	308.27	1.19	-49.85
CC1CC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005050150	0	39	-1.0	-46.72	322.29	1.94	-44.78
O=C(C=C1CCC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050151	0	37	-1.0	-51.55	314.56	2.03	-49.52
CC(C)=C(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050152	0	36	-1.0	-50.46	313.81	1.28	-49.18
O=C(N[C@H]1CCN(C(=O)C2=CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005050153	0	37	-1.0	-47.38	305.32	1.54	-45.84
CC1(C)CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050154	0	39	-1.0	-46.18	322.06	2.02	-44.16
CC1(C)C[C@@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050155	0	39	-1.0	-46.02	322.17	2.00	-44.02
O=C(N[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050156	0	37	-1.0	-50.24	308.55	0.49	-49.75
CCC(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050157	0	41	-1.0	-46.37	331.55	2.06	-44.31
C#CCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050158	0	37	-1.0	-49.67	324.99	2.14	-47.53
CC(C)(O)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050159	0	39	-1.0	-46.35	320.62	-0.50	-46.85
CC(C)[C@@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050160	0	39	-1.0	-47.07	318.57	-0.74	-47.81
CCC(C)=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050161	0	39	-1.0	-50.05	326.56	2.09	-47.96
CC(C)C#CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050162	0	37	-1.0	-51.47	325.13	2.10	-49.37
O=C(C#CC1CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050163	0	35	-1.0	-51.67	315.35	2.25	-49.42
C=C(C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050164	0	39	-1.0	-46.24	332.24	2.07	-44.17
CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050165	0	36	-1.0	-47.13	303.77	1.14	-45.99
O=C(N[C@H]1CCN(C(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050166	0	37	-1.0	-50.57	308.54	0.48	-50.09
O=C(N[C@H]1CCN(C(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005050167	0	32	-1.0	-48.75	285.19	-2.39	-51.14
CC1(CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050168	0	39	-1.0	-46.51	327.21	2.08	-44.43
O=C(N[C@H]1CCN(C(=O)C2=CN=CO2)C1)C1=CC(=O)[N-]O1	REAL250005050169	0	32	-1.0	-51.78	287.76	-2.95	-54.73
C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050170	0	39	-1.0	-46.20	313.24	1.15	-45.05
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050171	0	36	-1.0	-46.93	305.96	1.46	-45.47
CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005050172	0	39	-1.0	-46.63	315.53	1.44	-45.19
CCC(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050173	0	35	-1.0	-47.39	302.61	0.80	-46.59
O=C(CCCF)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050174	0	35	-1.0	-49.56	304.30	0.98	-48.58
C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050175	0	36	-1.0	-46.68	306.96	1.46	-45.22
CC(C)C(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050176	0	38	-1.0	-47.60	321.90	1.26	-46.34
C=CCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050177	0	39	-1.0	-47.27	332.02	2.19	-45.08
CCC(C)(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050178	0	41	-1.0	-46.65	318.24	1.18	-45.47
NC(=O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050179	0	30	-1.0	-46.88	267.86	-4.61	-51.49
CC1CC1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050180	0	39	-1.0	-47.16	326.43	2.25	-44.91
CCC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050181	0	39	-1.0	-46.82	326.01	1.87	-44.95
O=C(N[C@H]1CCN(C(=O)C2(CF)CC2)C1)C1=CC(=O)[N-]O1	REAL250005050182	0	36	-1.0	-45.86	309.60	1.25	-44.61
CC(C)(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050183	0	38	-1.0	-46.60	304.43	0.72	-45.88
CC(C)C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050184	0	41	-1.0	-46.07	324.30	1.59	-44.48
CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050185	0	39	-1.0	-46.93	328.92	2.25	-44.68
O=C(N[C@H]1CCN(C(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005050186	0	37	-1.0	-47.26	318.59	2.26	-45.00
O=C(N[C@H]1CCN(C(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005050187	0	34	-1.0	-54.29	301.07	-3.27	-57.56
O=C(N[C@H]1CCN(C(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005050188	0	34	-1.0	-54.32	299.28	-3.34	-57.66
COC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050189	0	37	-1.0	-45.59	318.52	-0.34	-45.93
O=C(N[C@H]1CCN(C(=O)C2CSC2)C1)C1=CC(=O)[N-]O1	REAL250005050190	0	34	-1.0	-46.52	301.32	0.94	-45.58
C=CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050191	0	33	-1.0	-47.27	289.07	0.62	-46.65
C[NH+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050192	0	38	0.0	-70.93	311.77	0.76	-70.17
CN(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050192	1	37	-1.0	-47.23	308.60	-1.65	-48.88
C=CC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050193	0	34	-1.0	-47.39	292.24	-1.54	-48.93
O=C(N[C@H]1CCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005050194	0	34	-1.0	-49.97	293.38	-1.44	-51.41
CO[C@H](C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050195	0	36	-1.0	-49.83	303.99	-0.06	-49.89
CC=CC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050196	0	37	-1.0	-47.11	317.15	-0.87	-47.98
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050197	0	41	0.0	-68.97	326.75	1.04	-67.93
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050197	1	40	-1.0	-47.32	319.36	-1.42	-48.74
CCC=C(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050198	0	36	-1.0	-47.18	311.77	1.32	-45.86
CCC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050199	0	36	-1.0	-51.29	310.07	1.39	-49.90
CC(C)(CO)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050201	0	39	-1.0	-46.28	313.41	-2.48	-48.76
O=C(N[C@H]1CCN(C(=O)C2(F)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005050202	0	36	-1.0	-44.75	305.12	1.28	-43.47
O=C(CO)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050203	0	30	-1.0	-57.13	266.79	-2.83	-59.96
NC(=O)C=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050204	0	34	-1.0	-51.79	304.27	-3.31	-55.10
CC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050205	0	33	-1.0	-47.90	282.33	-2.26	-50.16
O=C(N[C@H]1CCN(C(=O)C2(O)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005050206	0	37	-1.0	-45.53	308.84	-1.87	-47.40
O=C(N[C@H]1CCN(C(=O)C(O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005050207	0	37	-1.0	-46.86	309.77	-0.50	-47.36
C=CCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050208	0	39	-1.0	-45.64	326.55	1.75	-43.89
O=C(N[C@H]1CCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005050209	0	33	-1.0	-45.40	292.81	0.90	-44.50
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050210	0	41	0.0	-68.97	326.75	1.04	-67.93
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050210	1	40	-1.0	-47.32	319.36	-1.42	-48.74
O=C(CCF)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050211	0	32	-1.0	-45.95	282.88	0.21	-45.74
O=C(N[C@H]1CCN(C(=O)C2(O)COC2)C1)C1=CC(=O)[N-]O1	REAL250005050212	0	35	-1.0	-45.84	299.95	-4.04	-49.88
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005050213	0	37	-1.0	-46.83	323.12	2.14	-44.69
CCC1CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050214	0	39	-1.0	-46.29	321.95	2.21	-44.08
O=C(CC1(O)CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050215	0	37	-1.0	-50.91	318.06	-1.92	-52.83
O=C(C=CCF)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050216	0	33	-1.0	-53.37	295.16	0.75	-52.62
C#CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050217	0	34	-1.0	-46.78	303.57	1.34	-45.44
O=C(CN1CCC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050218	0	38	-1.0	-48.38	316.46	-2.05	-50.43
O=C(C[NH+]1CCC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050218	1	39	0.0	-70.87	320.86	1.22	-69.65
C#C[C@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050219	0	35	-1.0	-49.59	309.14	1.96	-47.63
O=C(N[C@H]1CCN(C(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005050220	0	37	-1.0	-46.69	312.94	2.16	-44.53
C=C1CCC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050221	0	37	-1.0	-46.02	314.29	1.78	-44.24
C[C@H]1C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005050222	0	39	-1.0	-46.79	322.47	1.99	-44.80
C[C@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050223	0	41	0.0	-68.90	326.81	1.03	-67.87
C[C@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050223	1	40	-1.0	-47.53	324.57	-1.29	-48.82
CC=CC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050224	0	37	-1.0	-51.41	324.13	2.07	-49.34
COCC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050225	0	37	-1.0	-53.46	322.34	-0.33	-53.79
CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005050226	0	37	-1.0	-46.67	307.62	-1.19	-47.86
O=C(N[C@H]1CCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005050227	0	34	-1.0	-51.28	292.03	-0.42	-51.70
[N-]=[N+]=NCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050228	0	34	-1.0	-45.90	306.42	-3.32	-49.22
C#CCOCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050229	0	35	-1.0	-58.25	316.65	0.95	-57.30
CC(C)(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050230	0	36	-1.0	-45.35	300.86	-2.40	-47.75
CC1=CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050231	0	34	-1.0	-47.56	299.46	1.49	-46.07
CN(C)C(=O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050232	0	36	-1.0	-46.55	305.09	-1.12	-47.67
CSC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050233	0	34	-1.0	-50.34	310.92	0.94	-49.40
CCC(C)(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050234	0	39	-1.0	-44.59	316.77	-1.80	-46.39
CC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050235	0	41	0.0	-70.31	328.32	1.40	-68.91
CC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050235	1	41	0.0	-70.15	328.40	1.40	-68.75
CCN(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050235	1	40	-1.0	-47.33	326.48	-0.87	-48.20
C=C1CC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005050236	0	37	-1.0	-46.33	314.85	1.81	-44.52
O=C(N[C@H]1CCN(C(=O)C2CCC2F)C1)C1=CC(=O)[N-]O1	REAL250005050237	0	36	-1.0	-47.47	309.57	1.42	-46.05
O=C(N[C@H]1CCN(C(=O)C2=CNC=N2)C1)C1=CC(=O)[N-]O1	REAL250005050238	0	33	-1.0	-53.65	290.49	0.36	-53.29
O=C(N[C@H]1CCN(C(=O)C2=CN=CN2)C1)C1=CC(=O)[N-]O1	REAL250005050238	1	33	-1.0	-54.92	288.06	-0.00	-54.92
O=C(N[C@H]1CCN(C(=O)C2(Cl)CC2)C1)C1=CC(=O)[N-]O1	REAL250005050239	0	33	-1.0	-43.69	296.21	1.03	-42.66
O=C(N[C@H]1CCN(C(=O)C2=CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050240	0	35	-1.0	-49.42	300.99	0.07	-49.35
CCC[C@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050241	0	39	-1.0	-47.14	323.41	-0.72	-47.86
CC(C)[C@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050242	0	39	-1.0	-47.02	317.54	-0.79	-47.81
CCOC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050243	0	37	-1.0	-50.05	320.86	0.27	-49.78
C[C@@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050244	0	33	-1.0	-46.75	281.83	-2.25	-49.00
O=C(CCCCF)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050245	0	38	-1.0	-47.33	324.69	1.73	-45.60
O=C(C=CCO)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050246	0	34	-1.0	-54.89	300.08	-2.73	-57.62
COC(C)(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050247	0	39	-1.0	-50.12	309.99	0.02	-50.10
O=C(CCCCO)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050248	0	39	-1.0	-48.11	329.53	-1.75	-49.86
O=C(N[C@H]1CCN(C(=O)C2(CO)CC2)C1)C1=CC(=O)[N-]O1	REAL250005050249	0	37	-1.0	-50.98	316.51	-2.16	-53.14
COC(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050250	0	33	-1.0	-54.70	293.55	-1.18	-55.88
O=C(N[C@H]1CCN(C(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005050251	0	37	-1.0	-47.21	310.93	1.89	-45.32
C=C[C@H](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050252	0	39	-1.0	-46.42	326.01	1.93	-44.49
O=C(C=CC1CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050253	0	37	-1.0	-51.20	320.96	2.22	-48.98
CC=C(CC)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050254	0	39	-1.0	-46.61	329.49	1.90	-44.71
C=CC(C)(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050255	0	37	-1.0	-45.64	311.06	-1.64	-47.28
O=C(N[C@H]1CCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005050256	0	34	-1.0	-47.96	290.95	1.12	-46.84
CON=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050257	0	33	-1.0	-52.95	297.88	-1.42	-54.37
O=C(N[C@H]1CCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005050258	0	33	-1.0	-44.76	288.55	0.74	-44.02
O=C(COCCO)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050259	0	37	-1.0	-58.78	322.24	-2.72	-61.50
CC(C)(CF)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050260	0	38	-1.0	-45.20	308.97	0.79	-44.41
O=C(N[C@H]1CCN(C(=O)C2=NOCC2)C1)C1=CC(=O)[N-]O1	REAL250005050261	0	34	-1.0	-47.72	297.31	-0.99	-48.71
COCC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050262	0	37	-1.0	-47.89	314.77	-3.02	-50.91
C#CC(C)(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050263	0	37	-1.0	-49.04	310.25	1.13	-47.91
O=C(COC1CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050264	0	37	-1.0	-50.88	320.06	1.20	-49.68
O=C(N[C@H]1CCN(C(=O)C2=NC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005050265	0	33	-1.0	-50.50	291.51	-0.58	-51.08
CCCC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050266	0	39	-1.0	-51.08	331.57	2.17	-48.91
CC=C(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050267	0	33	-1.0	-47.22	290.71	0.63	-46.59
CCC(CO)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050268	0	39	-1.0	-50.41	320.00	-2.07	-52.48
CC(CO)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050269	0	36	-1.0	-46.32	305.30	-2.78	-49.10
O=C(N[C@H]1CCN(C(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005050270	0	32	-1.0	-50.89	283.81	-0.57	-51.46
O=C(N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CF)C1)C1=CC(=O)[N-]O1	REAL250005050271	0	36	-1.0	-49.50	314.11	1.61	-47.89
C#CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050272	0	35	-1.0	-46.17	306.48	1.51	-44.66
O=C(N[C@H]1CCN(C(=O)C2=COCC2)C1)C1=CC(=O)[N-]O1	REAL250005050273	0	35	-1.0	-47.48	295.15	-0.51	-47.99
C[C@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050274	0	33	-1.0	-47.74	281.34	-2.31	-50.05
O=C(N[C@H]1CCN(C(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005050275	0	37	-1.0	-46.20	306.17	1.63	-44.57
CC(O)C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050276	0	39	-1.0	-50.37	324.37	-2.11	-52.48
C=C1CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050277	0	34	-1.0	-46.63	299.08	1.37	-45.26
CC(CF)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050278	0	35	-1.0	-45.05	301.08	0.67	-44.38
C=C(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050279	0	36	-1.0	-47.04	310.42	1.26	-45.78
CCSCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050280	0	36	-1.0	-54.07	320.81	1.40	-52.67
CC(C)=C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050281	0	39	-1.0	-47.05	324.42	1.89	-45.16
CCCC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050282	0	39	-1.0	-47.15	323.41	-0.72	-47.87
CCC(O)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050283	0	39	-1.0	-50.50	328.33	-0.77	-51.27
CC(Cl)=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050284	0	33	-1.0	-52.74	301.26	1.15	-51.59
CC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050285	0	33	-1.0	-51.54	288.98	0.64	-50.90
CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005050286	0	36	-1.0	-44.89	305.41	1.13	-43.76
O=C(N[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005050287	0	37	-1.0	-50.67	314.23	-2.07	-52.74
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050288	0	36	-1.0	-46.93	305.96	1.46	-45.47
CNC(=O)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050289	0	36	-1.0	-58.53	311.19	-0.89	-59.42
C=CC=CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050290	0	37	-1.0	-47.59	323.27	2.01	-45.58
NC(=O)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050291	0	36	-1.0	-48.72	312.79	-3.11	-51.83
CC(O)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050292	0	39	-1.0	-47.96	328.44	-1.68	-49.64
C#CCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050293	0	37	-1.0	-46.20	320.29	1.72	-44.48
CC(CCO)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050294	0	39	-1.0	-50.54	319.73	-2.32	-52.86
O=C(N[C@H]1CCN(C(=O)[C@H](O)CF)C1)C1=CC(=O)[N-]O1	REAL250005050295	0	33	-1.0	-47.16	288.06	-2.13	-49.29
O=C(N[C@H]1CCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005050296	0	34	-1.0	-45.49	297.17	-2.69	-48.18
O=C(CC1CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050297	0	36	-1.0	-49.63	303.33	1.47	-48.16
CC(C)(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050298	0	35	-1.0	-48.59	299.06	0.60	-47.99
CC(F)(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050299	0	32	-1.0	-46.78	285.17	0.10	-46.68
COCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050300	0	33	-1.0	-52.26	285.03	-0.71	-52.97
CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050301	0	35	-1.0	-51.18	294.88	0.65	-50.53
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CO1	REAL250005050302	0	33	-1.0	-50.83	293.01	0.20	-50.63
CC(=O)NCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050303	0	36	-1.0	-51.00	310.69	-2.38	-53.38
CC(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050304	0	38	-1.0	-50.73	311.61	1.25	-49.48
CC1CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050305	0	36	-1.0	-50.88	305.28	1.33	-49.55
CCOCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050306	0	36	-1.0	-52.32	306.89	0.25	-52.07
CC(C)=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050307	0	36	-1.0	-48.44	301.61	1.24	-47.20
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCO1	REAL250005050308	0	37	-1.0	-54.43	309.42	0.50	-53.93
CSCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050309	0	33	-1.0	-51.51	295.38	0.36	-51.15
CSCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050310	0	36	-1.0	-50.06	317.98	1.15	-48.91
CC(C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050311	0	41	-1.0	-50.90	333.81	1.97	-48.93
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005050312	0	34	-1.0	-51.88	294.94	0.02	-51.86
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=C1	REAL250005050313	0	33	-1.0	-52.39	291.08	0.22	-52.17
CCCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050314	0	41	-1.0	-51.24	337.94	2.21	-49.03
CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050315	0	41	-1.0	-47.93	325.51	1.81	-46.12
CCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050316	0	38	-1.0	-51.28	316.39	1.43	-49.85
CC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050317	0	35	-1.0	-50.81	292.93	0.56	-50.25
CCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050318	0	38	-1.0	-50.83	311.06	1.20	-49.63
CCC(CC)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050319	0	41	-1.0	-50.57	327.36	1.68	-48.89
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005050320	0	33	-1.0	-50.05	289.59	-1.29	-51.34
CSC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050321	0	36	-1.0	-53.81	315.00	0.87	-52.94
CCOC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050322	0	39	-1.0	-51.89	326.68	0.95	-50.94
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNN=C1	REAL250005050323	0	33	-1.0	-51.05	289.82	-1.32	-52.37
COCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050324	0	39	-1.0	-54.16	328.62	-0.28	-54.44
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOC=C1	REAL250005050325	0	32	-1.0	-50.67	287.34	-0.53	-51.20
CCC=C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050326	0	39	-1.0	-50.92	322.09	1.97	-48.95
COC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050327	0	36	-1.0	-54.32	305.89	-0.05	-54.37
CC(C)OCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050328	0	39	-1.0	-52.13	327.15	0.98	-51.15
CCCOCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050329	0	39	-1.0	-54.37	329.39	1.03	-53.34
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCOC1	REAL250005050330	0	37	-1.0	-49.39	306.23	-0.80	-50.19
CCC(OC)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050331	0	39	-1.0	-53.24	326.92	0.83	-52.41
COC(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050332	0	39	-1.0	-50.82	325.13	0.51	-50.31
C=CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050333	0	36	-1.0	-50.73	307.56	1.24	-49.49
CCOCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050334	0	39	-1.0	-50.44	328.77	-0.05	-50.49
COCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050335	0	39	-1.0	-48.52	324.71	-0.28	-48.80
C=CCOCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050336	0	37	-1.0	-54.90	320.79	0.81	-54.09
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=N1	REAL250005050337	0	32	-1.0	-50.16	286.84	-3.18	-53.34
CC(C#N)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050338	0	33	-1.0	-59.26	292.36	0.17	-59.09
CCCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050339	0	41	-1.0	-49.13	331.56	2.00	-47.13
O=C(CCC1CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050340	0	39	-1.0	-51.41	326.50	2.23	-49.18
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC=CC1	REAL250005050341	0	37	-1.0	-50.86	308.97	1.65	-49.21
O=C(CC1CCC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050342	0	39	-1.0	-51.49	321.29	1.95	-49.54
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005050343	0	39	-1.0	-51.15	322.15	2.01	-49.14
CC=C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050344	0	36	-1.0	-51.09	301.70	1.19	-49.90
CC1CC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005050345	0	39	-1.0	-49.20	320.15	1.85	-47.35
O=C(C=C1CCC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050346	0	37	-1.0	-50.97	312.48	1.90	-49.07
CC(C)=C(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050347	0	36	-1.0	-46.16	306.19	1.29	-44.87
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005050348	0	37	-1.0	-48.74	308.90	1.81	-46.93
CC1(C)CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050349	0	39	-1.0	-48.24	319.42	1.93	-46.31
CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050350	0	39	-1.0	-48.44	319.51	1.92	-46.52
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCCO1	REAL250005050351	0	37	-1.0	-52.64	308.43	0.48	-52.16
CCC(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050352	0	41	-1.0	-48.66	328.77	1.95	-46.71
C#CCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050353	0	37	-1.0	-54.26	322.23	1.95	-52.31
CC(C)(O)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050354	0	39	-1.0	-48.83	316.85	-0.65	-49.48
CC(C)[C@@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050355	0	39	-1.0	-49.74	319.33	-1.62	-51.36
CCC(C)=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050356	0	39	-1.0	-49.63	324.31	1.99	-47.64
CC(C)C#CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050357	0	37	-1.0	-49.08	321.69	1.96	-47.12
O=C(C#CC1CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050358	0	35	-1.0	-49.49	311.38	2.13	-47.36
CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050359	0	32	-1.0	-49.34	272.38	-0.06	-49.40
COCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050360	0	36	-1.0	-50.54	306.92	-1.01	-51.55
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005050361	0	33	-1.0	-48.94	282.83	0.70	-48.24
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005050362	0	36	-1.0	-51.03	300.08	1.16	-49.87
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC1	REAL250005050363	0	39	-1.0	-49.01	315.43	1.81	-47.20
C=CCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050364	0	39	-1.0	-51.67	329.26	1.99	-49.68
CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050365	0	41	-1.0	-48.83	325.01	1.67	-47.16
NC(=O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050366	0	30	-1.0	-47.80	267.70	-4.72	-52.52
CC1CC1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050367	0	39	-1.0	-49.18	322.59	2.11	-47.07
CCC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050368	0	39	-1.0	-50.85	326.57	1.84	-49.01
CC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050369	0	38	-1.0	-50.43	311.68	1.14	-49.29
C=C(C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050370	0	39	-1.0	-50.36	329.20	1.91	-48.45
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005050371	0	36	-1.0	-50.07	306.25	1.38	-48.69
CC(C)C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050372	0	41	-1.0	-50.32	326.96	1.75	-48.57
CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050373	0	39	-1.0	-50.93	326.69	2.10	-48.83
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC12CC2	REAL250005050374	0	37	-1.0	-51.37	316.35	2.12	-49.25
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CCCO1	REAL250005050375	0	37	-1.0	-55.31	309.73	0.48	-54.83
CC1(CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050376	0	39	-1.0	-49.13	322.62	1.97	-47.16
CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050377	0	36	-1.0	-48.65	300.59	1.30	-47.35
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC=C1	REAL250005050378	0	34	-1.0	-51.13	295.18	0.12	-51.01
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005050379	0	32	-1.0	-51.42	287.65	-3.07	-54.49
C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050380	0	39	-1.0	-50.97	320.58	1.52	-49.45
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050381	0	36	-1.0	-48.84	304.20	1.39	-47.45
CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005050382	0	39	-1.0	-48.85	316.27	1.73	-47.12
CCC(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050383	0	35	-1.0	-51.83	301.02	0.72	-51.11
O=C(CCCF)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050384	0	35	-1.0	-54.31	301.54	0.79	-53.52
C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050385	0	36	-1.0	-50.59	305.13	1.36	-49.23
CC(C)C(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050386	0	38	-1.0	-52.41	320.37	1.20	-51.21
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNN=C1	REAL250005050387	0	32	-1.0	-49.42	286.30	-2.78	-52.20
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005050387	1	32	-1.0	-51.00	284.40	-2.67	-53.67
O=C(CO)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050388	0	30	-1.0	-54.02	262.83	-3.00	-57.02
NC(=O)C=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050389	0	34	-1.0	-52.56	303.21	-3.45	-56.01
COC(=O)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050390	0	35	-1.0	-59.66	305.26	0.86	-58.80
CSC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050391	0	34	-1.0	-48.51	307.92	0.86	-47.65
NC(=O)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050392	0	36	-1.0	-52.29	310.93	-3.25	-55.54
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005050393	0	34	-1.0	-53.42	290.77	-0.44	-53.86
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005050394	0	33	-1.0	-46.08	298.30	1.24	-44.84
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005050395	0	35	-1.0	-49.25	301.50	-0.22	-49.47
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005050396	0	34	-1.0	-49.98	289.72	-1.57	-51.55
O=C(C=CCO)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050397	0	34	-1.0	-54.49	298.09	-2.86	-57.35
CC=CC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050398	0	37	-1.0	-51.06	319.10	-0.85	-51.91
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050399	0	41	0.0	-73.37	327.08	1.00	-72.37
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050399	1	40	-1.0	-51.46	319.35	-1.35	-52.81
CCC=C(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050400	0	36	-1.0	-47.43	312.26	1.31	-46.12
CCC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050401	0	36	-1.0	-50.87	308.07	1.26	-49.61
[N-]=[N+]=NCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050402	0	34	-1.0	-50.10	303.38	-3.47	-53.57
C#CCOCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050403	0	35	-1.0	-55.10	312.68	0.78	-54.32
CC(O)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050404	0	39	-1.0	-50.75	326.55	-1.83	-52.58
C#CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050405	0	34	-1.0	-51.17	300.67	1.17	-50.00
CC=CC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050406	0	37	-1.0	-49.05	321.03	1.99	-47.06
COCC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050407	0	37	-1.0	-52.90	320.18	-0.43	-53.33
CCC(C)(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050408	0	39	-1.0	-49.07	320.69	-2.00	-51.07
C#CCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050409	0	37	-1.0	-50.67	318.54	1.74	-48.93
C=CC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050410	0	34	-1.0	-51.24	297.39	-1.71	-52.95
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC1CC2	REAL250005050411	0	37	-1.0	-48.97	311.28	1.90	-47.07
C=C[C@H](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050412	0	39	-1.0	-48.41	323.31	1.82	-46.59
O=C(C=CC1CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050413	0	37	-1.0	-49.09	317.94	2.12	-46.97
CCC(C#N)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050414	0	36	-1.0	-52.33	311.99	0.84	-51.49
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C2CCC21	REAL250005050415	0	37	-1.0	-51.12	306.60	1.98	-49.14
C=C1CCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050416	0	37	-1.0	-48.70	312.56	1.72	-46.98
C[C@H]1C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005050417	0	39	-1.0	-47.95	313.04	1.88	-46.07
CC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050418	0	41	0.0	-72.57	325.63	1.31	-71.26
CC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050418	1	41	0.0	-72.66	325.63	1.31	-71.35
CCN(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050418	1	40	-1.0	-51.71	324.86	-1.00	-52.71
CC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050419	0	33	-1.0	-51.76	284.19	-2.25	-54.01
CC(=O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050420	0	31	-1.0	-47.44	276.13	-0.96	-48.40
N#CCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050421	0	36	-1.0	-60.36	315.80	1.17	-59.19
N#CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050422	0	34	-1.0	-47.83	302.10	0.95	-46.88
C=C1CC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005050423	0	37	-1.0	-50.48	313.59	1.70	-48.78
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005050424	0	33	-1.0	-46.33	289.03	0.74	-45.59
COC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050425	0	39	-1.0	-52.51	316.84	0.47	-52.04
CC(CC#N)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050426	0	36	-1.0	-52.12	312.11	0.93	-51.19
CCC1CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050427	0	39	-1.0	-50.34	321.22	2.10	-48.24
C=CC(C)(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050428	0	37	-1.0	-47.41	312.97	-1.90	-49.31
CCCC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050429	0	39	-1.0	-50.73	329.57	2.04	-48.69
CC=C(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050430	0	33	-1.0	-47.68	291.92	0.57	-47.11
C[C@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050431	0	41	0.0	-70.35	326.05	1.08	-69.27
C[C@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050431	1	40	-1.0	-51.39	318.58	-1.45	-52.84
CCOC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050432	0	37	-1.0	-49.88	319.89	0.14	-49.74
CC(=O)OCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050433	0	35	-1.0	-52.33	308.43	0.88	-51.45
CC(=O)C=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050434	0	35	-1.0	-51.09	310.20	0.41	-50.68
O=C(COC1CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050435	0	37	-1.0	-53.15	317.25	1.04	-52.11
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005050436	0	33	-1.0	-50.71	291.86	-1.06	-51.77
CC(CO)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050437	0	36	-1.0	-50.67	303.52	-2.73	-53.40
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CON=C1	REAL250005050438	0	32	-1.0	-52.93	285.91	-0.31	-53.24
O=C(CCCCO)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050439	0	39	-1.0	-52.42	327.87	-1.91	-54.33
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC1	REAL250005050440	0	35	-1.0	-46.60	305.69	0.68	-45.92
O=C(CC1(O)CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050441	0	37	-1.0	-55.23	315.20	-2.07	-57.30
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005050442	0	36	-1.0	-49.18	306.76	1.25	-47.93
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005050443	0	36	-1.0	-52.62	311.93	1.47	-51.15
CCC(CO)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050444	0	39	-1.0	-49.85	319.28	-1.66	-51.51
N#C[C@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050445	0	34	-1.0	-62.65	300.73	0.99	-61.66
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005050446	0	35	-1.0	-49.34	299.00	-0.21	-49.55
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005050447	0	34	-1.0	-49.05	291.19	-2.36	-51.41
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005050448	0	34	-1.0	-49.47	292.77	1.22	-48.25
CC(CF)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050449	0	35	-1.0	-47.88	297.86	0.74	-47.14
CC(Cl)=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050450	0	33	-1.0	-52.66	298.93	1.00	-51.66
CC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050451	0	33	-1.0	-51.09	286.95	0.49	-50.60
CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005050452	0	36	-1.0	-52.98	305.40	1.41	-51.57
O=C(C=CCF)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050453	0	33	-1.0	-52.91	293.00	0.65	-52.26
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005050454	0	37	-1.0	-54.79	316.34	-2.12	-56.91
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005050455	0	32	-1.0	-48.97	287.35	-0.36	-49.33
C[C@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050457	0	33	-1.0	-49.55	283.10	-2.21	-51.76
CON=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050458	0	33	-1.0	-53.95	295.85	-1.53	-55.48
CC(C)[C@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050459	0	39	-1.0	-51.07	320.47	-0.73	-51.80
C#CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050460	0	35	-1.0	-47.89	308.55	1.79	-46.10
C=CC=CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050461	0	37	-1.0	-49.80	320.47	1.90	-47.90
C#C[C@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050462	0	35	-1.0	-54.24	306.77	1.82	-52.42
CC=C(CC)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050463	0	39	-1.0	-50.52	322.67	1.91	-48.61
COC(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050464	0	33	-1.0	-52.06	290.92	-1.23	-53.29
COCC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050465	0	37	-1.0	-49.98	316.54	-2.90	-52.88
N#C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050466	0	34	-1.0	-52.42	304.76	1.11	-51.31
O=C(C1=CC(=O)[N-]O1)N1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005050467	0	37	-1.0	-52.90	310.43	-2.20	-55.10
O=C(COCCO)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050468	0	37	-1.0	-58.03	319.26	-2.90	-60.93
CC(C)(CF)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050469	0	38	-1.0	-47.80	315.82	1.25	-46.55
CC(C)(CO)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050470	0	39	-1.0	-48.83	320.17	-2.04	-50.87
C=CCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050471	0	39	-1.0	-48.46	324.50	1.84	-46.62
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050472	0	36	-1.0	-48.84	304.20	1.39	-47.45
CC(C)(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050473	0	36	-1.0	-48.89	303.87	-2.68	-51.57
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005050474	0	34	-1.0	-47.80	296.34	-1.19	-48.99
CC(C#N)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050475	0	36	-1.0	-50.48	309.86	0.96	-49.52
CC(CCO)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050476	0	39	-1.0	-52.83	321.49	-2.12	-54.95
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005050477	0	33	-1.0	-53.01	290.35	-2.06	-55.07
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005050478	0	37	-1.0	-49.44	305.67	-1.84	-51.28
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005050479	0	37	-1.0	-48.92	311.52	-0.40	-49.32
C=C(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050480	0	36	-1.0	-51.26	307.91	1.08	-50.18
CC(C)(C#N)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050481	0	36	-1.0	-58.40	311.21	0.69	-57.71
CCSCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050482	0	36	-1.0	-51.38	316.84	1.25	-50.13
CC(C)=C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050483	0	39	-1.0	-48.51	316.74	1.94	-46.57
CNC(=O)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050484	0	36	-1.0	-60.79	308.40	-1.04	-61.83
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005050485	0	36	-1.0	-54.08	306.69	1.30	-52.78
C=CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050486	0	33	-1.0	-49.46	285.30	0.47	-48.99
C[NH+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050487	0	38	0.0	-75.03	308.97	0.61	-74.42
CN(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050487	1	37	-1.0	-51.62	306.89	-1.78	-53.40
N#CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050488	0	30	-1.0	-58.74	271.82	-0.40	-59.14
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005050489	0	33	-1.0	-55.71	288.61	0.76	-54.95
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050490	0	41	0.0	-73.37	327.08	1.00	-72.37
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050490	1	40	-1.0	-51.46	319.35	-1.35	-52.81
O=C(CCF)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050491	0	32	-1.0	-48.57	278.88	0.07	-48.50
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C=CCC1	REAL250005050492	0	37	-1.0	-50.53	309.03	1.67	-48.86
C#CC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050493	0	37	-1.0	-53.62	317.64	1.56	-52.06
CO[C@H](C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050494	0	36	-1.0	-51.90	304.83	-0.01	-51.91
CC(=O)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050495	0	37	-1.0	-50.79	317.95	0.59	-50.20
C[C@@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050496	0	33	-1.0	-53.27	283.44	-2.22	-55.49
O=C(CN1CCC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050497	0	38	-1.0	-50.60	313.75	-2.15	-52.75
O=C(C[NH+]1CCC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050497	1	39	0.0	-72.86	317.99	1.08	-71.78
CC(O)C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050498	0	39	-1.0	-54.31	320.43	-1.04	-55.35
C=C1CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050499	0	34	-1.0	-50.89	297.47	1.23	-49.66
COC(OC)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050500	0	37	-1.0	-52.76	311.51	-1.07	-53.83
CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005050501	0	37	-1.0	-49.23	308.00	-0.96	-50.19
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005050502	0	34	-1.0	-59.51	297.71	-3.74	-63.25
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC(=O)N1	REAL250005050503	0	34	-1.0	-57.44	297.33	-3.38	-60.82
CCC[C@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050504	0	39	-1.0	-51.04	326.10	-0.62	-51.66
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005050505	0	36	-1.0	-47.75	306.49	1.23	-46.52
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005050506	0	33	-1.0	-53.31	289.75	-0.23	-53.54
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)C1	REAL250005050507	0	35	-1.0	-53.20	302.77	0.27	-52.93
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005050508	0	35	-1.0	-51.61	298.97	-4.13	-55.74
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005050509	0	37	-1.0	-49.71	315.16	2.17	-47.54
CC1=CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050510	0	34	-1.0	-49.54	297.88	1.40	-48.14
CN(C)C(=O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050511	0	36	-1.0	-47.48	305.40	-1.23	-48.71
CCCC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050512	0	39	-1.0	-51.64	326.17	-0.64	-52.28
CCC(O)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050513	0	39	-1.0	-52.45	324.48	-0.93	-53.38
O=C(CCCCF)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050514	0	38	-1.0	-51.63	323.04	1.57	-50.06
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CC(=O)N1	REAL250005050515	0	34	-1.0	-59.78	297.85	-3.76	-63.54
COC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050516	0	37	-1.0	-53.28	312.83	0.24	-53.04
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005050517	0	34	-1.0	-49.32	298.92	0.85	-48.47
C=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050518	0	30	-1.0	-49.40	264.21	-0.33	-49.73
O=C(N[C@H]1CCN(C(=O)C2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005050519	0	34	-1.0	-54.53	300.54	-3.64	-58.17
O=C(N[C@H]1CCN(C(=O)C2CC(F)C2)C1)C1=CC(=O)[N-]O1	REAL250005050520	0	36	-1.0	-46.01	308.04	1.39	-44.62
O=C(N[C@H]1CCN(C(=O)C2=CC=NO2)C1)C1=CC(=O)[N-]O1	REAL250005050521	0	32	-1.0	-48.17	286.51	-0.34	-48.51
CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050522	0	32	-1.0	-47.44	279.11	-0.89	-48.33
COCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050523	0	36	-1.0	-47.37	312.79	-1.83	-49.20
O=C(N[C@H]1C[C@H](NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005050524	0	33	-1.0	-50.35	289.64	-0.12	-50.47
O=C(N[C@H]1C[C@H](NC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005050525	0	36	-1.0	-47.03	305.85	0.39	-46.64
O=C(N[C@H]1C[C@H](NC(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005050526	0	39	-1.0	-50.29	322.22	0.99	-49.30
O=C(CC1CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050527	0	36	-1.0	-50.77	310.05	0.64	-50.13
CC(C)(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050528	0	35	-1.0	-48.52	305.58	-0.22	-48.74
CC(F)(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050529	0	32	-1.0	-46.62	291.03	-0.71	-47.33
COCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050530	0	33	-1.0	-50.40	291.84	-1.53	-51.93
CCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050531	0	35	-1.0	-47.33	300.66	-0.12	-47.45
O=C(N[C@H]1C[C@H](NC(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005050532	0	33	-1.0	-48.49	298.79	-0.58	-49.07
CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050533	0	36	-1.0	-49.94	317.78	-3.20	-53.14
CC(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050534	0	38	-1.0	-46.80	317.35	0.46	-46.34
CC1CC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050535	0	36	-1.0	-49.67	305.62	0.61	-49.06
CCOCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050536	0	36	-1.0	-54.03	313.69	-0.58	-54.61
CC(C)=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050537	0	36	-1.0	-46.86	308.46	0.42	-46.44
O=C(N[C@H]1C[C@H](NC(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050538	0	37	-1.0	-54.84	315.53	-0.32	-55.16
CSCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050539	0	33	-1.0	-53.17	302.17	-0.46	-53.63
CSCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050540	0	36	-1.0	-49.50	323.92	0.35	-49.15
CC(C)CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050541	0	41	-1.0	-47.14	339.68	1.17	-45.97
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005050542	0	34	-1.0	-53.50	301.61	-0.80	-54.30
O=C(N[C@H]1C[C@H](NC(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005050543	0	33	-1.0	-54.45	297.89	-0.60	-55.05
CCCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050544	0	41	-1.0	-50.41	343.63	1.44	-48.97
CC(C)(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050545	0	41	-1.0	-49.08	332.31	0.99	-48.09
CCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050546	0	38	-1.0	-47.29	322.11	0.66	-46.63
CC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050547	0	35	-1.0	-47.08	298.67	-0.21	-47.29
CCC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050548	0	38	-1.0	-46.95	316.78	0.43	-46.52
CCC(CC)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050549	0	41	-1.0	-50.35	332.63	0.91	-49.44
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005050550	0	33	-1.0	-48.47	296.32	-2.11	-50.58
CSC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050551	0	36	-1.0	-52.94	320.73	0.11	-52.83
CCOC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050552	0	39	-1.0	-54.01	333.50	0.12	-53.89
O=C(N[C@H]1C[C@H](NC(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005050553	0	33	-1.0	-51.99	296.61	-2.15	-54.14
COCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050554	0	39	-1.0	-53.41	334.29	-1.05	-54.46
O=C(N[C@H]1C[C@H](NC(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005050555	0	32	-1.0	-50.42	293.24	-1.34	-51.76
CCC=C(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050556	0	39	-1.0	-50.56	327.83	1.19	-49.37
COC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050557	0	36	-1.0	-53.92	311.64	-0.82	-54.74
CC(C)OCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050558	0	39	-1.0	-53.95	333.98	0.15	-53.80
CCCOCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050559	0	39	-1.0	-50.15	335.19	0.23	-49.92
O=C(N[C@H]1C[C@H](NC(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005050560	0	37	-1.0	-47.74	313.07	-1.62	-49.36
CCC(OC)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050561	0	39	-1.0	-53.36	328.16	-0.12	-53.48
COC(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050562	0	39	-1.0	-48.25	331.92	-0.30	-48.55
C=CCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050563	0	36	-1.0	-47.10	313.43	0.44	-46.66
CCOCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050564	0	39	-1.0	-49.98	334.71	-0.85	-50.83
COCC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050565	0	39	-1.0	-49.62	331.52	-1.11	-50.73
C=CCOCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050566	0	37	-1.0	-50.64	326.62	0.00	-50.64
O=C(N[C@H]1C[C@H](NC(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005050567	0	32	-1.0	-50.55	293.57	-3.97	-54.52
CCCC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050568	0	41	-1.0	-46.94	338.29	1.19	-45.75
O=C(CCC1CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050569	0	39	-1.0	-47.25	332.22	1.44	-45.81
O=C(N[C@H]1C[C@H](NC(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005050570	0	37	-1.0	-50.19	314.69	0.89	-49.30
O=C(CC1CCC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050571	0	39	-1.0	-47.26	327.02	1.16	-46.10
CC(C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005050572	0	39	-1.0	-50.56	327.94	1.22	-49.34
CC=C(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050573	0	36	-1.0	-47.61	307.44	0.41	-47.20
CC1CC(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005050574	0	39	-1.0	-50.00	325.63	0.98	-49.02
O=C(C=C1CCC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050575	0	37	-1.0	-50.60	318.30	1.10	-49.50
CC(C)=C(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050576	0	36	-1.0	-48.72	317.40	0.20	-48.52
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005050577	0	37	-1.0	-47.45	315.76	0.99	-46.46
CC1(C)CC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050578	0	39	-1.0	-46.63	326.26	1.11	-45.52
CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050579	0	39	-1.0	-46.56	326.26	1.09	-45.47
O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050580	0	37	-1.0	-54.53	315.13	-0.34	-54.87
CCC(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050581	0	41	-1.0	-49.96	335.57	1.13	-48.83
C#CCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050582	0	37	-1.0	-53.47	327.96	1.18	-52.29
CC(C)(O)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050583	0	39	-1.0	-49.73	326.10	-1.81	-51.54
CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050584	0	39	-1.0	-50.54	326.32	-1.49	-52.03
CCC(C)=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050585	0	39	-1.0	-49.23	330.18	1.19	-48.04
CC(C)C#CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050586	0	37	-1.0	-48.15	328.50	1.15	-47.00
O=C(C#CC1CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050587	0	35	-1.0	-50.98	318.25	1.30	-49.68
C=C(C)CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050588	0	39	-1.0	-46.97	335.11	1.11	-45.86
CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050589	0	36	-1.0	-47.12	307.44	0.49	-46.63
O=C(N[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050590	0	37	-1.0	-50.79	315.13	-0.34	-51.13
O=C(N[C@H]1C[C@H](NC(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005050591	0	32	-1.0	-48.94	292.02	-3.55	-52.49
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005050591	1	32	-1.0	-49.09	291.13	-3.49	-52.58
CC1(CC(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050592	0	39	-1.0	-50.17	329.51	1.15	-49.02
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005050593	0	32	-1.0	-49.04	293.52	-3.87	-52.91
C=CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050594	0	39	-1.0	-50.69	326.37	0.74	-49.95
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050595	0	36	-1.0	-50.29	311.02	0.55	-49.74
CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005050596	0	39	-1.0	-50.35	323.03	0.90	-49.45
CCC(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050597	0	35	-1.0	-50.99	306.92	-0.09	-51.08
O=C(CCCF)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050598	0	35	-1.0	-49.72	307.20	0.02	-49.70
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050599	0	36	-1.0	-47.23	311.01	0.54	-46.69
CC(C)C(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050600	0	38	-1.0	-48.87	325.72	0.40	-48.47
C=CCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050601	0	39	-1.0	-47.66	334.94	1.22	-46.44
CCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050602	0	41	-1.0	-47.00	331.78	0.85	-46.15
NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050603	0	30	-1.0	-47.64	274.46	-5.55	-53.19
CC1CC1CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050604	0	39	-1.0	-47.45	331.44	1.32	-46.13
CCC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050605	0	39	-1.0	-50.38	331.95	1.09	-49.29
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005050606	0	36	-1.0	-49.66	312.15	0.58	-49.08
CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050607	0	38	-1.0	-50.22	317.55	0.35	-49.87
CC(C)C(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050608	0	41	-1.0	-49.62	332.71	0.99	-48.63
CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050609	0	39	-1.0	-47.18	332.41	1.32	-45.86
O=C(N[C@H]1C[C@H](NC(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005050610	0	37	-1.0	-47.49	322.08	1.35	-46.14
O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005050611	0	34	-1.0	-54.67	303.64	-4.55	-59.22
O=C(N[C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005050612	0	34	-1.0	-54.39	304.06	-4.21	-58.60
COC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050613	0	37	-1.0	-47.97	317.55	-0.84	-48.81
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005050614	0	34	-1.0	-50.37	305.73	0.03	-50.34
C=CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050615	0	33	-1.0	-47.66	292.03	-0.35	-48.01
C[NH+](C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050616	0	38	0.0	-72.77	314.70	-0.17	-72.94
CN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050616	1	37	-1.0	-50.99	312.69	-2.56	-53.55
C=CC(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050617	0	34	-1.0	-50.74	300.47	-2.31	-53.05
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005050618	0	34	-1.0	-51.00	296.49	-2.40	-53.40
CO[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050619	0	36	-1.0	-50.13	311.62	-0.83	-50.96
CC=CC(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050620	0	37	-1.0	-50.63	324.83	-1.64	-52.27
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050621	0	41	0.0	-70.99	332.80	0.23	-70.76
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050621	1	40	-1.0	-50.91	326.84	-2.19	-53.10
CCC=C(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050622	0	36	-1.0	-46.91	317.96	0.52	-46.39
CCC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050623	0	36	-1.0	-47.37	313.79	0.49	-46.88
CC(C)(CO)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050625	0	39	-1.0	-49.93	326.89	-2.85	-52.78
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005050626	0	36	-1.0	-48.06	312.36	0.42	-47.64
O=C(CO)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050627	0	30	-1.0	-55.61	269.60	-3.82	-59.43
NC(=O)C=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050628	0	34	-1.0	-50.63	309.14	-4.24	-54.87
CC(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050629	0	33	-1.0	-48.40	289.92	-3.04	-51.44
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005050630	0	37	-1.0	-50.29	313.94	-2.65	-52.94
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005050631	0	37	-1.0	-47.58	321.96	-1.49	-49.07
C=CCC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050632	0	39	-1.0	-50.09	330.07	0.97	-49.12
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005050633	0	33	-1.0	-55.06	294.35	-0.01	-55.07
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050634	0	41	0.0	-70.99	332.80	0.23	-70.76
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050634	1	40	-1.0	-50.91	326.84	-2.19	-53.10
O=C(CCF)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050635	0	32	-1.0	-49.52	285.70	-0.75	-50.27
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005050636	0	35	-1.0	-51.47	304.77	-4.92	-56.39
CC(C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005050637	0	37	-1.0	-48.20	321.96	1.36	-46.84
CCC1CC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050638	0	39	-1.0	-46.57	326.97	1.33	-45.24
O=C(CC1(O)CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050639	0	37	-1.0	-54.79	322.10	-2.32	-57.11
O=C(C=CCF)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050640	0	33	-1.0	-49.46	298.87	-0.15	-49.61
C#CCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050641	0	34	-1.0	-50.35	306.39	0.40	-49.95
O=C(CN1CCC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050642	0	38	-1.0	-52.15	320.48	-2.97	-55.12
O=C(C[NH+]1CCC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050642	1	39	0.0	-72.61	324.83	0.25	-72.36
C#C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050643	0	35	-1.0	-53.37	312.50	1.04	-52.33
O=C(N[C@H]1C[C@H](NC(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005050644	0	37	-1.0	-47.24	312.34	1.20	-46.04
C=C1CCC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050645	0	37	-1.0	-49.93	319.36	0.88	-49.05
C[C@H]1C(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005050646	0	39	-1.0	-50.27	327.57	1.10	-49.17
C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050647	0	41	0.0	-66.99	332.84	0.24	-66.75
C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050647	1	40	-1.0	-50.65	324.32	-2.21	-52.86
CC=CC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050648	0	37	-1.0	-50.51	327.85	1.15	-49.36
COCC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050649	0	37	-1.0	-52.78	326.04	-1.23	-54.01
CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005050650	0	37	-1.0	-50.69	315.09	-1.80	-52.49
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005050651	0	34	-1.0	-51.21	298.00	-1.36	-52.57
[N-]=[N+]=NCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050652	0	34	-1.0	-46.76	309.28	-4.27	-51.03
C#CCOCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050653	0	35	-1.0	-56.92	319.47	-0.04	-56.96
CC(C)(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050654	0	36	-1.0	-48.46	309.65	-3.47	-51.93
CC1=CC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050655	0	34	-1.0	-48.02	304.70	0.57	-47.45
CN(C)C(=O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050656	0	36	-1.0	-47.84	311.98	-2.06	-49.90
CSC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050657	0	34	-1.0	-47.23	314.74	0.04	-47.19
CCC(C)(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050658	0	39	-1.0	-46.43	326.21	-2.79	-49.22
CC[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050659	0	41	0.0	-68.82	332.43	0.50	-68.32
CC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050659	1	41	0.0	-68.86	332.43	0.49	-68.37
CCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050659	1	40	-1.0	-50.79	330.61	-1.77	-52.56
C=C1CC(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005050660	0	37	-1.0	-46.88	319.41	0.90	-45.98
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005050661	0	36	-1.0	-50.87	310.26	0.49	-50.38
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005050662	0	33	-1.0	-51.17	296.50	-1.04	-52.21
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005050663	0	33	-1.0	-47.06	304.88	0.43	-46.63
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005050664	0	35	-1.0	-48.95	307.23	-0.99	-49.94
CCC[C@H](O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050665	0	39	-1.0	-47.83	331.90	-1.42	-49.25
CC(C)[C@H](O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050666	0	39	-1.0	-49.32	324.92	-2.39	-51.71
CCOC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050667	0	37	-1.0	-47.58	325.76	-0.65	-48.23
C[C@@H](O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050668	0	33	-1.0	-51.36	289.93	-3.04	-54.40
O=C(CCCCF)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050669	0	38	-1.0	-50.72	328.70	0.80	-49.92
O=C(C=CCO)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050670	0	34	-1.0	-50.45	303.80	-3.63	-54.08
COC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050671	0	39	-1.0	-50.26	323.57	-0.34	-50.60
O=C(CCCCO)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050672	0	39	-1.0	-51.52	333.54	-2.68	-54.20
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005050673	0	37	-1.0	-50.62	322.04	-2.95	-53.57
COC(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050674	0	33	-1.0	-54.03	297.74	-2.05	-56.08
O=C(N[C@H]1C[C@H](NC(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005050675	0	37	-1.0	-47.31	318.09	1.09	-46.22
C=C[C@H](C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050676	0	39	-1.0	-49.89	330.18	1.00	-48.89
O=C(C=CC1CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050677	0	37	-1.0	-47.33	324.67	1.31	-46.02
CC=C(CC)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050678	0	39	-1.0	-47.34	328.46	1.12	-46.22
C=CC(C)(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050679	0	37	-1.0	-46.20	319.78	-2.72	-48.92
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005050680	0	34	-1.0	-48.06	299.62	0.40	-47.66
CON=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050681	0	33	-1.0	-53.33	301.57	-2.30	-55.63
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005050682	0	33	-1.0	-47.35	295.84	-0.07	-47.42
O=C(COCCO)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050683	0	37	-1.0	-53.92	325.09	-3.70	-57.62
CC(C)(CF)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050684	0	38	-1.0	-46.00	322.54	0.43	-45.57
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005050685	0	34	-1.0	-47.59	303.14	-2.02	-49.61
COCC(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050686	0	37	-1.0	-51.54	323.26	-3.72	-55.26
C#CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050687	0	37	-1.0	-53.10	323.38	0.79	-52.31
O=C(COC1CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050688	0	37	-1.0	-51.10	324.06	0.21	-50.89
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005050689	0	33	-1.0	-50.19	297.59	-1.85	-52.04
CCCC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050690	0	39	-1.0	-50.24	335.27	1.27	-48.97
CC=C(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050691	0	33	-1.0	-47.17	297.65	-0.20	-47.37
CCC(CO)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050692	0	39	-1.0	-47.80	325.22	-2.47	-50.27
CC(CO)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050693	0	36	-1.0	-49.98	309.24	-3.51	-53.49
O=C(N[C@H]1C[C@H](NC(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005050694	0	32	-1.0	-48.54	292.89	-1.16	-49.70
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005050695	0	36	-1.0	-53.07	317.60	0.69	-52.38
C#CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050696	0	35	-1.0	-46.80	315.35	0.96	-45.84
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005050697	0	35	-1.0	-50.81	305.85	-1.05	-51.86
C[C@H](O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050698	0	33	-1.0	-48.48	289.98	-3.04	-51.52
O=C(N[C@H]1C[C@H](NC(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005050699	0	37	-1.0	-46.89	314.68	0.92	-45.97
CC(O)C(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050700	0	39	-1.0	-49.66	323.09	-1.61	-51.27
C=C1CC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050701	0	34	-1.0	-47.48	303.19	0.45	-47.03
CC(CF)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050702	0	35	-1.0	-46.33	304.46	-0.10	-46.43
C=C(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050703	0	36	-1.0	-47.29	313.66	0.31	-46.98
CCSCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050704	0	36	-1.0	-49.42	323.66	0.43	-48.99
CC(C)=C(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050705	0	39	-1.0	-46.88	323.35	1.10	-45.78
CCCC(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050706	0	39	-1.0	-50.75	331.97	-1.42	-52.17
CCC(O)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050707	0	39	-1.0	-54.18	331.29	-1.75	-55.93
CC(Cl)=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050708	0	33	-1.0	-51.92	304.66	0.22	-51.70
CC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050709	0	33	-1.0	-50.51	292.69	-0.27	-50.78
CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005050710	0	36	-1.0	-54.66	312.07	0.60	-54.06
O=C(N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005050711	0	37	-1.0	-54.54	317.29	-3.04	-57.58
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050712	0	36	-1.0	-50.29	311.02	0.55	-49.74
CNC(=O)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050713	0	36	-1.0	-63.13	315.20	-1.86	-64.99
C=CC=CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050714	0	37	-1.0	-48.05	327.30	1.08	-46.97
NC(=O)CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050715	0	36	-1.0	-51.51	316.82	-4.06	-55.57
CC(O)CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050716	0	39	-1.0	-47.52	332.42	-2.62	-50.14
C#CCC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050717	0	37	-1.0	-49.96	324.28	0.96	-49.00
CC(CCO)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050718	0	39	-1.0	-50.50	328.23	-2.93	-53.43
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005050719	0	33	-1.0	-51.98	296.23	-2.88	-54.86
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005050720	0	34	-1.0	-49.89	298.02	-3.20	-53.09
O=C(CC1CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050721	0	36	-1.0	-50.77	310.05	0.64	-50.13
CC(C)(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050722	0	35	-1.0	-48.52	305.58	-0.22	-48.74
CC(F)(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050723	0	32	-1.0	-46.62	291.03	-0.71	-47.33
COCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050724	0	33	-1.0	-50.40	291.84	-1.53	-51.93
CCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050725	0	35	-1.0	-47.33	300.66	-0.12	-47.45
O=C(N[C@H]1C[C@H](NC(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005050726	0	33	-1.0	-48.49	298.79	-0.58	-49.07
CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050727	0	36	-1.0	-49.94	317.78	-3.20	-53.14
CC(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050728	0	38	-1.0	-46.80	317.35	0.46	-46.34
CC1CC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050729	0	36	-1.0	-49.67	305.62	0.61	-49.06
CCOCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050730	0	36	-1.0	-54.03	313.69	-0.58	-54.61
CC(C)=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050731	0	36	-1.0	-46.86	308.46	0.42	-46.44
O=C(N[C@H]1C[C@H](NC(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050732	0	37	-1.0	-54.84	315.53	-0.32	-55.16
CSCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050733	0	33	-1.0	-53.17	302.17	-0.46	-53.63
CSCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050734	0	36	-1.0	-49.50	323.92	0.35	-49.15
CC(C)CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050735	0	41	-1.0	-47.14	339.68	1.17	-45.97
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005050736	0	34	-1.0	-53.50	301.61	-0.80	-54.30
O=C(N[C@H]1C[C@H](NC(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005050737	0	33	-1.0	-54.45	297.89	-0.60	-55.05
CCCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050738	0	41	-1.0	-50.41	343.63	1.44	-48.97
CC(C)(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050739	0	41	-1.0	-49.08	332.31	0.99	-48.09
CCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050740	0	38	-1.0	-47.29	322.11	0.66	-46.63
CC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050741	0	35	-1.0	-47.08	298.67	-0.21	-47.29
CCC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050742	0	38	-1.0	-46.95	316.78	0.43	-46.52
CCC(CC)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050743	0	41	-1.0	-50.35	332.63	0.91	-49.44
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005050744	0	33	-1.0	-48.47	296.32	-2.11	-50.58
CSC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050745	0	36	-1.0	-52.94	320.73	0.11	-52.83
CCOC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050746	0	39	-1.0	-54.01	333.50	0.12	-53.89
O=C(N[C@H]1C[C@H](NC(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005050747	0	33	-1.0	-51.99	296.61	-2.15	-54.14
COCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050748	0	39	-1.0	-53.41	334.29	-1.05	-54.46
O=C(N[C@H]1C[C@H](NC(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005050749	0	32	-1.0	-50.42	293.24	-1.34	-51.76
CCC=C(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050750	0	39	-1.0	-50.56	327.83	1.19	-49.37
COC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050751	0	36	-1.0	-53.92	311.64	-0.82	-54.74
CC(C)OCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050752	0	39	-1.0	-53.95	333.98	0.15	-53.80
CCCOCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050753	0	39	-1.0	-50.15	335.19	0.23	-49.92
O=C(N[C@H]1C[C@H](NC(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005050754	0	37	-1.0	-47.74	313.07	-1.62	-49.36
CCC(OC)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050755	0	39	-1.0	-53.36	328.16	-0.12	-53.48
COC(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050756	0	39	-1.0	-48.25	331.92	-0.30	-48.55
C=CCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050757	0	36	-1.0	-47.10	313.43	0.44	-46.66
CCOCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050758	0	39	-1.0	-49.98	334.71	-0.85	-50.83
COCC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050759	0	39	-1.0	-49.62	331.52	-1.11	-50.73
C=CCOCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050760	0	37	-1.0	-50.64	326.62	0.00	-50.64
O=C(N[C@H]1C[C@H](NC(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005050761	0	32	-1.0	-50.55	293.57	-3.97	-54.52
CC(C#N)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050762	0	33	-1.0	-58.45	298.08	-0.60	-59.05
CCCC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050763	0	41	-1.0	-46.94	338.29	1.19	-45.75
O=C(CCC1CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050764	0	39	-1.0	-47.25	332.22	1.44	-45.81
O=C(N[C@H]1C[C@H](NC(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005050765	0	37	-1.0	-50.19	314.69	0.89	-49.30
O=C(CC1CCC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050766	0	39	-1.0	-47.26	327.02	1.16	-46.10
CC(C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005050767	0	39	-1.0	-50.56	327.94	1.22	-49.34
CC=C(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050768	0	36	-1.0	-47.61	307.44	0.41	-47.20
CC1CC(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005050769	0	39	-1.0	-50.00	325.63	0.98	-49.02
O=C(C=C1CCC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050770	0	37	-1.0	-50.60	318.30	1.10	-49.50
CC(C)=C(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050771	0	36	-1.0	-48.72	317.40	0.20	-48.52
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005050772	0	37	-1.0	-47.45	315.76	0.99	-46.46
CC1(C)CC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050773	0	39	-1.0	-46.63	326.26	1.11	-45.52
CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050774	0	39	-1.0	-46.56	326.26	1.09	-45.47
O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050775	0	37	-1.0	-54.53	315.13	-0.34	-54.87
CCC(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050776	0	41	-1.0	-49.96	335.57	1.13	-48.83
C#CCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050777	0	37	-1.0	-53.47	327.96	1.18	-52.29
CC(C)(O)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050778	0	39	-1.0	-49.73	326.10	-1.81	-51.54
CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050779	0	39	-1.0	-50.54	326.32	-1.49	-52.03
CCC(C)=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050780	0	39	-1.0	-49.23	330.18	1.19	-48.04
CC(C)C#CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050781	0	37	-1.0	-48.15	328.50	1.15	-47.00
O=C(C#CC1CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050782	0	35	-1.0	-50.98	318.25	1.30	-49.68
CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050783	0	32	-1.0	-47.44	279.11	-0.89	-48.33
COCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050784	0	36	-1.0	-47.37	312.79	-1.83	-49.20
O=C(N[C@H]1C[C@H](NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005050785	0	33	-1.0	-50.35	289.64	-0.12	-50.47
O=C(N[C@H]1C[C@H](NC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005050786	0	36	-1.0	-47.03	305.85	0.39	-46.64
O=C(N[C@H]1C[C@H](NC(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005050787	0	39	-1.0	-50.29	322.22	0.99	-49.30
C=CCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050788	0	39	-1.0	-47.66	334.94	1.22	-46.44
CCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050789	0	41	-1.0	-47.00	331.78	0.85	-46.15
NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050790	0	30	-1.0	-47.64	274.46	-5.55	-53.19
CC1CC1CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050791	0	39	-1.0	-47.45	331.44	1.32	-46.13
CCC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050792	0	39	-1.0	-50.38	331.95	1.09	-49.29
CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050793	0	38	-1.0	-50.22	317.55	0.35	-49.87
C=C(C)CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050794	0	39	-1.0	-46.97	335.11	1.11	-45.86
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005050795	0	36	-1.0	-49.66	312.15	0.58	-49.08
CC(C)C(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050796	0	41	-1.0	-49.62	332.71	0.99	-48.63
CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050797	0	39	-1.0	-47.18	332.41	1.32	-45.86
O=C(N[C@H]1C[C@H](NC(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005050798	0	37	-1.0	-47.49	322.08	1.35	-46.14
O=C(N[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050799	0	37	-1.0	-50.79	315.13	-0.34	-51.13
CC1(CC(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050800	0	39	-1.0	-50.17	329.51	1.15	-49.02
CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050801	0	36	-1.0	-47.12	307.44	0.49	-46.63
O=C(N[C@H]1C[C@H](NC(=O)C2=CNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005050802	0	34	-1.0	-49.96	301.99	-0.71	-50.67
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005050803	0	32	-1.0	-49.04	293.52	-3.87	-52.91
C=CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050804	0	39	-1.0	-50.69	326.37	0.74	-49.95
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050805	0	36	-1.0	-50.29	311.02	0.55	-49.74
CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005050806	0	39	-1.0	-50.35	323.03	0.90	-49.45
CCC(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050807	0	35	-1.0	-50.99	306.92	-0.09	-51.08
O=C(CCCF)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050808	0	35	-1.0	-49.72	307.20	0.02	-49.70
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050809	0	36	-1.0	-47.23	311.01	0.54	-46.69
CC(C)C(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050810	0	38	-1.0	-48.87	325.72	0.40	-48.47
O=C(N[C@H]1C[C@H](NC(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005050811	0	32	-1.0	-48.94	292.02	-3.55	-52.49
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005050811	1	32	-1.0	-49.09	291.13	-3.49	-52.58
O=C(CO)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050812	0	30	-1.0	-55.61	269.60	-3.82	-59.43
NC(=O)C=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050813	0	34	-1.0	-50.63	309.14	-4.24	-54.87
COC(=O)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050814	0	35	-1.0	-54.62	311.06	0.07	-54.55
CSC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050815	0	34	-1.0	-47.23	314.74	0.04	-47.19
NC(=O)CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050816	0	36	-1.0	-51.51	316.82	-4.06	-55.57
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005050817	0	34	-1.0	-51.21	298.00	-1.36	-52.57
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005050818	0	33	-1.0	-47.06	304.88	0.43	-46.63
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005050819	0	35	-1.0	-48.95	307.23	-0.99	-49.94
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005050820	0	34	-1.0	-51.00	296.49	-2.40	-53.40
O=C(C=CCO)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050821	0	34	-1.0	-50.45	303.80	-3.63	-54.08
CC=CC(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050822	0	37	-1.0	-50.63	324.83	-1.64	-52.27
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050823	0	41	0.0	-70.99	332.80	0.23	-70.76
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050823	1	40	-1.0	-50.91	326.84	-2.19	-53.10
CCC=C(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050824	0	36	-1.0	-46.91	317.96	0.52	-46.39
CCC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050825	0	36	-1.0	-47.37	313.79	0.49	-46.88
[N-]=[N+]=NCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050826	0	34	-1.0	-46.76	309.28	-4.27	-51.03
C#CCOCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050827	0	35	-1.0	-56.92	319.47	-0.04	-56.96
CC(O)CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050828	0	39	-1.0	-47.52	332.42	-2.62	-50.14
C#CCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050829	0	34	-1.0	-50.35	306.39	0.40	-49.95
CC=CC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050830	0	37	-1.0	-50.51	327.85	1.15	-49.36
COCC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050831	0	37	-1.0	-52.78	326.04	-1.23	-54.01
CCC(C)(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050832	0	39	-1.0	-46.43	326.21	-2.79	-49.22
C#CCC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050833	0	37	-1.0	-49.96	324.28	0.96	-49.00
C=CC(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050834	0	34	-1.0	-50.74	300.47	-2.31	-53.05
O=C(N[C@H]1C[C@H](NC(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005050835	0	37	-1.0	-47.31	318.09	1.09	-46.22
C=C[C@H](C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050836	0	39	-1.0	-49.89	330.18	1.00	-48.89
O=C(C=CC1CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050837	0	37	-1.0	-47.33	324.67	1.31	-46.02
CCC(C#N)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050838	0	36	-1.0	-48.01	318.78	0.05	-47.96
O=C(N[C@H]1C[C@H](NC(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005050839	0	37	-1.0	-47.24	312.34	1.20	-46.04
C=C1CCC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050840	0	37	-1.0	-49.93	319.36	0.88	-49.05
C[C@H]1C(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005050841	0	39	-1.0	-50.27	327.57	1.10	-49.17
CC[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050842	0	41	0.0	-68.82	332.43	0.50	-68.32
CC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050842	1	41	0.0	-68.86	332.43	0.49	-68.37
CCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050842	1	40	-1.0	-50.79	330.61	-1.77	-52.56
CC(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050843	0	33	-1.0	-48.40	289.92	-3.04	-51.44
CC(=O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050844	0	31	-1.0	-46.93	281.42	-1.74	-48.67
N#CCCCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050845	0	36	-1.0	-59.46	321.53	0.39	-59.07
N#CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050846	0	34	-1.0	-49.48	308.96	0.14	-49.34
C=C1CC(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005050847	0	37	-1.0	-46.88	319.41	0.90	-45.98
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005050848	0	33	-1.0	-47.35	295.84	-0.07	-47.42
COC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050849	0	39	-1.0	-50.26	323.57	-0.34	-50.60
CC(CC#N)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050850	0	36	-1.0	-48.73	317.84	0.15	-48.58
CCC1CC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050851	0	39	-1.0	-46.57	326.97	1.33	-45.24
C=CC(C)(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050852	0	37	-1.0	-46.20	319.78	-2.72	-48.92
CCCC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050853	0	39	-1.0	-50.24	335.27	1.27	-48.97
CC=C(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050854	0	33	-1.0	-47.17	297.65	-0.20	-47.37
C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050855	0	41	0.0	-66.99	332.84	0.24	-66.75
C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050855	1	40	-1.0	-50.65	324.32	-2.21	-52.86
CCOC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050856	0	37	-1.0	-47.58	325.76	-0.65	-48.23
CC(=O)OCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050857	0	35	-1.0	-53.16	315.19	0.05	-53.11
CC(=O)C=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050858	0	35	-1.0	-50.38	316.06	-0.41	-50.79
O=C(COC1CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050859	0	37	-1.0	-51.10	324.06	0.21	-50.89
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005050860	0	33	-1.0	-50.19	297.59	-1.85	-52.04
CC(CO)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050861	0	36	-1.0	-49.98	309.24	-3.51	-53.49
O=C(N[C@H]1C[C@H](NC(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005050862	0	32	-1.0	-48.54	292.89	-1.16	-49.70
O=C(CCCCO)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050863	0	39	-1.0	-51.52	333.54	-2.68	-54.20
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC1	REAL250005050864	0	35	-1.0	-46.25	312.45	-0.16	-46.41
O=C(CC1(O)CC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050865	0	37	-1.0	-54.79	322.10	-2.32	-57.11
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005050866	0	36	-1.0	-50.87	310.26	0.49	-50.38
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005050867	0	36	-1.0	-53.07	317.60	0.69	-52.38
CCC(CO)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050868	0	39	-1.0	-47.80	325.22	-2.47	-50.27
N#C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050869	0	34	-1.0	-56.75	306.60	0.18	-56.57
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005050870	0	35	-1.0	-50.81	305.85	-1.05	-51.86
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005050871	0	34	-1.0	-49.89	298.02	-3.20	-53.09
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005050872	0	34	-1.0	-48.06	299.62	0.40	-47.66
CC(CF)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050873	0	35	-1.0	-46.33	304.46	-0.10	-46.43
CC(Cl)=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050874	0	33	-1.0	-51.92	304.66	0.22	-51.70
CC=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050875	0	33	-1.0	-50.51	292.69	-0.27	-50.78
CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005050876	0	36	-1.0	-54.66	312.07	0.60	-54.06
O=C(C=CCF)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050877	0	33	-1.0	-49.46	298.87	-0.15	-49.61
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005050878	0	37	-1.0	-50.62	322.04	-2.95	-53.57
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005050879	0	32	-1.0	-48.49	293.22	-1.14	-49.63
C[C@H](O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050881	0	33	-1.0	-48.48	289.98	-3.04	-51.52
CON=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050882	0	33	-1.0	-53.33	301.57	-2.30	-55.63
CC(C)[C@H](O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050883	0	39	-1.0	-49.32	324.92	-2.39	-51.71
C#CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050884	0	35	-1.0	-46.80	315.35	0.96	-45.84
C=CC=CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050885	0	37	-1.0	-48.05	327.30	1.08	-46.97
C#C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050886	0	35	-1.0	-53.37	312.50	1.04	-52.33
CC=C(CC)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050887	0	39	-1.0	-47.34	328.46	1.12	-46.22
COC(F)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050888	0	33	-1.0	-54.03	297.74	-2.05	-56.08
COCC(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050889	0	37	-1.0	-51.54	323.26	-3.72	-55.26
N#C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050890	0	34	-1.0	-50.04	310.63	0.30	-49.74
O=C(N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005050891	0	37	-1.0	-54.54	317.29	-3.04	-57.58
O=C(COCCO)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050892	0	37	-1.0	-53.92	325.09	-3.70	-57.62
CC(C)(CF)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050893	0	38	-1.0	-46.00	322.54	0.43	-45.57
CC(C)(CO)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050894	0	39	-1.0	-49.93	326.89	-2.85	-52.78
C=CCC(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050895	0	39	-1.0	-50.09	330.07	0.97	-49.12
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050896	0	36	-1.0	-50.29	311.02	0.55	-49.74
CC(C)(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050897	0	36	-1.0	-48.46	309.65	-3.47	-51.93
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005050898	0	34	-1.0	-47.59	303.14	-2.02	-49.61
CC(C#N)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050899	0	36	-1.0	-50.74	316.66	0.14	-50.60
CC(CCO)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050900	0	39	-1.0	-50.50	328.23	-2.93	-53.43
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005050901	0	33	-1.0	-51.98	296.23	-2.88	-54.86
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005050902	0	37	-1.0	-50.29	313.94	-2.65	-52.94
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005050903	0	37	-1.0	-47.58	321.96	-1.49	-49.07
C=C(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050904	0	36	-1.0	-47.29	313.66	0.31	-46.98
CC(C)(C#N)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050905	0	36	-1.0	-52.80	317.00	-0.08	-52.88
CCSCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050906	0	36	-1.0	-49.42	323.66	0.43	-48.99
CC(C)=C(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050907	0	39	-1.0	-46.88	323.35	1.10	-45.78
CNC(=O)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050908	0	36	-1.0	-63.13	315.20	-1.86	-64.99
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005050909	0	36	-1.0	-46.46	312.45	0.47	-45.99
C=CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050910	0	33	-1.0	-47.66	292.03	-0.35	-48.01
C[NH+](C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050911	0	38	0.0	-72.77	314.70	-0.17	-72.94
CN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050911	1	37	-1.0	-50.99	312.69	-2.56	-53.55
N#CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050912	0	30	-1.0	-55.70	278.61	-1.22	-56.92
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005050913	0	33	-1.0	-55.06	294.35	-0.01	-55.07
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050914	0	41	0.0	-70.99	332.80	0.23	-70.76
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005050914	1	40	-1.0	-50.91	326.84	-2.19	-53.10
O=C(CCF)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050915	0	32	-1.0	-49.52	285.70	-0.75	-50.27
O=C(N[C@H]1C[C@H](NC(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005050916	0	37	-1.0	-46.89	314.68	0.92	-45.97
C#CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050917	0	37	-1.0	-53.10	323.38	0.79	-52.31
CO[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050918	0	36	-1.0	-50.13	311.62	-0.83	-50.96
CC(=O)CCC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050919	0	37	-1.0	-50.11	323.82	-0.21	-50.32
C[C@@H](O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050920	0	33	-1.0	-51.36	289.93	-3.04	-54.40
O=C(CN1CCC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050921	0	38	-1.0	-52.15	320.48	-2.97	-55.12
O=C(C[NH+]1CCC1)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050921	1	39	0.0	-72.61	324.83	0.25	-72.36
CC(O)C(C)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050922	0	39	-1.0	-49.66	323.09	-1.61	-51.27
C=C1CC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050923	0	34	-1.0	-47.48	303.19	0.45	-47.03
COC(OC)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050924	0	37	-1.0	-51.99	317.27	-1.86	-53.85
CC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005050925	0	37	-1.0	-50.69	315.09	-1.80	-52.49
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005050926	0	34	-1.0	-58.58	304.07	-4.20	-62.78
O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005050927	0	34	-1.0	-54.67	303.64	-4.55	-59.22
CCC[C@H](O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050928	0	39	-1.0	-47.83	331.90	-1.42	-49.25
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005050929	0	36	-1.0	-48.06	312.36	0.42	-47.64
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005050930	0	33	-1.0	-51.17	296.50	-1.04	-52.21
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)C1	REAL250005050931	0	35	-1.0	-52.35	308.58	-0.53	-52.88
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005050932	0	35	-1.0	-51.47	304.77	-4.92	-56.39
CC(C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005050933	0	37	-1.0	-48.20	321.96	1.36	-46.84
CC1=CC1C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050934	0	34	-1.0	-48.02	304.70	0.57	-47.45
CN(C)C(=O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050935	0	36	-1.0	-47.84	311.98	-2.06	-49.90
CCCC(O)C(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050936	0	39	-1.0	-50.75	331.97	-1.42	-52.17
CCC(O)CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050937	0	39	-1.0	-54.18	331.29	-1.75	-55.93
O=C(CCCCF)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050938	0	38	-1.0	-50.72	328.70	0.80	-49.92
O=C(N[C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005050939	0	34	-1.0	-54.39	304.06	-4.21	-58.60
COC1(C(=O)N[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005050940	0	37	-1.0	-47.97	317.55	-0.84	-48.81
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005050941	0	34	-1.0	-50.37	305.73	0.03	-50.34
C=CC(=O)N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050942	0	30	-1.0	-50.74	271.01	-1.16	-51.90
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005050943	0	34	-1.0	-58.58	304.07	-4.20	-62.78
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005050944	0	36	-1.0	-46.46	312.45	0.47	-45.99
O=C(N[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005050945	0	32	-1.0	-48.49	293.22	-1.14	-49.63
CCC(=O)NC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050946	0	39	-1.0	-48.65	308.40	1.69	-46.96
CC(=O)NC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050947	0	36	-1.0	-46.91	288.11	0.88	-46.03
O=C(CO)NC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005050948	0	37	-1.0	-52.91	298.86	-1.22	-54.13
CCC(=O)N1C2CCC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005050949	0	39	-1.0	-46.54	302.52	3.30	-43.24
CC(=O)N1C2CCC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005050950	0	36	-1.0	-46.41	291.46	1.03	-45.38
O=C(CO)N1C2CCC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005050951	0	37	-1.0	-51.08	292.99	0.41	-50.67
C=CC(=O)N1C2CCC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005050952	0	37	-1.0	-46.65	292.97	2.97	-43.68
CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL250005050953	0	39	-1.0	-52.13	297.78	2.57	-49.56
CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005050954	0	39	-1.0	-53.74	297.23	2.52	-51.22
CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050955	0	32	-1.0	-48.60	279.25	-0.94	-49.54
COCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050956	0	36	-1.0	-44.90	309.91	-1.13	-46.03
O=C(N[C@H]1C[C@@H](NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005050957	0	33	-1.0	-48.37	289.77	-0.16	-48.53
O=C(N[C@H]1C[C@@H](NC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005050958	0	36	-1.0	-44.92	300.61	0.91	-44.01
O=C(N[C@H]1C[C@@H](NC(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005050959	0	39	-1.0	-48.07	322.29	0.96	-47.11
O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050960	0	36	-1.0	-45.30	304.87	1.17	-44.13
CC(C)(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050961	0	35	-1.0	-44.00	300.38	0.31	-43.69
CC(F)(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050962	0	32	-1.0	-44.56	288.07	-0.02	-44.58
COCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050963	0	33	-1.0	-51.73	291.97	-1.58	-53.31
CCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050964	0	35	-1.0	-43.48	297.69	0.55	-42.93
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005050965	0	33	-1.0	-46.65	293.55	-0.06	-46.71
CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050966	0	36	-1.0	-49.17	314.89	-2.54	-51.71
CC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050967	0	38	-1.0	-43.40	314.42	1.15	-42.25
CC1CC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050968	0	36	-1.0	-47.63	305.68	0.56	-47.07
CCOCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050969	0	36	-1.0	-51.74	313.86	-0.62	-52.36
CC(C)=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050970	0	36	-1.0	-45.06	303.38	0.94	-44.12
O=C(N[C@H]1C[C@@H](NC(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005050971	0	37	-1.0	-52.46	315.71	-0.37	-52.83
CSCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050972	0	33	-1.0	-50.86	302.31	-0.51	-51.37
CSCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050973	0	36	-1.0	-44.39	320.99	1.04	-43.35
CC(C)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050974	0	41	-1.0	-48.30	339.85	1.13	-47.17
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005050975	0	34	-1.0	-44.02	298.70	-0.11	-44.13
O=C(N[C@H]1C[C@@H](NC(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005050976	0	33	-1.0	-52.06	298.05	-0.65	-52.71
CCCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050977	0	41	-1.0	-48.36	343.75	1.40	-46.96
CC(C)(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050978	0	41	-1.0	-47.12	332.45	0.94	-46.18
CCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050979	0	38	-1.0	-43.47	319.21	1.33	-42.14
CC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050980	0	35	-1.0	-48.20	298.83	-0.27	-48.47
CCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050981	0	38	-1.0	-48.10	316.92	0.39	-47.71
CCC(CC)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050982	0	41	-1.0	-48.07	332.78	0.88	-47.19
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005050983	0	33	-1.0	-46.14	293.40	-1.41	-47.55
CSC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050984	0	36	-1.0	-46.91	315.45	0.63	-46.28
CCOC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050985	0	39	-1.0	-45.84	330.59	0.81	-45.03
O=C(N[C@H]1C[C@@H](NC(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005050986	0	33	-1.0	-50.61	296.78	-2.18	-52.79
COCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050987	0	39	-1.0	-51.07	334.43	-1.09	-52.16
O=C(N[C@H]1C[C@@H](NC(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005050988	0	32	-1.0	-49.32	293.35	-1.39	-50.71
CCC=C(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050989	0	39	-1.0	-45.22	322.56	1.66	-43.56
COC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050990	0	36	-1.0	-51.40	311.77	-0.86	-52.26
CC(C)OCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050991	0	39	-1.0	-51.63	334.10	0.11	-51.52
CCCOCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050992	0	39	-1.0	-46.23	332.32	0.91	-45.32
O=C(N[C@H]1C[C@@H](NC(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005050993	0	37	-1.0	-47.66	307.82	-1.02	-48.68
CCC(OC)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050994	0	39	-1.0	-46.42	326.88	0.56	-45.86
COC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050995	0	39	-1.0	-45.83	326.74	0.21	-45.62
C=CCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050996	0	36	-1.0	-45.24	308.23	0.96	-44.28
CCOCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050997	0	39	-1.0	-44.88	331.71	-0.16	-45.04
COCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050998	0	39	-1.0	-47.82	331.64	-1.15	-48.97
C=CCOCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050999	0	37	-1.0	-52.08	326.73	-0.04	-52.12
O=C(N[C@H]1C[C@@H](NC(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005051000	0	32	-1.0	-49.32	293.66	-4.02	-53.34
CCCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051001	0	41	-1.0	-48.21	338.42	1.13	-47.08
O=C(CCC1CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051002	0	39	-1.0	-48.44	332.36	1.39	-47.05
O=C(N[C@H]1C[C@@H](NC(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005051003	0	37	-1.0	-45.04	309.49	1.39	-43.65
O=C(CC1CCC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051004	0	39	-1.0	-43.30	324.15	1.85	-41.45
CC(C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005051005	0	39	-1.0	-43.12	325.02	1.91	-41.21
CC=C(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051006	0	36	-1.0	-43.72	304.51	1.09	-42.63
CC1CC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005051007	0	39	-1.0	-43.25	323.85	1.71	-41.54
O=C(C=C1CCC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051008	0	37	-1.0	-44.43	315.38	1.77	-42.66
CC(C)=C(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051009	0	36	-1.0	-45.79	308.13	1.00	-44.79
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005051010	0	37	-1.0	-48.28	315.83	0.94	-47.34
CC1(C)CC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051011	0	39	-1.0	-43.15	323.34	1.79	-41.36
CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051012	0	39	-1.0	-43.09	323.32	1.79	-41.30
O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005051013	0	37	-1.0	-52.20	315.47	-0.41	-52.61
CCC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051014	0	41	-1.0	-43.33	332.66	1.79	-41.54
C#CCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051015	0	37	-1.0	-51.27	328.06	1.13	-50.14
CC(C)(O)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051016	0	39	-1.0	-47.77	323.70	-1.53	-49.30
CC(C)[C@@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051017	0	39	-1.0	-44.98	321.20	-0.98	-45.96
CCC(C)=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051018	0	39	-1.0	-44.90	325.09	1.69	-43.21
CC(C)C#CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051019	0	37	-1.0	-45.52	325.59	1.81	-43.71
O=C(C#CC1CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051020	0	35	-1.0	-47.11	312.98	1.82	-45.29
C=C(C)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051021	0	39	-1.0	-43.47	332.22	1.79	-41.68
CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051022	0	36	-1.0	-44.88	302.18	1.01	-43.87
O=C(N[C@H]1C[C@@H](NC(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005051023	0	37	-1.0	-46.83	312.23	0.35	-46.48
O=C(N[C@H]1C[C@@H](NC(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005051024	0	32	-1.0	-46.29	286.84	-3.03	-49.32
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005051024	1	32	-1.0	-50.23	291.26	-3.52	-53.75
CC1(CC(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051025	0	39	-1.0	-43.21	327.65	1.83	-41.38
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005051026	0	32	-1.0	-49.54	293.67	-3.92	-53.46
C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051027	0	39	-1.0	-48.44	326.46	0.70	-47.74
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051028	0	36	-1.0	-43.76	308.10	1.22	-42.54
CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005051029	0	39	-1.0	-43.01	320.13	1.60	-41.41
CCC(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051030	0	35	-1.0	-44.92	301.69	0.43	-44.49
O=C(CCCF)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051031	0	35	-1.0	-45.45	304.29	0.70	-44.75
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051032	0	36	-1.0	-48.23	311.14	0.51	-47.72
CC(C)C(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051033	0	38	-1.0	-44.02	322.59	1.11	-42.91
C=CCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051034	0	39	-1.0	-48.86	335.06	1.18	-47.68
CCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051035	0	41	-1.0	-44.57	326.58	1.36	-43.21
NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051036	0	30	-1.0	-47.11	274.59	-5.60	-52.71
CC1CC1CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051037	0	39	-1.0	-43.83	326.47	1.97	-41.86
CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051038	0	39	-1.0	-48.26	331.21	0.99	-47.27
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005051039	0	36	-1.0	-47.59	312.27	0.54	-47.05
CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051040	0	38	-1.0	-48.06	317.71	0.30	-47.76
CC(C)C(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051041	0	41	-1.0	-47.47	332.82	0.93	-46.54
CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051042	0	39	-1.0	-43.71	329.52	1.99	-41.72
O=C(N[C@H]1C[C@@H](NC(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005051043	0	37	-1.0	-44.43	319.18	2.03	-42.40
O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005051044	0	34	-1.0	-51.00	298.85	-3.69	-54.69
O=C(N[C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005051045	0	34	-1.0	-50.60	298.86	-3.68	-54.28
COC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051046	0	37	-1.0	-46.22	315.05	-0.56	-46.78
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005051047	0	34	-1.0	-44.22	302.80	0.72	-43.50
C=CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051048	0	33	-1.0	-48.65	292.16	-0.39	-49.04
C[NH+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051049	0	38	0.0	-61.72	309.52	0.34	-61.38
CN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051049	1	37	-1.0	-48.85	312.76	-2.60	-51.45
C=CC(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051050	0	34	-1.0	-44.97	297.94	-1.99	-46.96
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005051051	0	34	-1.0	-49.14	296.62	-2.43	-51.57
CO[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051052	0	36	-1.0	-51.43	311.75	-0.87	-52.30
CC=CC(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051053	0	37	-1.0	-45.31	316.98	-0.93	-46.24
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005051054	0	41	0.0	-69.51	332.97	0.19	-69.32
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005051054	1	40	-1.0	-44.19	322.16	-1.43	-45.62
CCC=C(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051055	0	36	-1.0	-45.85	318.13	0.49	-45.36
CCC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051056	0	36	-1.0	-48.37	313.91	0.45	-47.92
CC(C)(CO)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051058	0	39	-1.0	-44.51	323.97	-2.18	-46.69
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005051059	0	36	-1.0	-46.01	312.39	0.37	-45.64
O=C(CO)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051060	0	30	-1.0	-47.31	266.67	-3.13	-50.44
NC(=O)C=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051061	0	34	-1.0	-51.00	309.24	-4.30	-55.30
CC(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051062	0	33	-1.0	-48.63	285.05	-2.54	-51.17
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005051063	0	37	-1.0	-48.67	314.07	-2.71	-51.38
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005051064	0	37	-1.0	-43.57	316.58	-0.89	-44.46
C=CCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051065	0	39	-1.0	-47.90	331.42	0.97	-46.93
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005051066	0	33	-1.0	-48.02	296.60	-0.07	-48.09
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005051067	0	41	0.0	-69.51	332.97	0.19	-69.32
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005051067	1	40	-1.0	-44.19	322.16	-1.43	-45.62
O=C(CCF)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051068	0	32	-1.0	-47.90	285.85	-0.79	-48.69
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005051069	0	35	-1.0	-46.06	299.50	-4.38	-50.44
CC(C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005051070	0	37	-1.0	-44.46	319.02	2.04	-42.42
CCC1CC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051071	0	39	-1.0	-47.71	327.11	1.29	-46.42
O=C(CC1(O)CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051072	0	37	-1.0	-52.37	322.11	-2.18	-54.55
O=C(C=CCF)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051073	0	33	-1.0	-46.32	293.69	0.35	-45.97
C#CCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051074	0	34	-1.0	-48.56	306.53	0.35	-48.21
O=C(CN1CCC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051075	0	38	-1.0	-49.75	320.62	-3.01	-52.76
O=C(C[NH+]1CCC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051075	1	39	0.0	-71.70	324.93	0.21	-71.49
C#C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051076	0	35	-1.0	-47.29	307.31	1.57	-45.72
O=C(N[C@H]1C[C@@H](NC(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005051077	0	37	-1.0	-48.26	312.47	1.17	-47.09
C=C1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051078	0	37	-1.0	-48.07	319.49	0.84	-47.23
C[C@H]1C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005051079	0	39	-1.0	-43.67	326.00	1.83	-41.84
C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005051080	0	41	0.0	-57.89	330.07	0.92	-56.97
C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005051080	1	40	-1.0	-48.76	326.63	-2.25	-51.01
CC=CC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051081	0	37	-1.0	-44.43	324.93	1.85	-42.58
COCC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051082	0	37	-1.0	-47.14	320.84	-0.71	-47.85
CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005051083	0	37	-1.0	-45.43	309.61	-1.27	-46.70
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005051084	0	34	-1.0	-47.84	292.42	-0.74	-48.58
[N-]=[N+]=NCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051085	0	34	-1.0	-43.73	306.33	-3.59	-47.32
C#CCOCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051086	0	35	-1.0	-48.23	316.58	0.65	-47.58
CC(C)(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051087	0	36	-1.0	-44.57	306.68	-2.77	-47.34
CC1=CC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051088	0	34	-1.0	-49.06	304.82	0.53	-48.53
CN(C)C(=O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051089	0	36	-1.0	-46.84	311.38	-2.09	-48.93
CSC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051090	0	34	-1.0	-47.98	314.87	-0.01	-47.99
CCC(C)(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051091	0	39	-1.0	-46.87	326.55	-2.81	-49.68
CC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051092	0	41	0.0	-71.25	332.57	0.45	-70.80
CC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051092	1	41	0.0	-59.76	329.51	1.19	-58.57
CCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051092	1	40	-1.0	-48.81	330.76	-1.81	-50.62
C=C1CC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005051093	0	37	-1.0	-43.64	316.47	1.58	-42.06
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005051094	0	36	-1.0	-51.92	310.44	0.45	-51.47
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005051095	0	33	-1.0	-52.56	296.60	-1.11	-53.67
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005051096	0	33	-1.0	-45.70	305.24	0.38	-45.32
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005051097	0	35	-1.0	-47.46	307.37	-1.04	-48.50
CCC[C@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051098	0	39	-1.0	-44.85	329.05	-0.74	-45.59
CC(C)[C@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051099	0	39	-1.0	-47.94	324.94	-2.42	-50.36
CCOC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051100	0	37	-1.0	-48.08	325.89	-0.70	-48.78
C[C@@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051101	0	33	-1.0	-49.22	290.08	-3.08	-52.30
O=C(CCCCF)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051102	0	38	-1.0	-44.79	325.80	1.47	-43.32
O=C(C=CCO)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051103	0	34	-1.0	-51.72	303.93	-3.68	-55.40
COC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051104	0	39	-1.0	-51.75	323.71	-0.40	-52.15
O=C(CCCCO)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051105	0	39	-1.0	-49.79	333.67	-2.73	-52.52
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005051106	0	37	-1.0	-52.34	323.52	-3.03	-55.37
COC(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051107	0	33	-1.0	-47.49	292.54	-1.54	-49.03
O=C(N[C@H]1C[C@@H](NC(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005051108	0	37	-1.0	-48.53	318.25	1.03	-47.50
C=C[C@H](C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051109	0	39	-1.0	-43.05	327.19	1.68	-41.37
O=C(C=CC1CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051110	0	37	-1.0	-45.52	319.48	1.81	-43.71
CC=C(CC)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051111	0	39	-1.0	-48.15	328.60	1.08	-47.07
C=CC(C)(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051112	0	37	-1.0	-46.07	314.58	-2.20	-48.27
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005051113	0	34	-1.0	-48.98	299.73	0.36	-48.62
CON=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051114	0	33	-1.0	-51.29	301.71	-2.35	-53.64
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005051115	0	33	-1.0	-45.28	292.91	0.62	-44.66
O=C(COCCO)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051116	0	37	-1.0	-54.89	325.24	-3.75	-58.64
CC(C)(CF)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051117	0	38	-1.0	-43.12	319.61	1.11	-42.01
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005051118	0	34	-1.0	-47.23	303.33	-2.07	-49.30
COCC(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051119	0	37	-1.0	-46.92	320.35	-3.03	-49.95
C#CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051120	0	37	-1.0	-46.84	318.17	1.31	-45.53
O=C(COC1CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051121	0	37	-1.0	-52.62	324.21	0.17	-52.45
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005051122	0	33	-1.0	-49.25	297.70	-1.89	-51.14
CCCC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051123	0	39	-1.0	-48.23	335.41	1.22	-47.01
CC=C(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051124	0	33	-1.0	-45.65	292.46	0.31	-45.34
CCC(CO)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051125	0	39	-1.0	-48.12	325.28	-2.51	-50.63
CC(CO)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051126	0	36	-1.0	-45.13	306.34	-2.82	-47.95
O=C(N[C@H]1C[C@@H](NC(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005051127	0	32	-1.0	-49.29	292.97	-1.21	-50.50
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005051128	0	36	-1.0	-50.83	317.74	0.64	-50.19
C#CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051129	0	35	-1.0	-47.43	315.50	0.91	-46.52
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005051130	0	35	-1.0	-48.80	305.95	-1.08	-49.88
C[C@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051131	0	33	-1.0	-49.23	290.05	-3.08	-52.31
O=C(N[C@H]1C[C@@H](NC(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005051132	0	37	-1.0	-47.90	314.89	0.87	-47.03
CC(O)C(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051133	0	39	-1.0	-45.18	323.28	-1.13	-46.31
C=C1CC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051134	0	34	-1.0	-48.38	303.28	0.41	-47.97
CC(CF)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051135	0	35	-1.0	-43.30	301.73	0.60	-42.70
C=C(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051136	0	36	-1.0	-45.33	308.53	0.84	-44.49
CCSCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051137	0	36	-1.0	-50.78	323.81	0.39	-50.39
CC(C)=C(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051138	0	39	-1.0	-47.69	323.09	1.05	-46.64
CCCC(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051139	0	39	-1.0	-48.65	332.05	-1.48	-50.13
CCC(O)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051140	0	39	-1.0	-51.74	331.42	-1.80	-53.54
CC(Cl)=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051141	0	33	-1.0	-44.60	302.09	0.93	-43.67
CC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051142	0	33	-1.0	-48.54	292.84	-0.32	-48.86
CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005051143	0	36	-1.0	-45.47	310.72	1.24	-44.23
O=C(N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005051144	0	37	-1.0	-46.02	314.33	-2.34	-48.36
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051145	0	36	-1.0	-43.76	308.10	1.22	-42.54
CNC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051146	0	36	-1.0	-51.80	312.34	-1.17	-52.97
C=CC=CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051147	0	37	-1.0	-49.27	327.44	1.03	-48.24
NC(=O)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051148	0	36	-1.0	-50.55	311.61	-3.54	-54.09
CC(O)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051149	0	39	-1.0	-49.94	332.59	-2.68	-52.62
C#CCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051150	0	37	-1.0	-48.20	324.40	0.91	-47.29
CC(CCO)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051151	0	39	-1.0	-47.44	323.02	-2.42	-49.86
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005051152	0	33	-1.0	-50.03	296.36	-2.92	-52.95
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005051153	0	34	-1.0	-44.37	295.03	-2.51	-46.88
O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051154	0	36	-1.0	-45.30	304.87	1.17	-44.13
CC(C)(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051155	0	35	-1.0	-44.00	300.38	0.31	-43.69
CC(F)(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051156	0	32	-1.0	-44.56	288.07	-0.02	-44.58
COCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051157	0	33	-1.0	-51.73	291.97	-1.58	-53.31
CCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051158	0	35	-1.0	-43.48	297.69	0.55	-42.93
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005051159	0	33	-1.0	-46.65	293.55	-0.06	-46.71
CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051160	0	36	-1.0	-49.17	314.89	-2.54	-51.71
CC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051161	0	38	-1.0	-43.40	314.42	1.15	-42.25
CC1CC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051162	0	36	-1.0	-47.63	305.68	0.56	-47.07
CCOCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051163	0	36	-1.0	-51.74	313.86	-0.62	-52.36
CC(C)=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051164	0	36	-1.0	-45.06	303.38	0.94	-44.12
O=C(N[C@H]1C[C@@H](NC(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005051165	0	37	-1.0	-52.46	315.71	-0.37	-52.83
CSCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051166	0	33	-1.0	-50.86	302.31	-0.51	-51.37
CSCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051167	0	36	-1.0	-44.39	320.99	1.04	-43.35
CC(C)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051168	0	41	-1.0	-48.30	339.85	1.13	-47.17
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005051169	0	34	-1.0	-44.02	298.70	-0.11	-44.13
O=C(N[C@H]1C[C@@H](NC(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005051170	0	33	-1.0	-52.06	298.05	-0.65	-52.71
CCCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051171	0	41	-1.0	-48.36	343.75	1.40	-46.96
CC(C)(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051172	0	41	-1.0	-47.12	332.45	0.94	-46.18
CCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051173	0	38	-1.0	-43.47	319.21	1.33	-42.14
CC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051174	0	35	-1.0	-48.20	298.83	-0.27	-48.47
CCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051175	0	38	-1.0	-48.10	316.92	0.39	-47.71
CCC(CC)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051176	0	41	-1.0	-48.07	332.78	0.88	-47.19
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005051177	0	33	-1.0	-46.14	293.40	-1.41	-47.55
CSC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051178	0	36	-1.0	-46.91	315.45	0.63	-46.28
CCOC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051179	0	39	-1.0	-45.84	330.59	0.81	-45.03
O=C(N[C@H]1C[C@@H](NC(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005051180	0	33	-1.0	-50.61	296.78	-2.18	-52.79
COCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051181	0	39	-1.0	-51.07	334.43	-1.09	-52.16
O=C(N[C@H]1C[C@@H](NC(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005051182	0	32	-1.0	-49.32	293.35	-1.39	-50.71
CCC=C(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051183	0	39	-1.0	-45.22	322.56	1.66	-43.56
COC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051184	0	36	-1.0	-51.40	311.77	-0.86	-52.26
CC(C)OCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051185	0	39	-1.0	-51.63	334.10	0.11	-51.52
CCCOCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051186	0	39	-1.0	-46.23	332.32	0.91	-45.32
O=C(N[C@H]1C[C@@H](NC(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005051187	0	37	-1.0	-47.66	307.82	-1.02	-48.68
CCC(OC)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051188	0	39	-1.0	-46.42	326.88	0.56	-45.86
COC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051189	0	39	-1.0	-45.83	326.74	0.21	-45.62
C=CCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051190	0	36	-1.0	-45.24	308.23	0.96	-44.28
CCOCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051191	0	39	-1.0	-44.88	331.71	-0.16	-45.04
COCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051192	0	39	-1.0	-47.82	331.64	-1.15	-48.97
C=CCOCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051193	0	37	-1.0	-52.08	326.73	-0.04	-52.12
O=C(N[C@H]1C[C@@H](NC(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005051194	0	32	-1.0	-49.32	293.66	-4.02	-53.34
CC(C#N)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051195	0	33	-1.0	-55.67	298.24	-0.64	-56.31
CCCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051196	0	41	-1.0	-48.21	338.42	1.13	-47.08
O=C(CCC1CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051197	0	39	-1.0	-48.44	332.36	1.39	-47.05
O=C(N[C@H]1C[C@@H](NC(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005051198	0	37	-1.0	-45.04	309.49	1.39	-43.65
O=C(CC1CCC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051199	0	39	-1.0	-43.30	324.15	1.85	-41.45
CC(C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005051200	0	39	-1.0	-43.12	325.02	1.91	-41.21
CC=C(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051201	0	36	-1.0	-43.72	304.51	1.09	-42.63
CC1CC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005051202	0	39	-1.0	-43.25	323.85	1.71	-41.54
O=C(C=C1CCC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051203	0	37	-1.0	-44.43	315.38	1.77	-42.66
CC(C)=C(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051204	0	36	-1.0	-45.79	308.13	1.00	-44.79
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005051205	0	37	-1.0	-48.28	315.83	0.94	-47.34
CC1(C)CC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051206	0	39	-1.0	-43.15	323.34	1.79	-41.36
CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051207	0	39	-1.0	-43.09	323.32	1.79	-41.30
O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005051208	0	37	-1.0	-52.20	315.47	-0.41	-52.61
CCC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051209	0	41	-1.0	-43.33	332.66	1.79	-41.54
C#CCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051210	0	37	-1.0	-51.27	328.06	1.13	-50.14
CC(C)(O)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051211	0	39	-1.0	-47.77	323.70	-1.53	-49.30
CC(C)[C@@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051212	0	39	-1.0	-44.98	321.20	-0.98	-45.96
CCC(C)=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051213	0	39	-1.0	-44.90	325.09	1.69	-43.21
CC(C)C#CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051214	0	37	-1.0	-45.52	325.59	1.81	-43.71
O=C(C#CC1CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051215	0	35	-1.0	-47.11	312.98	1.82	-45.29
CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051216	0	32	-1.0	-48.60	279.25	-0.94	-49.54
COCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051217	0	36	-1.0	-44.90	309.91	-1.13	-46.03
O=C(N[C@H]1C[C@@H](NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005051218	0	33	-1.0	-48.37	289.77	-0.16	-48.53
O=C(N[C@H]1C[C@@H](NC(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005051219	0	36	-1.0	-44.92	300.61	0.91	-44.01
O=C(N[C@H]1C[C@@H](NC(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005051220	0	39	-1.0	-48.07	322.29	0.96	-47.11
C=CCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051221	0	39	-1.0	-48.86	335.06	1.18	-47.68
CCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051222	0	41	-1.0	-44.57	326.58	1.36	-43.21
NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051223	0	30	-1.0	-47.11	274.59	-5.60	-52.71
CC1CC1CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051224	0	39	-1.0	-43.83	326.47	1.97	-41.86
CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051225	0	39	-1.0	-48.26	331.21	0.99	-47.27
CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051226	0	38	-1.0	-48.06	317.71	0.30	-47.76
C=C(C)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051227	0	39	-1.0	-43.47	332.22	1.79	-41.68
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005051228	0	36	-1.0	-47.59	312.27	0.54	-47.05
CC(C)C(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051229	0	41	-1.0	-47.47	332.82	0.93	-46.54
CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051230	0	39	-1.0	-43.71	329.52	1.99	-41.72
O=C(N[C@H]1C[C@@H](NC(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005051231	0	37	-1.0	-44.43	319.18	2.03	-42.40
O=C(N[C@H]1C[C@@H](NC(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005051232	0	37	-1.0	-46.83	312.23	0.35	-46.48
CC1(CC(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051233	0	39	-1.0	-43.21	327.65	1.83	-41.38
CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051234	0	36	-1.0	-44.88	302.18	1.01	-43.87
O=C(N[C@H]1C[C@@H](NC(=O)C2=CNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005051235	0	34	-1.0	-46.24	298.83	-0.03	-46.27
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005051236	0	32	-1.0	-49.54	293.67	-3.92	-53.46
C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051237	0	39	-1.0	-48.44	326.46	0.70	-47.74
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051238	0	36	-1.0	-43.76	308.10	1.22	-42.54
CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005051239	0	39	-1.0	-43.01	320.13	1.60	-41.41
CCC(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051240	0	35	-1.0	-44.92	301.69	0.43	-44.49
O=C(CCCF)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051241	0	35	-1.0	-45.45	304.29	0.70	-44.75
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051242	0	36	-1.0	-48.23	311.14	0.51	-47.72
CC(C)C(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051243	0	38	-1.0	-44.02	322.59	1.11	-42.91
O=C(N[C@H]1C[C@@H](NC(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005051244	0	32	-1.0	-46.29	286.84	-3.03	-49.32
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005051244	1	32	-1.0	-50.23	291.26	-3.52	-53.75
O=C(CO)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051245	0	30	-1.0	-47.31	266.67	-3.13	-50.44
NC(=O)C=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051246	0	34	-1.0	-51.00	309.24	-4.30	-55.30
COC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051247	0	35	-1.0	-49.22	308.15	0.74	-48.48
CSC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051248	0	34	-1.0	-47.98	314.87	-0.01	-47.99
NC(=O)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051249	0	36	-1.0	-50.55	311.61	-3.54	-54.09
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005051250	0	34	-1.0	-47.84	292.42	-0.74	-48.58
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005051251	0	33	-1.0	-45.70	305.24	0.38	-45.32
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005051252	0	35	-1.0	-47.46	307.37	-1.04	-48.50
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005051253	0	34	-1.0	-49.14	296.62	-2.43	-51.57
O=C(C=CCO)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051254	0	34	-1.0	-51.72	303.93	-3.68	-55.40
CC=CC(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051255	0	37	-1.0	-45.31	316.98	-0.93	-46.24
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005051256	0	41	0.0	-69.51	332.97	0.19	-69.32
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005051256	1	40	-1.0	-44.19	322.16	-1.43	-45.62
CCC=C(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051257	0	36	-1.0	-45.85	318.13	0.49	-45.36
CCC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051258	0	36	-1.0	-48.37	313.91	0.45	-47.92
[N-]=[N+]=NCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051259	0	34	-1.0	-43.73	306.33	-3.59	-47.32
C#CCOCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051260	0	35	-1.0	-48.23	316.58	0.65	-47.58
CC(O)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051261	0	39	-1.0	-49.94	332.59	-2.68	-52.62
C#CCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051262	0	34	-1.0	-48.56	306.53	0.35	-48.21
CC=CC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051263	0	37	-1.0	-44.43	324.93	1.85	-42.58
COCC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051264	0	37	-1.0	-47.14	320.84	-0.71	-47.85
CCC(C)(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051265	0	39	-1.0	-46.87	326.55	-2.81	-49.68
C#CCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051266	0	37	-1.0	-48.20	324.40	0.91	-47.29
C=CC(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051267	0	34	-1.0	-44.97	297.94	-1.99	-46.96
O=C(N[C@H]1C[C@@H](NC(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005051268	0	37	-1.0	-48.53	318.25	1.03	-47.50
C=C[C@H](C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051269	0	39	-1.0	-43.05	327.19	1.68	-41.37
O=C(C=CC1CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051270	0	37	-1.0	-45.52	319.48	1.81	-43.71
CCC(C#N)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051271	0	36	-1.0	-46.15	313.52	0.56	-45.59
O=C(N[C@H]1C[C@@H](NC(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005051272	0	37	-1.0	-48.26	312.47	1.17	-47.09
C=C1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051273	0	37	-1.0	-48.07	319.49	0.84	-47.23
C[C@H]1C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005051274	0	39	-1.0	-43.67	326.00	1.83	-41.84
CC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051275	0	41	0.0	-71.25	332.57	0.45	-70.80
CC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051275	1	41	0.0	-59.76	329.51	1.19	-58.57
CCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051275	1	40	-1.0	-48.81	330.76	-1.81	-50.62
CC(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051276	0	33	-1.0	-48.63	285.05	-2.54	-51.17
CC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051277	0	31	-1.0	-46.04	278.95	-1.07	-47.11
N#CCCCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051278	0	36	-1.0	-51.00	316.27	0.92	-50.08
N#CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051279	0	34	-1.0	-47.33	303.71	0.65	-46.68
C=C1CC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005051280	0	37	-1.0	-43.64	316.47	1.58	-42.06
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005051281	0	33	-1.0	-45.28	292.91	0.62	-44.66
COC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051282	0	39	-1.0	-51.75	323.71	-0.40	-52.15
CC(CC#N)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051283	0	36	-1.0	-46.65	314.93	0.83	-45.82
CCC1CC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051284	0	39	-1.0	-47.71	327.11	1.29	-46.42
C=CC(C)(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051285	0	37	-1.0	-46.07	314.58	-2.20	-48.27
CCCC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051286	0	39	-1.0	-48.23	335.41	1.22	-47.01
CC=C(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051287	0	33	-1.0	-45.65	292.46	0.31	-45.34
C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005051288	0	41	0.0	-57.89	330.07	0.92	-56.97
C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005051288	1	40	-1.0	-48.76	326.63	-2.25	-51.01
CCOC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051289	0	37	-1.0	-48.08	325.89	-0.70	-48.78
CC(=O)OCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051290	0	35	-1.0	-51.69	315.36	0.00	-51.69
CC(=O)C=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051291	0	35	-1.0	-48.25	313.02	0.28	-47.97
O=C(COC1CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051292	0	37	-1.0	-52.62	324.21	0.17	-52.45
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005051293	0	33	-1.0	-49.25	297.70	-1.89	-51.14
CC(CO)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051294	0	36	-1.0	-45.13	306.34	-2.82	-47.95
O=C(N[C@H]1C[C@@H](NC(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005051295	0	32	-1.0	-49.29	292.97	-1.21	-50.50
O=C(CCCCO)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051296	0	39	-1.0	-49.79	333.67	-2.73	-52.52
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC1	REAL250005051297	0	35	-1.0	-46.01	312.59	-0.20	-46.21
O=C(CC1(O)CC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051298	0	37	-1.0	-52.37	322.11	-2.18	-54.55
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005051299	0	36	-1.0	-51.92	310.44	0.45	-51.47
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005051300	0	36	-1.0	-50.83	317.74	0.64	-50.19
CCC(CO)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051301	0	39	-1.0	-48.12	325.28	-2.51	-50.63
N#C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051302	0	34	-1.0	-58.90	306.74	0.14	-58.76
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005051303	0	35	-1.0	-48.80	305.95	-1.08	-49.88
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005051304	0	34	-1.0	-44.37	295.03	-2.51	-46.88
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005051305	0	34	-1.0	-48.98	299.73	0.36	-48.62
CC(CF)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051306	0	35	-1.0	-43.30	301.73	0.60	-42.70
CC(Cl)=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051307	0	33	-1.0	-44.60	302.09	0.93	-43.67
CC=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051308	0	33	-1.0	-48.54	292.84	-0.32	-48.86
CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005051309	0	36	-1.0	-45.47	310.72	1.24	-44.23
O=C(C=CCF)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051310	0	33	-1.0	-46.32	293.69	0.35	-45.97
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005051311	0	37	-1.0	-52.34	323.52	-3.03	-55.37
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005051312	0	32	-1.0	-48.20	288.01	-0.64	-48.84
C[C@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051314	0	33	-1.0	-49.23	290.05	-3.08	-52.31
CON=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051315	0	33	-1.0	-51.29	301.71	-2.35	-53.64
CC(C)[C@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051316	0	39	-1.0	-47.94	324.94	-2.42	-50.36
C#CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051317	0	35	-1.0	-47.43	315.50	0.91	-46.52
C=CC=CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051318	0	37	-1.0	-49.27	327.44	1.03	-48.24
C#C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051319	0	35	-1.0	-47.29	307.31	1.57	-45.72
CC=C(CC)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051320	0	39	-1.0	-48.15	328.60	1.08	-47.07
COC(F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051321	0	33	-1.0	-47.49	292.54	-1.54	-49.03
COCC(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051322	0	37	-1.0	-46.92	320.35	-3.03	-49.95
N#C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051323	0	34	-1.0	-46.63	307.74	0.99	-45.64
O=C(N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005051324	0	37	-1.0	-46.02	314.33	-2.34	-48.36
O=C(COCCO)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051325	0	37	-1.0	-54.89	325.24	-3.75	-58.64
CC(C)(CF)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051326	0	38	-1.0	-43.12	319.61	1.11	-42.01
CC(C)(CO)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051327	0	39	-1.0	-44.51	323.97	-2.18	-46.69
C=CCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051328	0	39	-1.0	-47.90	331.42	0.97	-46.93
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051329	0	36	-1.0	-43.76	308.10	1.22	-42.54
CC(C)(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051330	0	36	-1.0	-44.57	306.68	-2.77	-47.34
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005051331	0	34	-1.0	-47.23	303.33	-2.07	-49.30
CC(C#N)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051332	0	36	-1.0	-49.56	316.79	0.10	-49.46
CC(CCO)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051333	0	39	-1.0	-47.44	323.02	-2.42	-49.86
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005051334	0	33	-1.0	-50.03	296.36	-2.92	-52.95
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005051335	0	37	-1.0	-48.67	314.07	-2.71	-51.38
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005051336	0	37	-1.0	-43.57	316.58	-0.89	-44.46
C=C(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051337	0	36	-1.0	-45.33	308.53	0.84	-44.49
CC(C)(C#N)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051338	0	36	-1.0	-55.00	317.11	-0.13	-55.13
CCSCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051339	0	36	-1.0	-50.78	323.81	0.39	-50.39
CC(C)=C(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051340	0	39	-1.0	-47.69	323.09	1.05	-46.64
CNC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051341	0	36	-1.0	-51.80	312.34	-1.17	-52.97
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005051342	0	36	-1.0	-44.96	309.56	1.16	-43.80
C=CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051343	0	33	-1.0	-48.65	292.16	-0.39	-49.04
C[NH+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051344	0	38	0.0	-61.72	309.52	0.34	-61.38
CN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051344	1	37	-1.0	-48.85	312.76	-2.60	-51.45
N#CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051345	0	30	-1.0	-57.69	278.72	-1.26	-58.95
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005051346	0	33	-1.0	-48.02	296.60	-0.07	-48.09
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005051347	0	41	0.0	-69.51	332.97	0.19	-69.32
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005051347	1	40	-1.0	-44.19	322.16	-1.43	-45.62
O=C(CCF)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051348	0	32	-1.0	-47.90	285.85	-0.79	-48.69
O=C(N[C@H]1C[C@@H](NC(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005051349	0	37	-1.0	-47.90	314.89	0.87	-47.03
C#CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051350	0	37	-1.0	-46.84	318.17	1.31	-45.53
CO[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051351	0	36	-1.0	-51.43	311.75	-0.87	-52.30
CC(=O)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051352	0	37	-1.0	-47.59	320.90	0.47	-47.12
C[C@@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051353	0	33	-1.0	-49.22	290.08	-3.08	-52.30
O=C(CN1CCC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051354	0	38	-1.0	-49.75	320.62	-3.01	-52.76
O=C(C[NH+]1CCC1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051354	1	39	0.0	-71.70	324.93	0.21	-71.49
CC(O)C(C)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051355	0	39	-1.0	-45.18	323.28	-1.13	-46.31
C=C1CC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051356	0	34	-1.0	-48.38	303.28	0.41	-47.97
COC(OC)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051357	0	37	-1.0	-50.77	317.55	-1.91	-52.68
CC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005051358	0	37	-1.0	-45.43	309.61	-1.27	-46.70
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005051359	0	34	-1.0	-51.00	298.89	-3.67	-54.67
O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005051360	0	34	-1.0	-51.00	298.85	-3.69	-54.69
CCC[C@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051361	0	39	-1.0	-44.85	329.05	-0.74	-45.59
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005051362	0	36	-1.0	-46.01	312.39	0.37	-45.64
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005051363	0	33	-1.0	-52.56	296.60	-1.11	-53.67
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)C1	REAL250005051364	0	35	-1.0	-51.13	302.94	-0.01	-51.14
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005051365	0	35	-1.0	-46.06	299.50	-4.38	-50.44
CC(C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005051366	0	37	-1.0	-44.46	319.02	2.04	-42.42
CC1=CC1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051367	0	34	-1.0	-49.06	304.82	0.53	-48.53
CN(C)C(=O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051368	0	36	-1.0	-46.84	311.38	-2.09	-48.93
CCCC(O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051369	0	39	-1.0	-48.65	332.05	-1.48	-50.13
CCC(O)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051370	0	39	-1.0	-51.74	331.42	-1.80	-53.54
O=C(CCCCF)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051371	0	38	-1.0	-44.79	325.80	1.47	-43.32
O=C(N[C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005051372	0	34	-1.0	-50.60	298.86	-3.68	-54.28
COC1(C(=O)N[C@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005051373	0	37	-1.0	-46.22	315.05	-0.56	-46.78
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005051374	0	34	-1.0	-44.22	302.80	0.72	-43.50
C=CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051375	0	30	-1.0	-45.82	265.78	-0.64	-46.46
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005051376	0	34	-1.0	-51.00	298.89	-3.67	-54.67
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005051377	0	36	-1.0	-44.96	309.56	1.16	-43.80
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005051378	0	32	-1.0	-48.20	288.01	-0.64	-48.84
CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051379	0	38	-1.0	-46.37	306.46	1.19	-45.18
CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051380	0	35	-1.0	-46.68	285.86	0.38	-46.30
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005051381	0	39	-1.0	-46.25	317.29	2.09	-44.16
COCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051382	0	39	-1.0	-48.99	319.18	0.56	-48.43
CCCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051383	0	41	-1.0	-46.11	327.96	1.96	-44.15
CC(C)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051384	0	41	-1.0	-45.83	326.36	1.98	-43.85
NC(=O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051385	0	36	-1.0	-48.80	302.15	-3.36	-52.16
C=CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051386	0	39	-1.0	-46.46	319.37	1.74	-44.72
O=C(CO)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051387	0	36	-1.0	-50.45	296.93	-1.73	-52.18
CC(O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051388	0	39	-1.0	-47.09	317.57	-0.81	-47.90
O=C(CCF)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051389	0	38	-1.0	-45.99	313.05	1.33	-44.66
C[C@@H](O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051390	0	39	-1.0	-46.86	317.33	-0.92	-47.78
C[C@H](O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051391	0	39	-1.0	-46.89	317.58	-0.81	-47.70
CC=CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051392	0	39	-1.0	-46.65	320.03	1.79	-44.86
COCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051393	0	39	-1.0	-54.89	322.43	0.87	-54.02
CCCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051394	0	41	-1.0	-51.23	331.22	2.25	-48.98
CC(C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051395	0	41	-1.0	-46.87	327.84	1.97	-44.90
CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051396	0	38	-1.0	-51.32	309.67	1.48	-49.84
CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051397	0	35	-1.0	-46.40	288.42	0.64	-45.76
O=C(NCC1CCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005051398	0	39	-1.0	-48.36	319.42	2.22	-46.14
NC(=O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051399	0	36	-1.0	-46.95	302.21	-3.42	-50.37
O=C(CO)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051400	0	36	-1.0	-56.58	300.18	-1.41	-57.99
CC(O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051401	0	39	-1.0	-49.28	315.82	-0.87	-50.15
CC(=O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051402	0	37	-1.0	-51.54	314.53	0.55	-50.99
CC=CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051403	0	39	-1.0	-51.57	322.18	2.06	-49.51
C[C@H](O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051404	0	39	-1.0	-49.35	315.81	-0.88	-50.23
C=CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051405	0	39	-1.0	-51.48	322.62	2.02	-49.46
N#CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051406	0	36	-1.0	-60.51	309.19	1.17	-59.34
O=C(CCF)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051407	0	38	-1.0	-49.74	316.25	1.62	-48.12
C[C@@H](O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051408	0	39	-1.0	-51.12	316.81	-0.89	-52.01
C=CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051409	0	36	-1.0	-51.67	300.46	1.19	-50.48
CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051410	0	38	-1.0	-51.32	309.67	1.48	-49.84
CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051411	0	35	-1.0	-46.40	288.42	0.64	-45.76
O=C(NCC1CCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005051412	0	39	-1.0	-48.36	319.42	2.22	-46.14
COCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051413	0	39	-1.0	-54.89	322.43	0.87	-54.02
CCCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051414	0	41	-1.0	-51.23	331.22	2.25	-48.98
CC(C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051415	0	41	-1.0	-46.87	327.84	1.97	-44.90
NC(=O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051416	0	36	-1.0	-46.95	302.21	-3.42	-50.37
C=CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051417	0	39	-1.0	-51.48	322.62	2.02	-49.46
O=C(CO)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051418	0	36	-1.0	-56.58	300.18	-1.41	-57.99
CC(O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051419	0	39	-1.0	-49.28	315.82	-0.87	-50.15
O=C(CCF)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051420	0	38	-1.0	-49.74	316.25	1.62	-48.12
C[C@@H](O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051421	0	39	-1.0	-51.12	316.81	-0.89	-52.01
C[C@H](O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051422	0	39	-1.0	-49.35	315.81	-0.88	-50.23
CC=CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051423	0	39	-1.0	-51.57	322.18	2.06	-49.51
COCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051424	0	39	-1.0	-48.99	319.18	0.56	-48.43
CCCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051425	0	41	-1.0	-46.11	327.96	1.96	-44.15
CC(C)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051426	0	41	-1.0	-45.83	326.36	1.98	-43.85
CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051427	0	38	-1.0	-46.37	306.46	1.19	-45.18
CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051428	0	35	-1.0	-46.68	285.86	0.38	-46.30
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005051429	0	39	-1.0	-46.25	317.29	2.09	-44.16
NC(=O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051430	0	36	-1.0	-48.80	302.15	-3.36	-52.16
O=C(CO)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051431	0	36	-1.0	-50.45	296.93	-1.73	-52.18
CC(O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051432	0	39	-1.0	-47.09	317.57	-0.81	-47.90
CC(=O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051433	0	37	-1.0	-47.21	309.06	0.46	-46.75
CC=CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051434	0	39	-1.0	-46.65	320.03	1.79	-44.86
C[C@H](O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051435	0	39	-1.0	-46.89	317.58	-0.81	-47.70
C=CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051436	0	39	-1.0	-46.46	319.37	1.74	-44.72
N#CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051437	0	36	-1.0	-53.49	305.92	0.86	-52.63
O=C(CCF)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051438	0	38	-1.0	-45.99	313.05	1.33	-44.66
C[C@@H](O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051439	0	39	-1.0	-46.86	317.33	-0.92	-47.78
C=CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051440	0	36	-1.0	-46.81	298.65	1.03	-45.78
CCC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051441	0	38	-1.0	-48.33	298.52	2.19	-46.14
CC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051442	0	35	-1.0	-48.59	278.21	1.38	-47.21
O=C(NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005051443	0	39	-1.0	-48.99	308.81	2.96	-46.03
COCC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051444	0	39	-1.0	-51.13	311.24	1.56	-49.57
CCCC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051445	0	41	-1.0	-48.27	320.02	2.95	-45.32
CC(C)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051446	0	41	-1.0	-50.31	317.90	2.70	-47.61
NC(=O)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051447	0	36	-1.0	-49.88	293.87	-2.48	-52.36
C=CCC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051448	0	39	-1.0	-48.07	311.43	2.73	-45.34
O=C(CO)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051449	0	36	-1.0	-52.37	288.99	-0.72	-53.09
CC(O)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051450	0	39	-1.0	-52.12	309.15	-0.10	-52.22
O=C(CCF)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051451	0	38	-1.0	-47.22	305.11	2.33	-44.89
C[C@@H](O)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051452	0	39	-1.0	-51.00	309.46	-0.04	-51.04
C[C@H](O)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051453	0	39	-1.0	-51.93	309.63	0.03	-51.90
CC=CC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051454	0	39	-1.0	-49.12	312.10	2.81	-46.31
COCC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051455	0	39	-1.0	-54.42	315.57	0.71	-53.71
CCCC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051456	0	41	-1.0	-50.80	324.35	2.24	-48.56
CC(C)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051457	0	41	-1.0	-51.36	318.44	2.83	-48.53
CCC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051458	0	38	-1.0	-50.91	302.85	1.48	-49.43
CC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051459	0	35	-1.0	-50.90	280.97	0.59	-50.31
O=C(NCC1CCCCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005051460	0	39	-1.0	-50.81	312.40	2.17	-48.64
NC(=O)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051461	0	36	-1.0	-47.00	293.99	-2.61	-49.61
O=C(CO)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051462	0	36	-1.0	-56.33	293.44	-1.60	-57.93
CC(O)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051463	0	39	-1.0	-52.11	308.74	-0.17	-52.28
CC(=O)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051464	0	37	-1.0	-46.67	300.78	1.35	-45.32
CC=CC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051465	0	39	-1.0	-51.44	313.95	2.97	-48.47
C[C@H](O)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051466	0	39	-1.0	-52.23	308.30	-0.14	-52.37
C=CCC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051467	0	39	-1.0	-51.08	315.76	2.01	-49.07
N#CCC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051468	0	36	-1.0	-60.94	302.43	1.15	-59.79
O=C(CCF)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051469	0	38	-1.0	-49.39	309.44	1.61	-47.78
C[C@@H](O)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051470	0	39	-1.0	-56.20	310.11	-1.11	-57.31
C=CC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051471	0	36	-1.0	-51.18	292.23	2.09	-49.09
CCC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051472	0	38	-1.0	-50.91	302.85	1.48	-49.43
CC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051473	0	35	-1.0	-50.90	280.97	0.59	-50.31
O=C(NCC1CCCCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005051474	0	39	-1.0	-50.81	312.40	2.17	-48.64
COCC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051475	0	39	-1.0	-54.42	315.57	0.71	-53.71
CCCC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051476	0	41	-1.0	-50.80	324.35	2.24	-48.56
CC(C)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051477	0	41	-1.0	-51.36	318.44	2.83	-48.53
NC(=O)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051478	0	36	-1.0	-47.00	293.99	-2.61	-49.61
C=CCC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051479	0	39	-1.0	-51.08	315.76	2.01	-49.07
O=C(CO)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051480	0	36	-1.0	-56.33	293.44	-1.60	-57.93
CC(O)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051481	0	39	-1.0	-52.11	308.74	-0.17	-52.28
O=C(CCF)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051482	0	38	-1.0	-49.39	309.44	1.61	-47.78
C[C@@H](O)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051483	0	39	-1.0	-56.20	310.11	-1.11	-57.31
C[C@H](O)C(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051484	0	39	-1.0	-52.23	308.30	-0.14	-52.37
CC=CC(=O)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005051485	0	39	-1.0	-51.44	313.95	2.97	-48.47
COCC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051486	0	39	-1.0	-51.13	311.24	1.56	-49.57
CCCC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051487	0	41	-1.0	-48.27	320.02	2.95	-45.32
CC(C)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051488	0	41	-1.0	-50.31	317.90	2.70	-47.61
CCC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051489	0	38	-1.0	-48.33	298.52	2.19	-46.14
CC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051490	0	35	-1.0	-48.59	278.21	1.38	-47.21
O=C(NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005051491	0	39	-1.0	-48.99	308.81	2.96	-46.03
NC(=O)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051492	0	36	-1.0	-49.88	293.87	-2.48	-52.36
O=C(CO)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051493	0	36	-1.0	-52.37	288.99	-0.72	-53.09
CC(O)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051494	0	39	-1.0	-52.12	309.15	-0.10	-52.22
CC(=O)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051495	0	37	-1.0	-48.51	301.26	1.34	-47.17
CC=CC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051496	0	39	-1.0	-49.12	312.10	2.81	-46.31
C[C@H](O)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051497	0	39	-1.0	-51.93	309.63	0.03	-51.90
C=CCC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051498	0	39	-1.0	-48.07	311.43	2.73	-45.34
N#CCC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051499	0	36	-1.0	-53.17	297.98	1.87	-51.30
O=C(CCF)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051500	0	38	-1.0	-47.22	305.11	2.33	-44.89
C[C@@H](O)C(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051501	0	39	-1.0	-51.00	309.46	-0.04	-51.04
C=CC(=O)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005051502	0	36	-1.0	-50.79	290.21	1.76	-49.03
CCC(=O)NC(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051503	0	41	-1.0	-46.44	318.47	1.72	-44.72
CC(=O)NC(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051504	0	38	-1.0	-46.78	303.97	1.25	-45.53
CC(NC(=O)CO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005051505	0	39	-1.0	-50.53	308.94	-1.20	-51.73
CCC(=O)N1CCCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051506	0	41	-1.0	-52.10	321.62	2.00	-50.10
CC(=O)N1CCCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051507	0	38	-1.0	-52.95	305.80	1.42	-51.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CO)C1	REAL250005051508	0	39	-1.0	-57.42	312.09	-0.89	-58.31
C=CC(=O)N1CCCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051509	0	39	-1.0	-53.03	317.89	1.94	-51.09
CCC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051510	0	33	-1.0	-48.31	282.72	0.63	-47.68
COCCC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051511	0	37	-1.0	-48.39	316.69	-0.26	-48.65
CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051512	0	30	-1.0	-48.86	262.11	-0.16	-49.02
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21)C1CC1	REAL250005051513	0	34	-1.0	-48.41	293.43	1.43	-46.98
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21)C1CCC1	REAL250005051514	0	37	-1.0	-48.31	309.64	1.93	-46.38
O=C(CC1CC1)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051515	0	37	-1.0	-48.79	313.69	2.17	-46.62
CC(C)(F)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051516	0	36	-1.0	-46.91	309.48	1.28	-45.63
COCC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051517	0	34	-1.0	-51.84	295.64	0.02	-51.82
CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051518	0	36	-1.0	-48.56	304.41	1.43	-47.13
CC(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051519	0	39	-1.0	-48.09	321.27	2.02	-46.07
CC1CC1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051520	0	37	-1.0	-48.27	314.82	2.09	-46.18
CCOCC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051521	0	37	-1.0	-51.81	317.28	0.95	-50.86
CC(C)=CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051522	0	37	-1.0	-47.63	312.23	1.94	-45.69
CSCC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051523	0	34	-1.0	-51.00	305.98	1.09	-49.91
CCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051524	0	39	-1.0	-48.62	325.91	2.21	-46.41
CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051525	0	36	-1.0	-47.99	302.57	1.29	-46.70
CCC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051526	0	39	-1.0	-48.13	320.59	1.98	-46.15
COC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051527	0	37	-1.0	-50.83	314.40	0.75	-50.08
C=CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051528	0	37	-1.0	-48.40	317.28	1.99	-46.41
CC=C(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051529	0	37	-1.0	-48.45	311.02	1.92	-46.53
CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]32)CC1	REAL250005051530	0	37	-1.0	-48.06	311.01	2.00	-46.06
C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051531	0	37	-1.0	-48.27	314.60	2.08	-46.19
CCC(F)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051532	0	36	-1.0	-48.69	310.79	1.41	-47.28
O=C(CCCF)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051533	0	36	-1.0	-51.26	311.04	1.57	-49.69
C[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051534	0	37	-1.0	-48.15	314.88	2.12	-46.03
NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051535	0	31	-1.0	-47.20	278.05	-4.03	-51.23
CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051536	0	39	-1.0	-47.56	321.14	1.86	-45.70
C=CCC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051537	0	34	-1.0	-48.80	295.62	1.18	-47.62
C[NH+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051538	0	39	0.0	-74.31	318.63	1.38	-72.93
CN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051538	1	38	-1.0	-49.02	316.21	-1.03	-50.05
C=CC(O)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051539	0	35	-1.0	-48.68	304.44	-0.83	-49.51
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21)C1COC1	REAL250005051540	0	35	-1.0	-51.77	300.16	-0.83	-52.60
CO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051541	0	37	-1.0	-50.95	315.21	0.69	-50.26
CCC=CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051542	0	37	-1.0	-48.38	317.37	2.00	-46.38
O=C(CO)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051544	0	31	-1.0	-53.35	273.51	-2.26	-55.61
CC(O)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051545	0	34	-1.0	-52.54	294.16	-1.55	-54.09
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21)C1CC1F	REAL250005051546	0	34	-1.0	-47.74	300.24	1.53	-46.21
O=C(CCF)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051547	0	33	-1.0	-48.17	289.51	0.80	-47.37
O=C(C=CCF)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051548	0	34	-1.0	-50.68	302.47	1.36	-49.32
C#CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051549	0	35	-1.0	-48.74	310.20	1.94	-46.80
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21)C1CCO1	REAL250005051550	0	35	-1.0	-52.01	301.64	0.17	-51.84
CC(C)(O)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051551	0	37	-1.0	-46.90	313.50	-1.97	-48.87
CC1=CC1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051552	0	35	-1.0	-48.67	308.51	2.09	-46.58
C[C@@H](O)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051553	0	34	-1.0	-49.21	293.49	-1.51	-50.72
O=C(C=CCO)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051554	0	35	-1.0	-51.88	307.38	-2.12	-54.00
COC(F)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051555	0	34	-1.0	-51.60	301.64	-0.49	-52.09
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21)C1=CCC1	REAL250005051556	0	35	-1.0	-48.97	303.92	2.00	-46.97
CON=CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051557	0	34	-1.0	-51.02	305.48	-0.81	-51.83
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21)C1(F)CC1	REAL250005051558	0	34	-1.0	-45.99	299.49	1.49	-44.50
CC=C(F)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051559	0	34	-1.0	-45.91	301.54	1.28	-44.63
CC(CO)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051560	0	37	-1.0	-48.30	313.06	-1.96	-50.26
C[C@H](O)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051561	0	34	-1.0	-49.06	293.49	-1.52	-50.58
C=C1CC1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051562	0	35	-1.0	-48.29	306.79	1.99	-46.30
CC(CF)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051563	0	36	-1.0	-47.27	308.61	1.42	-45.85
C=C(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051564	0	37	-1.0	-48.64	317.43	1.86	-46.78
CC=CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051565	0	34	-1.0	-48.31	296.57	1.22	-47.09
C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051566	0	37	-1.0	-48.27	314.60	2.08	-46.19
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21)[C@H](O)CF	REAL250005051567	0	34	-1.0	-50.72	300.02	-1.33	-52.05
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21)C1(O)CC1	REAL250005051568	0	35	-1.0	-48.17	301.76	-1.65	-49.82
O=C(CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051569	0	37	-1.0	-46.76	316.89	2.32	-44.44
CC(C)(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051570	0	36	-1.0	-45.37	306.47	1.17	-44.20
COCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051571	0	34	-1.0	-50.40	298.64	0.18	-50.22
CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051572	0	36	-1.0	-46.55	307.45	1.54	-45.01
CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051573	0	39	-1.0	-46.08	324.17	2.14	-43.94
CC1CC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051574	0	37	-1.0	-45.91	311.33	2.20	-43.71
CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051575	0	37	-1.0	-50.47	320.49	1.13	-49.34
CC(C)=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051576	0	37	-1.0	-46.50	314.09	2.04	-44.46
CSCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051577	0	34	-1.0	-49.40	308.98	1.22	-48.18
CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051578	0	39	-1.0	-47.17	329.19	2.36	-44.81
CC(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051579	0	36	-1.0	-47.03	301.63	1.15	-45.88
CCC(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051580	0	39	-1.0	-46.96	324.09	1.94	-45.02
COC(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051581	0	37	-1.0	-49.50	314.06	0.65	-48.85
C=CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051582	0	37	-1.0	-46.46	320.53	2.15	-44.31
CC(C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051583	0	34	-1.0	-52.38	304.86	0.92	-51.46
CC=C(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051584	0	37	-1.0	-47.50	319.65	1.87	-45.63
CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051585	0	33	-1.0	-46.77	285.95	0.78	-45.99
COCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051586	0	37	-1.0	-46.30	319.63	-0.15	-46.45
CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051587	0	30	-1.0	-47.82	264.08	-0.10	-47.92
O=C(N[C@@H]1[C@H]2CN(C(=O)C3CC3)C[C@H]21)C1=CC(=O)[N-]O1	REAL250005051588	0	34	-1.0	-46.57	296.15	1.50	-45.07
O=C(N[C@@H]1[C@H]2CN(C(=O)C3CCC3)C[C@H]21)C1=CC(=O)[N-]O1	REAL250005051589	0	37	-1.0	-47.16	312.26	2.02	-45.14
NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051590	0	31	-1.0	-45.38	278.52	-3.92	-49.30
CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051591	0	39	-1.0	-46.39	316.22	1.49	-44.90
CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051592	0	37	-1.0	-46.53	312.91	1.79	-44.74
C[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051593	0	37	-1.0	-46.51	317.74	2.22	-44.29
CCC(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051594	0	36	-1.0	-47.68	311.91	1.53	-46.15
O=C(CCCF)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051595	0	36	-1.0	-49.22	314.31	1.71	-47.51
C[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051596	0	37	-1.0	-46.58	317.11	2.21	-44.37
O=C(CO)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051597	0	31	-1.0	-51.39	276.42	-2.10	-53.49
O=C(N[C@@H]1[C@H]2CN(C(=O)C3CCO3)C[C@H]21)C1=CC(=O)[N-]O1	REAL250005051598	0	35	-1.0	-50.78	302.41	0.27	-50.51
O=C(N[C@@H]1[C@H]2CN(C(=O)C3COC3)C[C@H]21)C1=CC(=O)[N-]O1	REAL250005051599	0	35	-1.0	-48.00	303.53	-0.77	-48.77
O=C(C=CCO)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051600	0	35	-1.0	-50.55	309.43	-2.02	-52.57
CCC=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051601	0	37	-1.0	-46.58	319.63	2.12	-44.46
C#CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051602	0	35	-1.0	-46.61	313.19	2.05	-44.56
C=CC(O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051603	0	35	-1.0	-47.45	302.84	-0.80	-48.25
CC(O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051604	0	34	-1.0	-47.29	293.68	-1.54	-48.83
CC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051605	0	32	-1.0	-44.54	285.82	-0.06	-44.60
O=C(N[C@@H]1[C@H]2CN(C(=O)C3(F)CC3)C[C@H]21)C1=CC(=O)[N-]O1	REAL250005051606	0	34	-1.0	-44.60	299.20	1.50	-43.10
CC=C(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051607	0	34	-1.0	-44.52	301.14	1.31	-43.21
CC(CO)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051608	0	37	-1.0	-46.33	312.21	-2.15	-48.48
O=C(N[C@@H]1[C@H]2CN(C(=O)C3(O)CC3)C[C@H]21)C1=CC(=O)[N-]O1	REAL250005051609	0	35	-1.0	-46.12	301.61	-1.45	-47.57
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CCC3)C[C@H]21)C1=CC(=O)[N-]O1	REAL250005051610	0	35	-1.0	-47.54	302.80	1.94	-45.60
CC(CF)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051611	0	36	-1.0	-45.27	307.61	1.28	-43.99
CC=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051612	0	34	-1.0	-46.81	298.29	1.34	-45.47
O=C(C=CCF)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051613	0	34	-1.0	-48.68	304.76	1.47	-47.21
C[C@H](O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051615	0	34	-1.0	-48.01	293.68	-1.52	-49.53
CON=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051616	0	34	-1.0	-48.85	307.43	-0.68	-49.53
COC(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051617	0	34	-1.0	-49.33	302.93	-0.44	-49.77
C[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051618	0	37	-1.0	-46.51	317.74	2.22	-44.29
CC(C)(O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051619	0	37	-1.0	-45.60	312.46	-1.68	-47.28
O=C(N[C@@H]1[C@H]2CN(C(=O)[C@H](O)CF)C[C@H]21)C1=CC(=O)[N-]O1	REAL250005051620	0	34	-1.0	-47.79	299.34	-1.43	-49.22
C=C(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051621	0	37	-1.0	-46.57	320.48	1.97	-44.60
C=CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051622	0	34	-1.0	-47.54	298.83	1.31	-46.23
C[NH+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051623	0	39	0.0	-70.96	321.53	1.47	-69.49
CN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051623	1	38	-1.0	-46.92	319.38	-0.93	-47.85
N#CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051624	0	31	-1.0	-55.13	285.41	0.45	-54.68
O=C(N[C@@H]1[C@H]2CN(C(=O)C3CC3F)C[C@H]21)C1=CC(=O)[N-]O1	REAL250005051625	0	34	-1.0	-50.16	302.29	1.57	-48.59
O=C(CCF)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051626	0	33	-1.0	-45.94	292.82	0.96	-44.98
CO[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051627	0	37	-1.0	-49.29	315.00	0.69	-48.60
C[C@@H](O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051628	0	34	-1.0	-48.01	293.08	-1.55	-49.56
C=C1CC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051629	0	35	-1.0	-46.63	309.04	2.07	-44.56
CC1=CC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051630	0	35	-1.0	-47.30	311.38	2.25	-45.05
C=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051631	0	31	-1.0	-48.04	277.00	0.43	-47.61
CCC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051632	0	38	-1.0	-49.42	314.28	0.33	-49.09
CC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051633	0	35	-1.0	-48.31	289.25	-0.05	-48.36
O=C(NC1CCC(NC(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005051634	0	39	-1.0	-49.27	324.80	1.10	-48.17
COCC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051635	0	39	-1.0	-51.04	322.57	0.12	-50.92
CCCC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051636	0	41	-1.0	-47.79	331.35	1.52	-46.27
CC(C)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051637	0	41	-1.0	-47.96	329.40	1.42	-46.54
NC(=O)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051638	0	36	-1.0	-48.00	305.19	-3.90	-51.90
C=CCC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051639	0	39	-1.0	-48.22	322.76	1.29	-46.93
O=C(CO)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051640	0	36	-1.0	-52.54	300.31	-2.16	-54.70
CC(O)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051641	0	39	-1.0	-49.93	325.08	-1.80	-51.73
O=C(CCF)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051642	0	38	-1.0	-47.38	316.44	0.89	-46.49
C[C@@H](O)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051643	0	39	-1.0	-48.91	320.65	-1.38	-50.29
C[C@H](O)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051644	0	39	-1.0	-48.93	320.65	-1.38	-50.31
CC=CC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051645	0	39	-1.0	-48.20	323.42	1.38	-46.82
COCC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051646	0	39	-1.0	-51.04	322.57	0.12	-50.92
CCCC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051647	0	41	-1.0	-47.79	331.35	1.52	-46.27
CC(C)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051648	0	41	-1.0	-47.96	329.40	1.42	-46.54
CCC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051649	0	38	-1.0	-49.42	314.28	0.33	-49.09
CC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051650	0	35	-1.0	-48.31	289.25	-0.05	-48.36
O=C(NC1CCC(NC(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005051651	0	39	-1.0	-49.27	324.80	1.10	-48.17
NC(=O)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051652	0	36	-1.0	-48.00	305.19	-3.90	-51.90
O=C(CO)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051653	0	36	-1.0	-52.54	300.31	-2.16	-54.70
CC(O)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051654	0	39	-1.0	-49.93	325.08	-1.80	-51.73
CC(=O)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051655	0	37	-1.0	-46.70	316.02	-0.53	-47.23
CC=CC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051656	0	39	-1.0	-48.20	323.42	1.38	-46.82
C[C@H](O)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051657	0	39	-1.0	-48.93	320.65	-1.38	-50.31
C=CCC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051658	0	39	-1.0	-48.22	322.76	1.29	-46.93
N#CCC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051659	0	36	-1.0	-56.07	309.31	0.43	-55.64
O=C(CCF)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051660	0	38	-1.0	-47.38	316.44	0.89	-46.49
C[C@@H](O)C(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051661	0	39	-1.0	-48.91	320.65	-1.38	-50.29
C=CC(=O)NC1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051662	0	36	-1.0	-48.39	301.69	0.49	-47.90
COCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051663	0	35	-1.0	-44.74	306.38	-2.17	-46.91
CC(CNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051664	0	32	-1.0	-44.24	283.22	-0.47	-44.71
CC(CNC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051665	0	35	-1.0	-43.85	299.44	0.03	-43.82
CC(CNC(=O)C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051666	0	38	-1.0	-43.65	315.74	0.63	-43.02
CC(CNC(=O)C1CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051667	0	39	-1.0	-44.84	325.01	-1.12	-45.96
CC(CNC(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051668	0	35	-1.0	-44.16	303.64	0.29	-43.87
CC(CNC(=O)C(C)(C)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005051669	0	34	-1.0	-43.56	298.38	-0.54	-44.10
CC(CNC(=O)C(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005051670	0	31	-1.0	-44.24	284.56	-1.06	-45.30
COCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051671	0	32	-1.0	-46.85	285.43	-1.88	-48.73
CC(CNC(=O)C1=CC=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051672	0	34	-1.0	-47.25	305.31	-0.65	-47.90
CC(CNC(=O)C1=CC=NC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051673	0	34	-1.0	-45.29	303.28	-0.71	-46.00
CCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051674	0	34	-1.0	-44.06	294.21	-0.48	-44.54
CC(CNC(=O)C1=CC=CN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051675	0	34	-1.0	-46.99	303.08	-0.72	-47.71
CC(CNC(=O)C1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051676	0	32	-1.0	-46.01	292.33	-0.94	-46.95
CC(=O)NCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051677	0	35	-1.0	-48.46	311.08	-3.56	-52.02
CC(CNC(=O)C1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051678	0	35	-1.0	-45.15	308.10	1.05	-44.10
CC(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051679	0	37	-1.0	-43.67	310.93	0.11	-43.56
CC(CNC(=O)C1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051680	0	41	-1.0	-43.50	333.88	1.30	-42.20
CC(CNC(=O)C1=CN=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051681	0	33	-1.0	-46.49	300.10	-2.54	-49.03
CC(CNC(=O)CC1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051682	0	41	-1.0	-43.74	335.91	1.36	-42.38
CC(CNC(=O)C1=CC=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051683	0	32	-1.0	-44.70	300.24	0.05	-44.65
CC(CNC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051684	0	35	-1.0	-44.14	304.60	0.20	-43.94
CCOCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051685	0	35	-1.0	-46.76	307.28	-0.92	-47.68
CC(C)=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051686	0	35	-1.0	-44.03	302.13	0.06	-43.97
CC(CNC(=O)C1=COCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051687	0	35	-1.0	-48.52	306.26	-1.30	-49.82
CC(=O)NC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051688	0	38	-1.0	-47.74	330.93	-2.73	-50.47
CC1=CC=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL250005051689	0	35	-1.0	-45.90	314.24	-0.13	-46.03
CC(CNC(=O)C1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051690	0	36	-1.0	-46.39	308.72	-0.67	-47.06
CSCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051691	0	32	-1.0	-45.95	295.77	-0.82	-46.77
CC1=CC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005051692	0	34	-1.0	-47.75	308.74	-0.87	-48.62
CSCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051693	0	35	-1.0	-44.49	317.44	0.00	-44.49
CC(C)CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051694	0	40	-1.0	-43.86	333.27	0.81	-43.05
CC(CNC(=O)C1=CSC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051695	0	32	-1.0	-44.85	299.43	-0.04	-44.89
CC1=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005051696	0	35	-1.0	-45.26	309.77	-0.17	-45.43
CC(CNC(=O)CC1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051697	0	39	-1.0	-44.19	328.07	1.28	-42.91
CC(CNC(=O)CN1C=NN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051698	0	33	-1.0	-55.41	301.51	-1.69	-57.10
CC(CNC(=O)C1=CN(C)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051699	0	35	-1.0	-48.58	313.14	-1.20	-49.78
CC(CNC(=O)C1CC=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051700	0	39	-1.0	-43.71	326.15	1.20	-42.51
CC1=NOC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005051701	0	34	-1.0	-46.85	308.77	-0.92	-47.77
CC(CNC(=O)C1=CC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051702	0	33	-1.0	-45.75	295.21	-1.15	-46.90
CC(=O)CCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051703	0	39	-1.0	-50.84	338.91	0.22	-50.62
CC(CNC(=O)C1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051704	0	32	-1.0	-46.86	291.49	-0.98	-47.84
CC(CNC(=O)CN1C=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051705	0	35	-1.0	-51.30	312.93	-0.84	-52.14
CC1=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005051706	0	35	-1.0	-46.00	310.21	-0.26	-46.26
CCCCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051707	0	40	-1.0	-43.97	337.20	1.08	-42.89
CC(CNC(=O)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051708	0	40	-1.0	-43.05	325.90	0.64	-42.41
CC(CNC(=O)C1=CC=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051709	0	36	-1.0	-46.48	313.59	0.47	-46.01
CCCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051710	0	37	-1.0	-44.06	315.70	0.30	-43.76
CC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051711	0	34	-1.0	-43.81	292.25	-0.59	-44.40
CCC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051712	0	37	-1.0	-43.76	310.39	0.06	-43.70
CC(=O)N(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051713	0	38	-1.0	-52.88	330.29	-1.19	-54.07
CCC(CC)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051714	0	40	-1.0	-43.64	326.23	0.54	-43.10
CC(C)OCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051715	0	41	-1.0	-44.71	348.51	-0.46	-45.17
CC(CNC(=O)C1COCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051716	0	37	-1.0	-47.23	317.67	-1.87	-49.10
CC(CNC(=O)C1=CC=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051717	0	32	-1.0	-45.88	289.92	-2.47	-48.35
CSC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051718	0	35	-1.0	-45.81	314.32	-0.25	-46.06
CCOC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051719	0	38	-1.0	-46.29	327.07	-0.23	-46.52
CCOCCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051720	0	41	-1.0	-46.03	349.73	-0.44	-46.47
CC(CNC(=O)COCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051721	0	39	-1.0	-46.88	338.96	0.66	-46.22
CC(CNC(=O)CC1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051722	0	39	-1.0	-46.73	328.81	-0.22	-46.95
CC(CNC(=O)C1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051723	0	32	-1.0	-47.60	290.20	-2.52	-50.12
COCCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051724	0	38	-1.0	-46.02	327.88	-1.41	-47.43
CCOC1CC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051725	0	39	-1.0	-44.87	338.79	-0.58	-45.45
CC(CNC(=O)C1=NSN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051726	0	30	-1.0	-44.73	289.05	-2.99	-47.72
CC(CNC(=O)C1=CN=NS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051727	0	30	-1.0	-45.11	290.38	-2.34	-47.45
CC(CNC(=O)C1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051728	0	31	-1.0	-48.42	286.80	-1.70	-50.12
CC(=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005051729	0	39	-1.0	-43.83	330.29	1.50	-42.33
CC1=NNC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005051730	0	35	-1.0	-46.12	311.86	-1.90	-48.02
CC(CNC(=O)C1=CN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051731	0	31	-1.0	-45.05	295.26	-1.80	-46.85
CCC=C(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051732	0	38	-1.0	-44.19	321.41	0.80	-43.39
CC1=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005051733	0	34	-1.0	-47.48	305.10	-3.53	-51.01
CCOC(CC)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051734	0	41	-1.0	-45.29	347.54	0.65	-44.64
CC(CNC(=O)CC(F)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005051735	0	31	-1.0	-46.50	290.12	-0.82	-47.32
COC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051736	0	35	-1.0	-46.24	305.22	-1.19	-47.43
CC(C)OCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051737	0	38	-1.0	-46.62	327.56	-0.19	-46.81
CCCOCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051738	0	38	-1.0	-46.59	328.78	-0.12	-46.71
CC(CNC(=O)C1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051739	0	36	-1.0	-45.16	306.61	-1.90	-47.06
CC(CNC(=O)C1=CC=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051740	0	35	-1.0	-45.77	308.56	-1.22	-46.99
CCC(OC)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051741	0	38	-1.0	-45.07	326.43	-0.37	-45.44
COCCCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051742	0	41	-1.0	-45.20	349.38	-0.63	-45.83
CCCC(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051743	0	43	-1.0	-43.61	350.66	1.53	-42.08
COC(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051744	0	38	-1.0	-45.67	325.52	-0.64	-46.31
C=CCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051745	0	35	-1.0	-44.03	307.02	0.08	-43.95
CC(CNC(=O)C1=COCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051746	0	37	-1.0	-44.33	314.29	-0.65	-44.98
CC(CNC(=O)C1CCCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051747	0	39	-1.0	-44.73	324.94	-1.09	-45.82
CCOCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051748	0	38	-1.0	-44.71	328.23	-1.20	-45.91
CC(CNC(=O)C1=CSC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051749	0	31	-1.0	-47.15	295.34	-1.96	-49.11
COCC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051750	0	38	-1.0	-44.28	325.10	-1.47	-45.75
C=CCOCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051751	0	36	-1.0	-46.89	320.19	-0.35	-47.24
CC(CNC(=O)C1=COC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051752	0	31	-1.0	-47.71	287.11	-4.35	-52.06
CC(CNC(=O)[C@H]1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051753	0	36	-1.0	-49.94	315.01	-3.37	-53.31
CC1=NC=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005051754	0	35	-1.0	-46.19	312.02	-1.56	-47.75
CC(CNC(=O)C1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051755	0	41	0.0	-61.87	328.33	0.01	-61.86
CC(CNC(=O)C1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051755	1	41	0.0	-59.57	334.62	0.52	-59.05
CC(CNC(=O)C1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051755	1	40	-1.0	-45.22	333.52	-1.80	-47.02
CCC(=O)NCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051756	0	38	-1.0	-48.22	331.68	-2.75	-50.97
CC(CNC(=O)C=CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051757	0	41	-1.0	-44.12	344.20	1.15	-42.97
CCCC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051758	0	40	-1.0	-43.71	331.88	0.81	-42.90
CC(CNC(=O)CCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051759	0	38	-1.0	-44.05	325.82	1.09	-42.96
CCCCOCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051760	0	41	-1.0	-46.49	350.28	0.66	-45.83
CC(CNC(=O)CC1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051761	0	34	-1.0	-50.99	306.93	-0.91	-51.90
CC(CNC(=O)CC1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051762	0	39	-1.0	-45.70	326.92	-1.20	-46.90
CC(CNC(=O)C1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051763	0	36	-1.0	-43.84	308.24	0.52	-43.32
CC(CNC(=O)CC1=NNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051764	0	35	-1.0	-50.05	311.79	-1.81	-51.86
CC(CNC(=O)CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051765	0	38	-1.0	-43.98	320.62	0.81	-43.17
CC1=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005051766	0	34	-1.0	-46.45	305.08	-3.63	-50.08
CC(CNC(=O)C(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051767	0	38	-1.0	-43.93	321.56	0.86	-43.07
CC(CNC(=O)C1C2CCCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005051768	0	39	-1.0	-43.96	321.22	1.56	-42.40
CC(CNC(=O)CCC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051769	0	41	-1.0	-43.94	342.44	1.60	-42.34
CC=C(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051770	0	35	-1.0	-44.38	301.02	0.03	-44.35
CC(CNC(=O)C1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051771	0	38	-1.0	-43.94	319.86	0.66	-43.28
CC(CNC(=O)C=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051772	0	36	-1.0	-44.82	311.87	0.74	-44.08
CCC(=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)CC	REAL250005051773	0	41	-1.0	-43.41	342.47	1.54	-41.87
CC(C)=C(F)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051774	0	35	-1.0	-44.36	306.54	0.11	-44.25
CC(CNC(=O)C1=CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051775	0	36	-1.0	-44.39	309.29	0.62	-43.77
CC(CNC(=O)C1=CN(C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051776	0	36	-1.0	-47.53	318.13	0.65	-46.88
CC(CNC(=O)C1=CN(C)C=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051777	0	35	-1.0	-50.38	313.66	0.27	-50.11
CC(CNC(=O)C1CCCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051778	0	39	-1.0	-46.10	326.65	0.11	-45.99
CC(CNC(=O)C1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051779	0	38	-1.0	-43.63	319.83	0.75	-42.88
CCC(C)OCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051780	0	41	-1.0	-46.33	348.32	0.61	-45.72
CC(CNC(=O)[C@H]1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051781	0	38	-1.0	-43.56	319.83	0.75	-42.81
CC(CNC(=O)[C@@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051782	0	36	-1.0	-46.07	308.84	-0.66	-46.73
C#CCCCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051783	0	39	-1.0	-45.34	342.98	1.60	-43.74
CCNC(=O)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051784	0	38	-1.0	-52.88	330.28	-1.35	-54.23
COC(C)CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051785	0	41	-1.0	-45.22	347.42	-0.63	-45.85
CC(CNC(=O)C1=CN=CN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051786	0	33	-1.0	-45.77	298.03	-0.90	-46.67
CC(CNC(=O)C1=CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051787	0	37	-1.0	-45.38	315.43	-1.13	-46.51
CC(CNC(=O)CC1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051788	0	35	-1.0	-47.03	313.46	-0.30	-47.33
CC1=NC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005051789	0	34	-1.0	-47.14	309.10	-3.61	-50.75
CC(CNC(=O)[C@H](C)NC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005051790	0	37	-1.0	-48.41	323.87	-5.52	-53.93
CC1=CC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005051791	0	35	-1.0	-46.75	313.39	-0.15	-46.90
CCC(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051792	0	40	-1.0	-43.65	329.16	0.77	-42.88
C#CCCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051793	0	36	-1.0	-46.29	321.49	0.82	-45.47
CC(CNC(=O)CC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005051794	0	38	-1.0	-43.56	317.17	-1.81	-45.37
COC(C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005051795	0	39	-1.0	-44.90	334.45	0.61	-44.29
CC(CNC(=O)C1=CN=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051796	0	34	-1.0	-47.60	303.31	-2.61	-50.21
CCCCC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051797	0	43	-1.0	-43.62	353.38	1.59	-42.03
CC(CNC(=O)C1CC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051798	0	41	-1.0	-43.54	333.45	1.03	-42.51
CC(C)[C@@H](O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051799	0	38	-1.0	-44.65	318.72	-2.78	-47.43
CC(CNC(=O)C1=CN(C)N=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051800	0	34	-1.0	-51.49	309.16	-2.64	-54.13
CC(CNC(=O)C1=NN(C)C=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051801	0	34	-1.0	-52.57	308.60	-0.53	-53.10
CC(CNC(=O)C1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005051802	0	32	-1.0	-46.66	296.22	-0.32	-46.98
CCC(C)=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051803	0	38	-1.0	-43.74	323.86	0.81	-42.93
CC(C)C#CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051804	0	36	-1.0	-45.79	322.10	0.77	-45.02
CC(CNC(=O)CC1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051805	0	39	-1.0	-44.11	327.41	-1.09	-45.20
CC1=CNN=C1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051806	0	35	-1.0	-48.56	309.36	-1.81	-50.37
CC(C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005051807	0	39	-1.0	-44.70	329.58	1.50	-43.20
CC(CNC(=O)C#CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051808	0	34	-1.0	-46.16	311.78	0.93	-45.23
CC(CNC(=O)C#CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051809	0	39	-1.0	-45.74	342.24	1.31	-44.43
CC(CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)C1=CC(=O)[N-]O1	REAL250005051810	0	34	-1.0	-46.05	312.18	-0.12	-46.17
CC(CNC(=O)CCNC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005051811	0	37	-1.0	-52.75	326.44	-5.72	-58.47
CC(CNC(=O)C1CCC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051812	0	41	-1.0	-43.62	336.38	1.24	-42.38
C#CCOCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051813	0	37	-1.0	-46.34	334.02	-0.66	-47.00
C#CCOC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051814	0	37	-1.0	-48.63	332.85	0.31	-48.32
C=CCC(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051815	0	41	-1.0	-43.38	340.30	1.07	-42.31
CC(CNC(=O)C1CC12CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005051816	0	39	-1.0	-44.05	330.54	1.45	-42.60
CC(CNC(=O)CC(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051817	0	38	-1.0	-53.08	327.21	-0.24	-53.32
CC(CNC(=O)C1=NN(C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051818	0	35	-1.0	-49.43	313.72	-1.16	-50.59
COCCC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051819	0	41	-1.0	-45.51	344.06	-0.89	-46.40
CC(CNC(=O)CN1N=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051820	0	33	-1.0	-51.19	303.04	-2.09	-53.28
CCCC[C@@H](C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051821	0	43	-1.0	-43.52	353.38	1.58	-41.94
CCC(C)(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051822	0	43	-1.0	-43.02	340.13	1.12	-41.90
CC(C)C(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051823	0	43	-1.0	-43.19	337.89	0.91	-42.28
C=CC(C)(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051824	0	41	-1.0	-42.93	334.56	1.03	-41.90
CC(CNC(=O)CN1N=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051825	0	34	-1.0	-50.76	308.33	-2.47	-53.23
CC(CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051826	0	39	-1.0	-43.98	336.79	1.77	-42.21
CCC(C)(CC)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051827	0	43	-1.0	-43.46	341.30	0.95	-42.51
C=C(C)CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051828	0	38	-1.0	-43.80	328.66	0.76	-43.04
CC(CNC(=O)C1=CC=NS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051829	0	31	-1.0	-45.73	295.32	-1.31	-47.04
CC(CNC(=O)[C@]12C[C@H]1COC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005051830	0	37	-1.0	-45.29	319.16	-1.28	-46.57
CC(CNC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051831	0	35	-1.0	-43.97	300.98	0.11	-43.86
CNC(=O)NCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051832	0	37	-1.0	-49.52	326.24	-4.91	-54.43
CC(CNC(=O)[C@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051833	0	36	-1.0	-47.05	309.12	-0.66	-47.71
CC(CNC(=O)CC(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051834	0	41	-1.0	-43.48	340.59	1.57	-41.91
CC(CNC(=O)C(C)(C)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005051835	0	38	-1.0	-52.12	322.73	-2.43	-54.55
CC(CNC(=O)C1(C2CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051836	0	39	-1.0	-43.49	324.90	1.72	-41.77
COC1CC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051837	0	39	-1.0	-45.67	332.88	-1.01	-46.68
C=CCCOCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051838	0	39	-1.0	-46.47	341.59	0.44	-46.03
C=CCOC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051839	0	39	-1.0	-46.46	339.97	0.34	-46.12
CC(CNC(=O)C1=NSC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051840	0	31	-1.0	-46.49	294.58	-1.47	-47.96
CC(CNC(=O)C(C)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051841	0	41	-1.0	-43.40	338.56	1.40	-42.00
CC(CNC(=O)C1COC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051842	0	39	-1.0	-45.10	327.85	-1.12	-46.22
CC(CNC(=O)CCCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005051843	0	38	-1.0	-52.98	331.89	-3.63	-56.61
CC(CNC(=O)C1(F)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051844	0	38	-1.0	-43.39	321.91	0.62	-42.77
CC(CNC(=O)C1=CN=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051845	0	35	-1.0	-48.73	308.27	0.18	-48.55
CC(CNC(=O)C(C)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051846	0	43	-1.0	-42.84	338.19	1.00	-41.84
CC(CNC(=O)C1=NNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051847	0	31	-1.0	-45.71	285.62	-3.92	-49.63
CC(CNC(=O)C1=CN=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051847	1	31	-1.0	-46.26	284.72	-3.85	-50.11
CC1=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005051848	0	35	-1.0	-46.75	308.02	-0.79	-47.54
COCC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051849	0	39	-1.0	-46.06	339.15	-0.93	-46.99
COCC(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051850	0	41	-1.0	-43.82	342.75	-0.83	-44.65
CC(CNC(=O)C1=NN(C)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051851	0	34	-1.0	-46.67	308.67	-2.81	-49.48
CC(CNC(=O)CCC(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005051852	0	34	-1.0	-46.50	306.87	-0.21	-46.71
CC(CNC(=O)CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051853	0	38	-1.0	-43.78	323.64	0.77	-43.01
CC(CNC(=O)C1(CCF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051854	0	38	-1.0	-44.19	332.45	0.87	-43.32
CCC(C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005051855	0	43	0.0	-60.83	338.95	0.47	-60.36
CC(CNC(=O)C1=CSN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051856	0	30	-1.0	-48.54	290.08	-2.58	-51.12
CC(CNC(=O)C1(C)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051857	0	41	-1.0	-43.53	334.05	1.16	-42.37
CC(CNC(=O)C1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051858	0	31	-1.0	-46.46	287.11	-4.25	-50.71
CC(CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051859	0	36	-1.0	-50.31	315.07	-3.37	-53.68
CCC[N@H+](C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051860	0	43	0.0	-62.25	347.52	0.87	-61.38
CCC[N@@H+](C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051860	1	43	0.0	-62.23	347.52	0.88	-61.35
CC1=NNC=C1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051861	0	35	-1.0	-46.74	308.30	-1.91	-48.65
CC1=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005051862	0	34	-1.0	-46.16	302.98	-3.24	-49.40
CC1=NNN=C1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051862	1	34	-1.0	-45.64	304.21	-3.32	-48.96
CCCC(OC)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051863	0	41	-1.0	-44.96	347.91	0.42	-44.54
C=C(C)C(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051864	0	41	-1.0	-43.48	335.98	0.92	-42.56
CC(CNC(=O)C(C)CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005051865	0	38	-1.0	-48.16	325.73	-3.82	-51.98
CC(CNC(=O)C1CCNC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005051866	0	36	-1.0	-50.62	313.26	-3.66	-54.28
C=CC(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051867	0	38	-1.0	-43.72	319.90	0.37	-43.35
CC(CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051868	0	41	0.0	-59.89	333.40	0.53	-59.36
CC(CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051868	1	41	0.0	-61.84	328.26	0.01	-61.83
CC(CNC(=O)[C@H]1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051868	1	40	-1.0	-44.89	333.70	-1.74	-46.63
CC(CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051869	0	35	-1.0	-44.17	304.61	0.20	-43.97
CC(CNC(=O)C1(C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051870	0	38	-1.0	-43.71	316.63	0.54	-43.17
CC(CNC(=O)C1CC(C)CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051871	0	39	-1.0	-46.20	329.51	-0.09	-46.29
CC(CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005051872	0	39	-1.0	-44.09	327.81	1.34	-42.75
CC[NH+](CC)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051873	0	43	0.0	-60.31	344.39	0.84	-59.47
CCC(F)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051874	0	34	-1.0	-45.29	300.48	-0.44	-45.73
CC(CNC(=O)CCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005051875	0	34	-1.0	-45.94	300.80	-0.34	-46.28
CC1=COC=C1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051876	0	35	-1.0	-46.64	310.34	-0.29	-46.93
CC(CNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051877	0	35	-1.0	-44.17	304.60	0.19	-43.98
CC(CNC(=O)C1(C)C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051878	0	39	-1.0	-43.90	326.98	1.06	-42.84
CC(CNC(=O)C1=NN(C)N=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051879	0	33	-1.0	-50.26	303.56	-3.25	-53.51
CC(C)C(F)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051880	0	37	-1.0	-44.77	314.99	0.15	-44.62
C=CC(C)C(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051881	0	41	-1.0	-43.14	340.77	1.19	-41.95
CCC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005051882	0	41	-1.0	-43.46	336.67	1.03	-42.43
CC#CCCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051883	0	39	-1.0	-47.02	343.31	1.78	-45.24
CC(CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)C1=CC(=O)[N-]O1	REAL250005051884	0	37	-1.0	-44.73	319.09	-1.15	-45.88
CC(CNC(=O)CCCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051885	0	41	-1.0	-44.16	347.32	1.87	-42.29
CC(CNC(=O)C1CCC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051886	0	41	-1.0	-43.33	335.02	1.10	-42.23
CC1=COC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005051887	0	35	-1.0	-45.87	314.22	-0.25	-46.12
C=CC(CC)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051888	0	41	-1.0	-43.58	344.25	1.34	-42.24
CC(CNC(=O)C(C)(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051889	0	41	-1.0	-43.71	334.28	1.21	-42.50
CC(CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051890	0	39	-1.0	-43.74	327.02	1.37	-42.37
CC(CNC(=O)CC1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051891	0	34	-1.0	-48.55	307.70	-0.86	-49.41
CC(CNC(=O)CCC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051892	0	43	-1.0	-43.74	349.44	1.21	-42.53
CC(CNC(=O)C1=CC=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051893	0	33	-1.0	-46.38	300.35	-0.86	-47.24
CC(CNC(=O)CC1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051894	0	35	-1.0	-47.71	313.48	-0.12	-47.83
CC(CNC(=O)C1=NC=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051895	0	33	-1.0	-50.13	300.92	-1.47	-51.60
CCC(C)CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051896	0	43	-1.0	-43.82	351.50	1.46	-42.36
CC(CNC(=O)C1=CC=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051897	0	33	-1.0	-50.40	300.37	-1.81	-52.21
CC(CNC(=O)C1CCOC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051898	0	39	-1.0	-45.57	323.27	-1.17	-46.74
CC(CNC(=O)C1(C)CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051899	0	39	-1.0	-44.02	325.19	-1.44	-45.46
CCC(CC)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051900	0	43	-1.0	-43.47	347.19	1.38	-42.09
CCC(C)C(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051901	0	43	-1.0	-43.26	344.30	1.25	-42.01
CCCC(CC)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051902	0	43	-1.0	-43.28	348.46	1.28	-42.00
CC(CNC(=O)C1CCC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051903	0	38	-1.0	-44.61	323.11	0.70	-43.91
C=CCCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051904	0	38	-1.0	-44.30	328.52	0.87	-43.43
CCC(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051905	0	40	-1.0	-43.60	325.37	0.47	-43.13
CCCC(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051906	0	43	-1.0	-43.51	346.87	1.24	-42.27
CC(CNC(=O)C1(C(N)=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051907	0	36	-1.0	-49.09	320.28	-3.96	-53.05
CC(CNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005051908	0	29	-1.0	-47.20	268.05	-5.93	-53.13
CC1=NOC=C1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051909	0	34	-1.0	-46.19	305.53	-0.90	-47.09
CCC1(C)CC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051910	0	41	-1.0	-43.44	336.89	1.39	-42.05
COCC(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051911	0	41	-1.0	-45.42	343.87	-0.78	-46.20
CC(CNC(=O)CCC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051912	0	41	-1.0	-43.85	342.17	1.44	-42.41
CC1=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005051913	0	34	-1.0	-46.63	305.32	-0.83	-47.46
CC(CNC(=O)C1(C)CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051914	0	39	-1.0	-43.91	326.66	1.06	-42.85
COC(C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005051915	0	41	-1.0	-45.31	340.91	0.13	-45.18
CC(CNC(=O)CC1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051916	0	38	-1.0	-44.17	325.02	0.97	-43.20
C=CC(C)(CC)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051917	0	41	-1.0	-43.24	330.61	1.50	-41.74
CC(CNC(=O)C[C@H]1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051918	0	39	-1.0	-45.53	326.91	-1.20	-46.73
CCC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051919	0	38	-1.0	-43.79	325.44	0.72	-43.07
CC(CNC(=O)CC(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005051920	0	34	-1.0	-48.31	304.61	-0.28	-48.59
CCCC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051921	0	41	-1.0	-43.85	346.38	1.49	-42.36
CCC[C@@H]1C[C@H]1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051922	0	41	-1.0	-43.87	347.50	1.73	-42.14
CC(C)C1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051923	0	41	-1.0	-43.67	338.75	1.10	-42.57
C=C1CC(C)(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051924	0	39	-1.0	-43.58	330.70	1.08	-42.50
CC(CNC(=O)C1(CF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051925	0	35	-1.0	-43.82	305.69	0.21	-43.61
CC(CNC(=O)C1CC2(CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051926	0	39	-1.0	-43.66	331.80	1.41	-42.25
CC(CNC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051927	0	37	-1.0	-43.58	311.14	-0.03	-43.61
CCCCCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051928	0	43	-1.0	-43.92	358.70	1.87	-42.05
CC[N@H+](C)CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051929	0	43	0.0	-63.63	348.39	0.69	-62.94
CC[N@@H+](C)CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051929	1	43	0.0	-63.54	348.39	0.68	-62.86
CC1=CON=C1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051930	0	34	-1.0	-48.32	305.63	-1.03	-49.35
CC(CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005051931	0	36	-1.0	-50.97	320.57	-3.89	-54.86
CC[C@@H](C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005051932	0	43	0.0	-59.73	338.94	0.46	-59.27
CC(CNC(=O)C1(CF)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051933	0	38	-1.0	-43.91	320.00	0.62	-43.29
CC(CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051934	0	34	-1.0	-51.89	307.68	0.60	-51.29
CC(CNC(=O)CC1=NNC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051935	0	34	-1.0	-52.12	307.33	-1.40	-53.52
CC(CNC(=O)CC1=NN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051935	1	34	-1.0	-56.28	305.94	-0.87	-57.15
CC(C)C(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051936	0	40	-1.0	-43.23	326.28	0.61	-42.62
CC[C@@H]1C[C@H]1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051937	0	38	-1.0	-44.08	326.01	0.96	-43.12
CC(C)CCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051938	0	43	-1.0	-43.91	354.77	1.59	-42.32
CC(CNC(=O)C1CC12CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005051939	0	36	-1.0	-44.39	315.67	1.00	-43.39
CC(CNC(=O)CC1=CNC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051940	0	35	-1.0	-50.99	311.24	-0.60	-51.59
CC(CNC(=O)CC1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051940	1	35	-1.0	-49.59	312.10	-0.79	-50.38
CC(CNC(=O)[C@@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051941	0	33	-1.0	-50.59	297.16	-4.90	-55.49
CC(CNC(=O)C1=CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051942	0	39	-1.0	-44.22	324.11	1.28	-42.94
CC(=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005051943	0	41	-1.0	-43.68	340.68	1.31	-42.37
CC(CNC(=O)[C@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051944	0	33	-1.0	-49.86	297.65	-4.57	-54.43
CC(CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051945	0	34	-1.0	-51.89	307.68	0.60	-51.29
COC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005051946	0	36	-1.0	-44.63	313.84	-1.42	-46.05
CC(CNC(=O)C1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051947	0	33	-1.0	-44.59	299.31	-0.33	-44.92
CC(CNC(=O)C1(O)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051948	0	39	-1.0	-44.07	324.00	-2.42	-46.49
C=CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051949	0	32	-1.0	-44.35	285.62	-0.70	-45.05
CC(CNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051950	0	37	0.0	-62.91	308.29	-0.53	-63.44
CC(CNC(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051950	1	36	-1.0	-44.58	306.21	-2.91	-47.49
C=CC(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051951	0	33	-1.0	-44.96	294.06	-2.65	-47.61
CC(CNC(=O)CCCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005051952	0	36	-1.0	-46.00	324.33	-3.82	-49.82
CC(CNC(=O)C1OCC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051953	0	39	-1.0	-45.91	329.58	-0.42	-46.33
CC(CNC(=O)C(C)N1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051954	0	40	-1.0	-44.62	332.30	-2.61	-47.23
CC(CNC(=O)C(C)[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051954	1	41	0.0	-60.64	338.30	0.40	-60.24
CC(CNC(=O)[C@H]1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005051955	0	32	-1.0	-45.30	296.23	-0.31	-45.61
CC(CNC(=O)CC1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051956	0	35	-1.0	-48.15	312.57	-1.78	-49.93
CC(C)NC(=O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051957	0	38	-1.0	-47.20	332.10	-2.77	-49.97
CC1=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005051958	0	37	-1.0	-44.22	316.31	-0.60	-44.82
CC(CNC(=O)C=C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051959	0	39	-1.0	-44.35	328.13	1.36	-42.99
CC(CNC(=O)C[N@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051960	0	41	0.0	-59.85	337.56	0.88	-58.97
CC(CNC(=O)C[N@@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051960	1	41	0.0	-59.69	337.56	0.88	-58.81
CC(CNC(=O)CN(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051960	1	40	-1.0	-44.55	331.58	-1.52	-46.07
CC(CNC(=O)C1(CO)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051961	0	37	-1.0	-47.85	316.28	-4.85	-52.70
CC(C)=CCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051962	0	41	-1.0	-43.97	345.99	1.50	-42.47
CC(CNC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051963	0	33	-1.0	-44.79	290.06	-2.75	-47.54
CC(CNC(=O)C1CCC(C)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051964	0	39	-1.0	-46.15	330.05	0.11	-46.04
CC(CNC(=O)CC1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051965	0	39	-1.0	-45.23	334.16	-2.57	-47.80
CC(CNC(=O)CC1C[NH+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051966	0	41	0.0	-64.77	339.74	0.30	-64.47
CC(CNC(=O)C1CC(C)(O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051967	0	39	-1.0	-46.33	330.35	-2.79	-49.12
CO[C@H](C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051968	0	35	-1.0	-46.35	305.22	-1.19	-47.54
CC1=NNC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005051969	0	34	-1.0	-46.14	307.72	-1.95	-48.09
CC1=NN=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005051969	1	34	-1.0	-51.09	307.92	-1.69	-52.78
CC(CNC(=O)C1=COC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051970	0	32	-1.0	-49.08	295.85	-3.88	-52.96
CC(CNC(=O)C1=COC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051970	1	31	-2.0	-94.33	293.72	-5.55	-99.88
CC=CC(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051971	0	36	-1.0	-44.85	315.77	-1.79	-46.64
CCCC[C@H](C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051972	0	43	-1.0	-43.48	353.38	1.59	-41.89
CC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051973	0	40	0.0	-60.38	326.40	-0.13	-60.51
CC(CNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051973	1	39	-1.0	-44.11	320.37	-2.54	-46.65
CCC=C(F)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051974	0	35	-1.0	-44.22	311.55	0.16	-44.06
CCC=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051975	0	35	-1.0	-44.34	307.37	0.12	-44.22
CC(CNC(=O)C1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051977	0	36	-1.0	-49.91	315.01	-3.36	-53.27
CC(CNC(=O)C(C)(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005051978	0	38	-1.0	-44.57	320.49	-3.23	-47.80
CC(CNC(=O)C1=NC=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051979	0	35	-1.0	-49.22	309.43	-0.47	-49.69
CC(CNC(=O)CC(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051980	0	39	-1.0	-46.26	335.66	-1.37	-47.63
CC(=CC1CC1)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051981	0	39	-1.0	-44.13	331.94	1.56	-42.57
CC(CNC(=O)C1CCC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051982	0	37	-1.0	-45.86	318.20	0.39	-45.47
CC(CNC(=O)CC1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051983	0	36	-1.0	-46.22	320.40	0.44	-45.78
CC(CNC(=O)C1(F)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051984	0	35	-1.0	-44.64	305.81	0.06	-44.58
CC(CNC(=O)C=CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005051985	0	33	-1.0	-49.45	302.67	-4.61	-54.06
C#CCSCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051986	0	34	-1.0	-47.76	323.01	0.60	-47.16
CC(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051987	0	32	-1.0	-44.69	283.50	-3.38	-48.07
CC(CNC(=O)C1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051988	0	36	-1.0	-44.86	307.54	-3.02	-47.88
CC(CNC(=O)C(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051989	0	36	-1.0	-44.61	311.79	-1.57	-46.18
CC(CNC(=O)CN1C=NN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051990	0	34	-1.0	-53.71	308.20	1.52	-52.19
C=CCC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051991	0	38	-1.0	-43.60	324.89	0.65	-42.95
CC(CNC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005051992	0	32	-1.0	-44.50	290.02	-0.38	-44.88
CC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051993	0	40	0.0	-60.38	326.40	-0.13	-60.51
CC(CNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051993	1	39	-1.0	-44.11	320.37	-2.54	-46.65
CC(CNC(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005051994	0	31	-1.0	-44.22	279.30	-1.10	-45.32
CC(CNC(=O)CN1C=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051995	0	34	-1.0	-53.67	306.79	-2.12	-55.79
C=CC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005051996	0	39	-1.0	-43.59	326.68	1.55	-42.04
CC(CNC(=O)C1(O)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051997	0	34	-1.0	-45.63	298.49	-5.78	-51.41
CCC(C)C(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051998	0	41	-1.0	-44.38	338.29	-1.18	-45.56
CC(C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005051999	0	36	-1.0	-45.05	315.48	0.98	-44.07
CCC1CC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052000	0	38	-1.0	-43.61	320.54	0.98	-42.63
CC(O)CCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052001	0	41	-1.0	-46.27	347.55	-2.21	-48.48
CC(CNC(=O)CC1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052002	0	36	-1.0	-47.10	314.65	-3.23	-50.33
CC(CNC(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005052003	0	32	-1.0	-45.60	292.47	-0.53	-46.13
CC(CNC(=O)C(F)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052004	0	38	-1.0	-44.32	332.39	1.11	-43.21
CCC(CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)OC	REAL250005052005	0	41	-1.0	-45.31	340.88	0.30	-45.01
CC(CNC(=O)C1=C(Cl)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052006	0	33	-1.0	-45.62	310.77	0.59	-45.03
CC(CNC(=O)[C@]12C[C@H]1[C@H](F)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005052007	0	36	-1.0	-46.32	318.27	0.81	-45.51
CC(CNC(=O)C1=CCCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052008	0	37	-1.0	-45.55	315.43	-1.12	-46.67
CC(CNC(=O)C(O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052009	0	41	-1.0	-43.25	333.24	-0.84	-44.09
C#CCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052010	0	33	-1.0	-44.80	299.99	0.04	-44.76
CC(CNC(=O)CN1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052011	0	37	-1.0	-45.08	314.08	-3.33	-48.41
CC(CNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052011	1	38	0.0	-62.42	318.39	-0.11	-62.53
CC(C)C(O)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052012	0	41	-1.0	-46.10	341.55	-1.59	-47.69
CCCC(C)(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052013	0	41	-1.0	-44.18	341.51	-2.36	-46.54
CCOC(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052014	0	41	-1.0	-46.15	339.02	0.22	-45.93
C#C[C@H]1C[C@H]1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052015	0	34	-1.0	-46.22	306.09	0.69	-45.53
CC(CNC(=O)C1(N=[N+]=[N-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052016	0	34	-1.0	-44.82	306.45	-3.40	-48.22
CC(CNC(=O)C1=CNC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052017	0	32	-1.0	-52.33	297.02	-3.69	-56.02
CC(C)[C@@H]1C[C@H]1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052018	0	41	-1.0	-44.01	345.07	1.52	-42.49
CC(CNC(=O)C1C2CCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005052019	0	36	-1.0	-44.09	305.92	0.86	-43.23
C=C1CCC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052020	0	36	-1.0	-43.22	312.26	0.49	-42.73
CC(CNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052021	0	38	-1.0	-43.23	313.38	0.70	-42.53
CC(CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052022	0	40	0.0	-61.35	326.43	-0.11	-61.46
CC(CNC(=O)[C@@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052022	1	39	-1.0	-44.12	320.06	-2.55	-46.67
CC=CC=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052023	0	36	-1.0	-44.67	321.45	0.79	-43.88
CC(CNC(=O)C1=NC=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052024	0	34	-1.0	-46.90	304.18	-0.52	-47.42
CC(CNC(=O)[C@@H]1CC[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052025	0	39	-1.0	-45.69	326.92	-2.75	-48.44
CC(CNC(=O)[C@@H]1CC=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052026	0	39	-1.0	-43.74	326.15	1.19	-42.55
COCC=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052027	0	36	-1.0	-45.75	319.63	-1.60	-47.35
CC(CNC(=O)CN1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052028	0	40	-1.0	-45.77	336.20	-2.33	-48.10
CC(CNC(=O)C[NH+]1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052028	1	41	0.0	-62.00	339.56	0.56	-61.44
CC(CNC(=O)C1(C)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052029	0	36	-1.0	-44.05	308.40	-2.14	-46.19
CC(CNC(=O)C1=CCCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052030	0	37	-1.0	-45.35	317.10	-0.54	-45.89
CC(CNC(=O)C1=CCCS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052031	0	34	-1.0	-47.24	309.81	0.28	-46.96
CC1=NOC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052032	0	36	-1.0	-51.37	318.08	-0.61	-51.98
CC(CNC(=O)C(=O)NC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052033	0	36	-1.0	-47.01	321.59	-2.72	-49.73
CC(CNC(=O)C1CCSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052034	0	36	-1.0	-44.98	315.24	0.36	-44.62
CC(CNC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052035	0	33	-1.0	-46.93	291.60	-1.71	-48.64
CC(CNC(=O)CCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005052036	0	33	-1.0	-44.04	302.85	-4.63	-48.67
C#CCOCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052037	0	34	-1.0	-49.22	313.07	-0.39	-49.61
CC(CNC(=O)CC1=NN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052038	0	33	-1.0	-52.91	302.84	-6.08	-58.99
CC(CNC(=O)C1CCCS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052039	0	36	-1.0	-46.59	317.13	0.37	-46.22
CC(CNC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005052040	0	35	-1.0	-44.44	303.19	-3.82	-48.26
CC1=CC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052041	0	33	-1.0	-45.18	298.27	0.22	-44.96
CC(CNC(=O)C(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052042	0	35	-1.0	-47.12	304.90	-2.62	-49.74
CSC=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052043	0	33	-1.0	-44.96	308.33	-0.33	-45.29
CCC(C)(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052044	0	38	-1.0	-44.01	319.81	-3.15	-47.16
CC[N@H+](C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052045	0	40	0.0	-61.86	326.02	0.15	-61.71
CC[N@@H+](C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052045	1	40	0.0	-61.89	326.02	0.12	-61.77
CCN(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052045	1	39	-1.0	-44.41	324.18	-2.12	-46.53
CCC=CC=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052046	0	39	-1.0	-44.55	342.54	1.55	-43.00
CC(CNC(=O)C1=CC(=O)N[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052047	0	32	-2.0	-89.56	298.54	-4.56	-94.12
CC1=CC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005052048	0	36	-1.0	-47.82	317.25	-0.52	-48.34
CC1=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005052049	0	39	-1.0	-44.12	326.27	1.32	-42.80
C=C1CC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052050	0	36	-1.0	-43.80	312.96	0.54	-43.26
CC(CNC(=O)C(C)(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052051	0	39	-1.0	-43.91	328.84	-2.12	-46.03
CC1=NC=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL250005052052	0	34	-1.0	-45.85	309.10	-3.50	-49.35
CC(CNC(=O)C1CCC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005052053	0	35	-1.0	-46.50	303.47	0.13	-46.37
CC(CNC(=O)C1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052054	0	32	-1.0	-46.83	290.03	-1.40	-48.23
CC1=NOC(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005052055	0	33	-1.0	-47.42	303.64	-3.48	-50.90
CC(CNC(=O)C1CC2CC2C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052056	0	39	-1.0	-43.56	325.13	1.29	-42.27
CC(CNC(=O)C1=CCSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052057	0	34	-1.0	-45.26	308.32	0.31	-44.95
CCCC(O)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052058	0	41	-1.0	-46.31	346.38	-1.32	-47.63
CC(CNC(=O)C1(Cl)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052059	0	32	-1.0	-43.82	298.48	0.05	-43.77
CC(CNC(=O)C1=CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052060	0	34	-1.0	-45.73	300.80	-1.37	-47.10
CC(CNC(=O)C=CC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052061	0	41	0.0	-67.34	344.26	0.68	-66.66
CCC[C@H](O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052062	0	38	-1.0	-44.68	325.49	-1.78	-46.46
CCC(C)(OC)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052063	0	41	-1.0	-45.94	335.70	-0.06	-46.00
CC(C)[C@H](O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052064	0	38	-1.0	-44.47	319.79	-1.86	-46.33
CC(C)C(CO)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052065	0	41	-1.0	-43.22	334.63	-2.24	-45.46
CCOC=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052066	0	36	-1.0	-45.72	319.35	-1.02	-46.74
CCN1CCC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052067	0	40	-1.0	-45.56	336.29	-2.41	-47.97
CC[N@@H+]1CCC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052067	1	41	0.0	-60.26	333.08	0.20	-60.06
CC[N@H+]1CCC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052067	1	41	0.0	-60.73	339.93	0.49	-60.24
CC(CNC(=O)C1CCCC1O)NC(=O)C1=CC(=O)[N-]O1	REAL250005052068	0	39	-1.0	-45.87	324.54	-1.00	-46.87
CC(CNC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005052069	0	32	-1.0	-47.38	283.85	-3.42	-50.80
CCC(C)=C(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052070	0	41	-1.0	-43.60	337.01	1.47	-42.13
COC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005052071	0	39	-1.0	-43.95	327.68	-1.11	-45.06
CC(CNC(=O)CCC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005052072	0	41	-1.0	-44.84	342.58	-2.48	-47.32
CC(CNC(=O)C1=CSN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052073	0	31	-1.0	-44.55	294.00	-1.30	-45.85
CC(CNC(=O)C1(C)CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052074	0	41	-1.0	-43.65	332.67	1.00	-42.65
CNC(=O)CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052075	0	38	-1.0	-49.12	332.32	-2.93	-52.05
CC(CNC(=O)CCCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005052076	0	37	-1.0	-44.84	322.29	0.44	-44.40
CC(CNC(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005052077	0	33	-1.0	-46.95	297.38	-4.01	-50.96
CC(CNC(=O)CC1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052078	0	34	-1.0	-49.62	308.14	-3.41	-53.03
COC(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052079	0	38	-1.0	-46.24	317.16	-0.71	-46.95
CC(CNC(=O)C(C)(C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052080	0	43	0.0	-60.10	335.53	0.64	-59.46
CC(CNC(=O)C(F)(F)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005052081	0	32	-1.0	-47.18	294.08	-3.02	-50.20
CC(CNC(=O)CCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005052082	0	38	-1.0	-45.94	327.12	-3.04	-48.98
CC1=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005052083	0	34	-1.0	-45.82	305.04	-0.71	-46.53
CC(CNC(=O)C1CNC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052084	0	36	-1.0	-48.58	313.24	-3.68	-52.26
CC(CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052085	0	35	-1.0	-52.01	308.95	-5.81	-57.82
CC(CNC(=O)C1=CN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052086	0	31	-1.0	-45.05	295.26	-1.80	-46.85
CC1=CC=C(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005052087	0	36	-1.0	-45.28	317.12	-0.59	-45.87
CC(CNC(=O)C1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052088	0	36	-1.0	-46.68	315.66	-3.32	-50.00
COC1(CC(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052089	0	39	-1.0	-45.92	334.20	-0.97	-46.89
CC[C@H](C)[C@H](O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052090	0	41	-1.0	-43.86	337.89	-1.22	-45.08
CC(CNC(=O)[C@]12C[C@H]1[C@H](O)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005052091	0	37	-1.0	-47.14	323.07	-2.67	-49.81
COC(F)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052092	0	32	-1.0	-46.91	291.33	-2.41	-49.32
CC(CNC(=O)C12CC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005052093	0	36	-1.0	-43.97	311.64	0.72	-43.25
CCCC(C)=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052094	0	41	-1.0	-43.57	345.36	1.59	-41.98
C=C[C@H](C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052095	0	38	-1.0	-43.75	323.72	0.64	-43.11
CC(CNC(=O)C=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052096	0	36	-1.0	-44.37	318.26	0.93	-43.44
CC=C(CC)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052097	0	38	-1.0	-44.19	322.05	0.74	-43.45
CC(CNC(=O)CC12CC(C1)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005052098	0	39	-1.0	-44.39	326.48	1.46	-42.93
CCC(C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005052099	0	41	-1.0	-45.15	341.58	-2.70	-47.85
C=CC(C)(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052100	0	36	-1.0	-44.18	313.37	-3.08	-47.26
CCC(C)(CO)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052101	0	41	-1.0	-44.39	336.43	-2.73	-47.12
CC(CNC(=O)C1([NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052102	0	41	0.0	-61.45	330.51	0.85	-60.60
CC(CNC(=O)C1(N(C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052102	1	40	-1.0	-43.24	335.09	-1.64	-44.88
CC(CNC(=O)C12CC(C1)CO2)NC(=O)C1=CC(=O)[N-]O1	REAL250005052103	0	37	-1.0	-45.28	316.31	-1.28	-46.56
CC(CNC(=O)[C@H](C)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005052104	0	41	-1.0	-45.36	332.52	-1.46	-46.82
CC(CNC(=O)C12CC(C1)OC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005052105	0	37	-1.0	-45.60	317.08	-1.48	-47.08
CC(O)C1CC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052106	0	39	-1.0	-45.25	329.21	-0.87	-46.12
CC(CNC(=O)[C@]12C[C@H]1[C@H](C)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005052107	0	39	-1.0	-44.29	332.65	1.36	-42.93
CC(CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052108	0	34	-1.0	-51.89	307.68	0.60	-51.29
CC(CNC(=O)C#CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052109	0	37	-1.0	-46.24	332.72	1.45	-44.79
CC(CNC(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052110	0	33	-1.0	-45.01	293.71	0.09	-44.92
CC(CNC(=O)C1=CC=C(F)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052111	0	32	-1.0	-45.35	298.75	-0.85	-46.20
CON=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052112	0	32	-1.0	-47.19	295.17	-2.68	-49.87
C#CCC(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052113	0	39	-1.0	-43.96	334.61	1.05	-42.91
CC(CNC(=O)CN(C)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005052114	0	37	-1.0	-53.69	322.77	-3.75	-57.44
CC(CNC(=O)C1=NC(=O)N[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052115	0	31	-2.0	-93.16	293.14	-5.85	-99.01
CC(CNC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052116	0	32	-1.0	-44.23	289.29	-0.43	-44.66
CC(CNC(=O)COCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005052117	0	36	-1.0	-50.21	318.66	-4.05	-54.26
CC(CNC(=O)C(C)(C)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005052118	0	37	-1.0	-43.19	316.14	0.06	-43.13
CC(C)[C@@H](O)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052119	0	41	-1.0	-46.08	339.32	-1.37	-47.45
CSC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052120	0	36	-1.0	-44.37	327.34	0.60	-43.77
CC(CNC(=O)C1=NOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052121	0	33	-1.0	-47.29	296.75	-2.40	-49.69
CC(CNC(=O)C1(CCO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052122	0	39	-1.0	-45.31	337.28	-2.63	-47.94
CC(C)C(C)(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052123	0	41	-1.0	-43.65	334.75	-2.39	-46.04
CC(CNC(=O)C(C)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052124	0	43	0.0	-63.55	346.70	0.73	-62.82
CC(CNC(=O)C1=NN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052125	0	30	-1.0	-49.15	291.28	-2.90	-52.05
CC(CNC(=O)C(F)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052126	0	38	-1.0	-44.94	324.76	0.80	-44.14
CC(CNC(=O)C1CC(C)(C)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052127	0	39	-1.0	-46.53	333.18	-0.33	-46.86
CC(CNC(=O)C1=NOC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052128	0	36	-1.0	-47.18	317.84	-1.65	-48.83
CC(CNC(=O)C1CC(C)(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052129	0	38	-1.0	-45.11	325.71	0.67	-44.44
COCC(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052130	0	36	-1.0	-46.43	316.85	-4.08	-50.51
C#CC(C)(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052131	0	36	-1.0	-45.71	316.96	0.41	-45.30
CC(CNC(=O)[C@H]1CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052132	0	35	-1.0	-51.98	308.94	-5.81	-57.79
CC(CNC(=O)CN1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052133	0	40	-1.0	-44.61	329.63	-2.70	-47.31
CC(CNC(=O)C[N@@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052133	1	41	0.0	-60.60	339.63	0.55	-60.05
CC(CNC(=O)C[N@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052133	1	41	0.0	-60.90	339.58	0.57	-60.33
CC(CNC(=O)COC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052134	0	36	-1.0	-47.27	317.65	-0.15	-47.42
CC(CNC(=O)C1=NC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052135	0	32	-1.0	-48.82	291.16	-2.21	-51.03
CC(CNC(=O)C=CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052136	0	39	-1.0	-44.15	334.69	1.46	-42.69
CCCC=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052137	0	38	-1.0	-44.17	328.87	0.90	-43.27
CC=C(F)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052138	0	32	-1.0	-44.45	291.25	-0.58	-45.03
CCC(C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005052139	0	43	-1.0	-43.22	344.19	1.03	-42.19
CC(CNC(=O)C(F)=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052140	0	36	-1.0	-45.20	317.50	0.83	-44.37
CCC(CO)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052141	0	38	-1.0	-44.86	320.21	-3.13	-47.99
CC(CNC(=O)C(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005052142	0	35	-1.0	-45.01	302.84	-3.88	-48.89
CC(CNC(=O)C1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052143	0	31	-1.0	-46.25	286.43	-1.54	-47.79
CC(CNC(=O)[C@@H]1C[C@H]1CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005052144	0	35	-1.0	-45.62	311.20	0.33	-45.29
C#CC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052145	0	34	-1.0	-44.43	308.92	0.58	-43.85
CC(CNC(=O)C1=COCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052146	0	34	-1.0	-44.63	299.41	-1.41	-46.04
CC(CNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005052147	0	32	-1.0	-47.58	283.84	-3.41	-50.99
CC(CNC(=O)C1=CC(F)=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052148	0	32	-1.0	-45.40	297.03	-2.66	-48.06
CC(CNC(=O)C1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052149	0	36	-1.0	-44.02	308.27	0.54	-43.48
CC(O)C(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052150	0	38	-1.0	-44.21	319.12	-3.14	-47.35
CC(CNC(=O)C1(O)CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052151	0	37	-1.0	-45.58	314.91	-5.00	-50.58
C=C1CC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052152	0	33	-1.0	-44.71	296.80	0.10	-44.61
CC(CNC(=O)CC1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052153	0	39	-1.0	-44.16	328.75	1.27	-42.89
CC(CNC(=O)C(C)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005052154	0	34	-1.0	-43.61	298.05	-0.47	-44.08
CC(CNC(=O)C1=CC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052155	0	39	-1.0	-44.47	335.51	1.25	-43.22
CC(CNC(=O)[C@@H]1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005052156	0	32	-1.0	-46.97	294.72	-0.29	-47.26
CC(=O)NCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052157	0	38	-1.0	-52.10	333.52	-2.94	-55.04
CC(CNC(=O)C1=CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052158	0	33	-1.0	-50.26	299.73	-4.32	-54.58
CC(CNC(=O)C1CCCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052159	0	41	-1.0	-43.60	336.48	1.26	-42.34
C=C(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052160	0	35	-1.0	-44.28	307.23	-0.05	-44.33
CCSCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052161	0	35	-1.0	-45.80	317.24	0.08	-45.72
CC(C)=C(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052162	0	38	-1.0	-43.84	316.10	0.75	-43.09
CCCC(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052163	0	38	-1.0	-44.21	325.50	-1.78	-45.99
CCCCC(O)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052164	0	41	-1.0	-44.74	346.99	-1.00	-45.74
CC(CNC(=O)CSC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052165	0	36	-1.0	-45.67	327.82	0.88	-44.79
CCC(O)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052166	0	38	-1.0	-46.58	324.88	-2.09	-48.67
CC(Cl)=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052167	0	32	-1.0	-45.09	298.60	-0.12	-45.21
CC=CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052168	0	32	-1.0	-44.60	286.28	-0.64	-45.24
CCC(F)(F)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052169	0	34	-1.0	-44.08	304.46	-0.34	-44.42
CC(CNC(=O)C1(C)CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005052170	0	35	-1.0	-46.80	305.67	0.22	-46.58
CC(CNC(=O)[C@H]1C[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052171	0	36	-1.0	-46.65	310.85	-3.39	-50.04
CC(CNC(=O)CC1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052172	0	41	-1.0	-44.06	343.67	1.44	-42.62
CC(CNC(=O)C(C)NC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005052173	0	37	-1.0	-48.45	323.86	-5.51	-53.96
C=C(C)CCCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052174	0	41	-1.0	-44.47	349.87	1.52	-42.95
CC(CNC(=O)C1(C)CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052175	0	38	-1.0	-43.88	324.09	0.64	-43.24
CC(CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052176	0	35	-1.0	-44.17	304.61	0.20	-43.97
CC(CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)NC(=O)C1=CC(=O)[N-]O1	REAL250005052177	0	39	-1.0	-43.76	325.68	1.28	-42.48
CC(CNC(=O)COC1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052178	0	37	-1.0	-47.66	325.09	-2.34	-50.00
CC(CNC(=O)[C@@]12C[C@@H]1[C@H](C)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005052179	0	39	-1.0	-44.07	331.34	1.31	-42.76
CNC(=O)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052180	0	35	-1.0	-53.31	308.80	-2.19	-55.50
C=CC=CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052181	0	36	-1.0	-44.64	320.87	0.72	-43.92
C#CC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005052182	0	37	-1.0	-44.19	324.75	1.02	-43.17
CC(CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052183	0	41	0.0	-60.00	328.30	0.02	-59.98
CC(CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052183	1	41	0.0	-59.68	334.21	0.51	-59.17
CC(CNC(=O)[C@@H]1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052183	1	40	-1.0	-45.02	333.37	-1.92	-46.94
CC(CNC(=O)C1CC=CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052184	0	37	-1.0	-46.26	318.78	-0.02	-46.28
CC(CNC(=O)CCOC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052185	0	39	-1.0	-44.91	338.60	-0.44	-45.35
CC(CNC(=O)CCCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005052186	0	41	-1.0	-46.61	348.62	-2.25	-48.86
CC(CNC(=O)C1=CSC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052187	0	31	-1.0	-47.15	295.34	-1.96	-49.11
CC(CNC(=O)C1(CO)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052188	0	39	-1.0	-43.92	324.46	-2.15	-46.07
CC(CNC(=O)CCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005052189	0	35	-1.0	-48.85	310.39	-4.41	-53.26
C=CCC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052190	0	39	-1.0	-44.00	338.28	1.31	-42.69
CC(CNC(=O)COC(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005052191	0	32	-1.0	-47.25	297.03	-1.53	-48.78
COC(C)(C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052192	0	41	-1.0	-45.27	335.26	0.01	-45.26
CC(O)CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052193	0	38	-1.0	-44.98	326.01	-2.98	-47.96
C#CCC(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052194	0	36	-1.0	-44.32	317.86	0.59	-43.73
CC(CNC(=O)C(C)CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005052195	0	38	-1.0	-46.62	321.81	-3.29	-49.91
CC(CNC(=O)C(F)=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052196	0	36	-1.0	-44.55	322.80	0.97	-43.58
CC(CNC(=O)CC1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052197	0	38	-1.0	-44.55	327.17	0.91	-43.64
CC(CNC(=O)[C@H](O)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005052198	0	32	-1.0	-45.90	289.81	-3.24	-49.14
CC(CNC(=O)C1=NN=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052199	0	34	-1.0	-52.21	304.57	0.15	-52.06
CC(CNC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052200	0	33	-1.0	-44.90	291.54	-3.55	-48.45
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005052201	0	35	-1.0	-45.26	303.64	0.27	-44.99
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)F	REAL250005052202	0	34	-1.0	-45.76	298.39	-0.54	-46.30
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(F)F	REAL250005052203	0	31	-1.0	-44.30	284.56	-1.08	-45.38
COCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052204	0	32	-1.0	-48.09	285.44	-1.90	-49.99
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC=N1	REAL250005052205	0	34	-1.0	-47.12	305.30	-0.67	-47.79
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=C1	REAL250005052206	0	34	-1.0	-46.52	303.28	-0.73	-47.25
CCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052207	0	34	-1.0	-45.08	294.21	-0.51	-45.59
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN=C1	REAL250005052208	0	34	-1.0	-47.25	303.08	-0.73	-47.98
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CO1	REAL250005052209	0	32	-1.0	-46.41	292.32	-0.95	-47.36
CC(=O)NCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052210	0	35	-1.0	-48.50	311.09	-3.57	-52.07
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC=C1	REAL250005052211	0	35	-1.0	-46.20	308.10	1.04	-45.16
CC(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052212	0	37	-1.0	-44.68	310.94	0.09	-44.59
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCCC1	REAL250005052213	0	41	-1.0	-44.54	333.89	1.29	-43.25
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CC=N1	REAL250005052214	0	33	-1.0	-46.95	300.10	-2.56	-49.51
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCCC1	REAL250005052215	0	41	-1.0	-44.83	335.91	1.34	-43.49
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CS1	REAL250005052216	0	32	-1.0	-45.40	300.25	0.04	-45.36
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005052217	0	35	-1.0	-45.07	304.60	0.17	-44.90
CCOCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052218	0	35	-1.0	-48.06	307.29	-0.95	-49.01
CC(C)=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052219	0	35	-1.0	-44.70	302.13	0.04	-44.66
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCCO1	REAL250005052220	0	35	-1.0	-49.90	306.26	-1.32	-51.22
CC(=O)NC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052221	0	38	-1.0	-49.38	330.65	-2.74	-52.12
CC1=CC=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005052222	0	35	-1.0	-46.19	314.24	-0.13	-46.32
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCO1	REAL250005052223	0	36	-1.0	-47.63	308.73	-0.72	-48.35
CSCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052224	0	32	-1.0	-47.25	295.78	-0.85	-48.10
CC1=CC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005052225	0	34	-1.0	-47.17	308.74	-0.88	-48.05
CSCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052226	0	35	-1.0	-45.16	317.45	-0.03	-45.19
CC(C)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052227	0	40	-1.0	-45.00	333.28	0.78	-44.22
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=C1	REAL250005052228	0	32	-1.0	-45.95	299.43	-0.04	-45.99
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005052229	0	35	-1.0	-46.11	309.76	-0.18	-46.29
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C=CCC1	REAL250005052230	0	39	-1.0	-45.04	328.07	1.26	-43.78
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NN=N1	REAL250005052231	0	33	-1.0	-56.81	301.52	-1.72	-58.53
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)N=C1	REAL250005052232	0	35	-1.0	-48.92	313.14	-1.21	-50.13
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CCC1	REAL250005052233	0	39	-1.0	-44.74	326.15	1.18	-43.56
CC1=NOC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005052234	0	34	-1.0	-46.41	308.76	-0.93	-47.34
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1	REAL250005052235	0	33	-1.0	-47.41	295.21	-1.17	-48.58
CC(=O)CCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052236	0	39	-1.0	-52.52	338.91	0.19	-52.33
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=C1	REAL250005052237	0	32	-1.0	-48.36	291.49	-0.99	-49.35
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=CC=N1	REAL250005052238	0	35	-1.0	-51.14	312.93	-0.84	-51.98
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005052239	0	35	-1.0	-46.35	310.22	-0.27	-46.62
CCCCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052240	0	40	-1.0	-45.02	337.21	1.06	-43.96
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C	REAL250005052241	0	40	-1.0	-43.92	325.91	0.62	-43.30
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1C	REAL250005052242	0	36	-1.0	-46.88	313.17	0.49	-46.39
CCCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052243	0	37	-1.0	-45.10	315.71	0.27	-44.83
CC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052244	0	34	-1.0	-44.88	292.27	-0.60	-45.48
CCC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052245	0	37	-1.0	-44.74	310.39	0.05	-44.69
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSCC#N	REAL250005052246	0	33	-1.0	-52.92	316.59	-0.21	-53.13
CC(=O)N(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052247	0	38	-1.0	-52.48	328.79	-1.31	-53.79
CCC(CC)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052248	0	40	-1.0	-44.90	326.54	0.53	-44.37
CC(C)OCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052249	0	41	-1.0	-45.42	348.51	-0.49	-45.91
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COCCO1	REAL250005052250	0	37	-1.0	-48.36	317.70	-1.89	-50.25
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1	REAL250005052251	0	32	-1.0	-46.77	289.91	-2.48	-49.25
CSC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052252	0	35	-1.0	-46.48	314.33	-0.28	-46.76
CCOC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052253	0	38	-1.0	-47.55	327.08	-0.24	-47.79
CCOCCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052254	0	41	-1.0	-47.41	349.74	-0.47	-47.88
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COCC1CC1	REAL250005052255	0	39	-1.0	-48.22	338.95	0.64	-47.58
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCCO1	REAL250005052256	0	39	-1.0	-48.53	328.81	-0.26	-48.79
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1	REAL250005052257	0	32	-1.0	-48.03	290.20	-2.52	-50.55
COCCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052258	0	38	-1.0	-47.42	327.89	-1.44	-48.86
CCOC1CC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052259	0	39	-1.0	-44.83	338.79	-0.60	-45.43
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSN=C1	REAL250005052260	0	30	-1.0	-44.68	289.05	-2.98	-47.66
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NS1	REAL250005052261	0	30	-1.0	-46.02	290.38	-2.35	-48.37
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC=C1	REAL250005052262	0	31	-1.0	-47.87	286.80	-1.71	-49.58
CC(=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005052263	0	39	-1.0	-44.47	330.29	1.49	-42.98
CC1=NNC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005052264	0	35	-1.0	-46.94	311.86	-1.91	-48.85
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CS1	REAL250005052265	0	31	-1.0	-46.19	295.26	-1.81	-48.00
CCC=C(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052266	0	38	-1.0	-45.17	321.41	0.81	-44.36
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005052267	0	34	-1.0	-47.17	305.10	-3.54	-50.71
CCOC(CC)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052268	0	41	-1.0	-46.15	347.54	0.63	-45.52
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(F)(F)F	REAL250005052269	0	31	-1.0	-48.01	290.13	-0.85	-48.86
COC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052270	0	35	-1.0	-47.77	305.22	-1.20	-48.97
CC(C)OCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052271	0	38	-1.0	-47.97	327.56	-0.22	-48.19
CCCOCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052272	0	38	-1.0	-47.88	328.79	-0.14	-48.02
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1	REAL250005052273	0	36	-1.0	-46.41	306.42	-1.94	-48.35
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1C	REAL250005052274	0	35	-1.0	-46.75	308.21	-1.22	-47.97
CCC(OC)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052275	0	38	-1.0	-46.83	326.43	-0.37	-47.20
COCCCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052276	0	41	-1.0	-46.15	349.38	-0.65	-46.80
CCCC(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052277	0	43	-1.0	-44.51	350.67	1.51	-43.00
COC(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052278	0	38	-1.0	-45.80	325.52	-0.68	-46.48
C=CCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052279	0	35	-1.0	-45.16	307.02	0.06	-45.10
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCCC1	REAL250005052280	0	37	-1.0	-45.28	314.29	-0.66	-45.94
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCOC1	REAL250005052281	0	39	-1.0	-45.42	324.91	-1.11	-46.53
CCOCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052282	0	38	-1.0	-45.47	328.24	-1.23	-46.70
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=N1	REAL250005052283	0	31	-1.0	-46.97	295.34	-1.96	-48.93
COCC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052284	0	38	-1.0	-44.87	325.10	-1.48	-46.35
C=CCOCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052285	0	36	-1.0	-48.46	320.19	-0.37	-48.83
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=N1	REAL250005052286	0	31	-1.0	-47.50	287.11	-4.36	-51.86
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC(=O)N1	REAL250005052287	0	36	-1.0	-50.91	315.05	-3.38	-54.29
CC1=NC=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005052288	0	35	-1.0	-48.13	312.02	-1.57	-49.70
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+]1C	REAL250005052289	0	41	0.0	-59.90	328.30	0.01	-59.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C	REAL250005052289	1	41	0.0	-59.84	328.30	0.01	-59.83
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCN1C	REAL250005052289	1	40	-1.0	-46.45	333.52	-1.81	-48.26
CCC(=O)NCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052290	0	38	-1.0	-48.31	331.68	-2.77	-51.08
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(C)(C)C	REAL250005052291	0	41	-1.0	-44.94	344.21	1.14	-43.80
CC(C#N)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052292	0	32	-1.0	-51.19	291.69	-0.98	-52.17
CCCC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052293	0	40	-1.0	-44.72	331.88	0.80	-43.92
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C(C)(C)C	REAL250005052294	0	39	-1.0	-44.10	330.03	-0.19	-44.29
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CC1	REAL250005052295	0	38	-1.0	-45.02	325.82	1.06	-43.96
CCCCOCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052296	0	41	-1.0	-47.82	350.29	0.64	-47.18
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NOC=C1	REAL250005052297	0	34	-1.0	-50.73	306.94	-0.93	-51.66
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCOC1	REAL250005052298	0	39	-1.0	-47.26	326.92	-1.21	-48.47
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CC1	REAL250005052299	0	36	-1.0	-44.80	308.25	0.50	-44.30
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NNC=C1	REAL250005052300	0	35	-1.0	-52.41	311.80	-1.84	-54.25
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCC1	REAL250005052301	0	38	-1.0	-45.06	320.61	0.79	-44.27
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005052302	0	34	-1.0	-47.03	305.08	-3.63	-50.66
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C1CC1	REAL250005052303	0	38	-1.0	-44.99	321.56	0.85	-44.14
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCCC21	REAL250005052304	0	39	-1.0	-44.84	321.21	1.54	-43.30
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CCC1	REAL250005052305	0	41	-1.0	-45.02	342.44	1.58	-43.44
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)C=CN1	REAL250005052306	0	36	-1.0	-47.47	313.56	-0.52	-47.99
CC=C(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052307	0	35	-1.0	-45.33	301.02	0.04	-45.29
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)C1	REAL250005052308	0	38	-1.0	-44.98	319.86	0.64	-44.34
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCC1	REAL250005052309	0	36	-1.0	-45.61	311.87	0.73	-44.88
CCC(=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005052310	0	41	-1.0	-44.12	342.47	1.52	-42.60
CC(C)=C(F)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052311	0	35	-1.0	-43.86	306.93	0.11	-43.75
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCC1	REAL250005052312	0	36	-1.0	-45.27	309.29	0.61	-44.66
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)C=C1	REAL250005052313	0	36	-1.0	-48.10	318.13	0.63	-47.47
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)C=N1	REAL250005052314	0	35	-1.0	-49.88	313.66	0.26	-49.62
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCCO1	REAL250005052315	0	39	-1.0	-47.66	326.65	0.11	-47.55
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(C)C	REAL250005052316	0	38	-1.0	-44.37	319.83	0.72	-43.65
CCC(C)OCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052317	0	41	-1.0	-47.78	348.33	0.59	-47.19
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(C)C	REAL250005052318	0	38	-1.0	-44.38	319.83	0.72	-43.66
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCO1	REAL250005052319	0	36	-1.0	-48.62	308.96	-0.77	-49.39
C#CCCCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052320	0	39	-1.0	-46.19	342.99	1.58	-44.61
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC(C)(C)C	REAL250005052321	0	41	-1.0	-47.76	341.59	0.17	-47.59
CCNC(=O)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052322	0	38	-1.0	-54.75	330.29	-1.40	-56.15
COC(C)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052323	0	41	-1.0	-45.18	347.43	-0.66	-45.84
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN=C1	REAL250005052324	0	33	-1.0	-46.68	298.03	-0.91	-47.59
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCOCC1	REAL250005052325	0	37	-1.0	-45.49	315.43	-1.12	-46.61
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=COC=C1	REAL250005052326	0	35	-1.0	-48.16	313.46	-0.34	-48.50
CC1=NC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005052327	0	34	-1.0	-46.93	309.10	-3.62	-50.55
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)NC(N)=O	REAL250005052328	0	37	-1.0	-50.23	323.87	-5.51	-55.74
CC1=CC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005052329	0	35	-1.0	-48.25	313.39	-0.16	-48.41
CCC(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052330	0	40	-1.0	-44.60	329.17	0.75	-43.85
C#CCCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052331	0	36	-1.0	-47.50	321.49	0.79	-46.71
C=CC(C)(O)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052332	0	39	-1.0	-45.31	327.82	-1.33	-46.64
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)O	REAL250005052333	0	38	-1.0	-47.38	320.02	-2.02	-49.40
COC(C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005052334	0	39	-1.0	-45.88	334.45	0.58	-45.30
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)NC=C1	REAL250005052335	0	36	-1.0	-47.13	313.18	-0.49	-47.62
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1C	REAL250005052336	0	34	-1.0	-48.25	303.29	-2.62	-50.87
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC(=O)N1	REAL250005052337	0	34	-1.0	-54.16	305.10	-4.67	-58.83
CCCCC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052338	0	43	-1.0	-44.56	353.38	1.59	-42.97
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(C)C1	REAL250005052339	0	41	-1.0	-44.57	339.73	1.11	-43.46
CC(C)[C@@H](O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052340	0	38	-1.0	-44.72	319.89	-1.84	-46.56
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)N=N1	REAL250005052341	0	34	-1.0	-50.24	309.16	-2.65	-52.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)C=N1	REAL250005052342	0	34	-1.0	-52.89	308.60	-0.53	-53.42
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(F)F	REAL250005052343	0	32	-1.0	-45.55	296.22	-0.34	-45.89
CCC(C)=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052344	0	38	-1.0	-44.45	323.87	0.79	-43.66
CC(C)C#CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052345	0	36	-1.0	-46.27	322.10	0.77	-45.50
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CCC1	REAL250005052346	0	39	-1.0	-46.11	327.41	-1.13	-47.24
CC1=CNN=C1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052347	0	35	-1.0	-48.57	309.36	-1.82	-50.39
CC(C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005052348	0	39	-1.0	-45.34	329.59	1.50	-43.84
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1CC1	REAL250005052349	0	34	-1.0	-46.70	311.78	0.94	-45.76
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC(C)(C)C	REAL250005052350	0	39	-1.0	-46.34	342.24	1.31	-45.03
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250005052351	0	34	-1.0	-49.09	312.18	-0.15	-49.24
COCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052352	0	35	-1.0	-45.49	306.39	-2.20	-47.69
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005052353	0	32	-1.0	-45.14	283.23	-0.51	-45.65
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005052354	0	35	-1.0	-44.86	299.44	0.00	-44.86
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1	REAL250005052355	0	38	-1.0	-44.80	315.74	0.63	-44.17
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOCC1	REAL250005052356	0	39	-1.0	-45.68	325.01	-1.13	-46.81
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)N=C1	REAL250005052357	0	34	-1.0	-47.02	308.67	-2.82	-49.84
CCC(C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005052358	0	43	0.0	-59.73	338.95	0.45	-59.28
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)CO1	REAL250005052359	0	39	-1.0	-48.41	329.51	-0.11	-48.52
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1CCC2	REAL250005052360	0	39	-1.0	-45.09	327.84	1.31	-43.78
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC(=O)N1	REAL250005052361	0	36	-1.0	-52.49	315.01	-3.39	-55.88
CCC[N@H+](C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052362	0	43	0.0	-63.15	347.52	0.86	-62.29
CCC[N@@H+](C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052362	1	43	0.0	-63.30	347.52	0.86	-62.44
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)(C)C	REAL250005052363	0	43	-1.0	-44.86	349.44	1.18	-43.68
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=N1	REAL250005052364	0	33	-1.0	-46.19	300.36	-0.88	-47.07
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC=CO1	REAL250005052365	0	35	-1.0	-48.81	313.47	-0.15	-48.96
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CC=N1	REAL250005052366	0	33	-1.0	-50.66	300.92	-1.47	-52.13
CCC(C)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052367	0	43	-1.0	-44.94	351.51	1.44	-43.50
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN=N1	REAL250005052368	0	33	-1.0	-49.23	300.37	-1.83	-51.06
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1C	REAL250005052369	0	39	-1.0	-46.22	323.29	-1.19	-47.41
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCOC1	REAL250005052370	0	39	-1.0	-44.83	325.18	-1.45	-46.28
CCC(CC)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052371	0	43	-1.0	-44.56	343.30	1.27	-43.29
CCC(C)C(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052372	0	43	-1.0	-44.10	344.29	1.25	-42.85
CCCC(CC)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052373	0	43	-1.0	-45.01	352.81	1.35	-43.66
CCC1(C)CC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052374	0	41	-1.0	-44.36	336.89	1.36	-43.00
COCC(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052375	0	41	-1.0	-46.60	343.88	-0.80	-47.40
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(F)C1	REAL250005052376	0	38	-1.0	-46.31	323.35	0.70	-45.61
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1(C)CC1	REAL250005052377	0	41	-1.0	-45.00	342.17	1.42	-43.58
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005052378	0	34	-1.0	-46.09	305.33	-0.85	-46.94
CC[N@H+](C)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052379	0	43	0.0	-64.55	348.39	0.65	-63.90
CC[N@@H+](C)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052379	1	43	0.0	-64.45	348.39	0.67	-63.78
CC1=CON=C1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052380	0	34	-1.0	-47.67	305.63	-1.03	-48.70
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1N=CN=N1	REAL250005052381	0	33	-1.0	-52.30	303.04	-2.11	-54.41
CCCC[C@@H](C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052382	0	43	-1.0	-44.74	353.38	1.59	-43.15
CCC(C)(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052383	0	43	-1.0	-43.85	340.13	1.10	-42.75
CC(C)C(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052384	0	43	-1.0	-44.13	337.90	0.91	-43.22
C=CC(C)(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052385	0	41	-1.0	-43.88	334.57	1.01	-42.87
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1N=CC=N1	REAL250005052386	0	34	-1.0	-52.17	308.33	-2.49	-54.66
C=CCCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052387	0	38	-1.0	-45.34	328.52	0.84	-44.50
CCC(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052388	0	40	-1.0	-44.77	325.38	0.45	-44.32
CCCC(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052389	0	43	-1.0	-44.67	346.87	1.22	-43.45
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C(N)=O)CC1	REAL250005052390	0	36	-1.0	-48.30	320.27	-3.96	-52.26
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005052391	0	29	-1.0	-46.32	268.06	-5.93	-52.25
CC1=NOC=C1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052392	0	34	-1.0	-48.02	305.53	-0.92	-48.94
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC=CC1	REAL250005052393	0	39	-1.0	-44.93	326.66	1.06	-43.87
COC(C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005052394	0	41	-1.0	-47.45	340.73	0.12	-47.33
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1C	REAL250005052395	0	38	-1.0	-45.32	325.03	0.94	-44.38
C=CC(C)(CC)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052396	0	41	-1.0	-44.58	330.00	1.52	-43.06
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[C@H]1CCOC1	REAL250005052397	0	39	-1.0	-46.69	326.91	-1.13	-47.82
CCC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052398	0	38	-1.0	-45.14	325.60	0.68	-44.46
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005052399	0	37	-1.0	-44.62	311.15	-0.05	-44.67
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NNC=N1	REAL250005052400	0	34	-1.0	-53.13	307.33	-1.43	-54.56
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NN=CN1	REAL250005052400	1	34	-1.0	-55.61	305.94	-0.89	-56.50
C=C(C)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052401	0	38	-1.0	-45.04	328.37	0.71	-44.33
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NS1	REAL250005052402	0	31	-1.0	-46.03	295.32	-1.32	-47.35
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(F)F	REAL250005052403	0	34	-1.0	-49.94	304.61	-0.30	-50.24
CCCC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052404	0	41	-1.0	-44.94	347.12	1.46	-43.48
CCC[C@@H]1C[C@H]1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052405	0	41	-1.0	-44.82	347.51	1.71	-43.11
CC(C)C1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052406	0	41	-1.0	-44.37	338.75	1.07	-43.30
C=C1CC(C)(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052407	0	39	-1.0	-44.56	330.70	1.04	-43.52
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CC1	REAL250005052408	0	35	-1.0	-44.26	305.71	0.20	-44.06
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2(CC2)C1	REAL250005052409	0	39	-1.0	-44.71	331.80	1.40	-43.31
CCCCCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052410	0	43	-1.0	-45.00	358.71	1.84	-43.16
CC(C)C(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052411	0	40	-1.0	-44.34	326.29	0.62	-43.72
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(C)C1	REAL250005052412	0	41	-1.0	-44.72	336.73	1.22	-43.50
C#CCOCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052413	0	37	-1.0	-47.01	334.03	-0.69	-47.70
C#CCOC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052414	0	37	-1.0	-50.01	332.86	0.30	-49.71
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C(N)=O	REAL250005052415	0	38	-1.0	-54.25	322.74	-2.47	-56.72
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C2CC2)CC1	REAL250005052416	0	39	-1.0	-44.54	324.89	1.72	-42.82
COC1CC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052417	0	39	-1.0	-45.75	332.81	-0.99	-46.74
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@H]1C(N)=O	REAL250005052418	0	36	-1.0	-50.77	318.67	-3.90	-54.67
CC[C@@H](C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005052419	0	43	0.0	-59.75	338.54	0.47	-59.28
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CCC1	REAL250005052420	0	38	-1.0	-45.41	321.11	0.85	-44.56
CC[C@@H]1C[C@H]1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052421	0	38	-1.0	-44.89	326.00	0.93	-43.96
CC(C)CCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052422	0	43	-1.0	-44.96	354.78	1.56	-43.40
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005052423	0	34	-1.0	-55.21	307.73	0.58	-54.63
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCNC(N)=O	REAL250005052424	0	37	-1.0	-54.55	326.44	-5.75	-60.30
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSC=C1	REAL250005052425	0	31	-1.0	-46.23	294.58	-1.48	-47.71
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C1CCC1	REAL250005052426	0	41	-1.0	-44.45	338.57	1.41	-43.04
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC(C)C1	REAL250005052427	0	39	-1.0	-47.90	327.84	-1.13	-49.03
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CC2	REAL250005052428	0	36	-1.0	-45.28	315.67	0.97	-44.31
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CNC=N1	REAL250005052429	0	35	-1.0	-51.55	311.24	-0.61	-52.16
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CN=CN1	REAL250005052429	1	35	-1.0	-50.25	312.09	-0.81	-51.06
C=CCC(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052430	0	41	-1.0	-44.80	340.31	1.05	-43.75
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CCC2	REAL250005052431	0	39	-1.0	-44.74	330.54	1.44	-43.30
CC1=CNC=C1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052432	0	36	-1.0	-49.35	314.07	-0.42	-49.77
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)C=C1	REAL250005052433	0	35	-1.0	-49.46	313.72	-1.16	-50.62
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCCC1	REAL250005052434	0	38	-1.0	-45.63	322.68	0.64	-44.99
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1C	REAL250005052435	0	35	-1.0	-48.75	308.37	0.17	-48.58
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(=O)N(C)C	REAL250005052436	0	38	-1.0	-55.14	326.57	-0.31	-55.45
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C1CC1	REAL250005052437	0	39	-1.0	-44.79	336.80	1.74	-43.05
COCCC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052438	0	41	-1.0	-46.82	344.06	-0.90	-47.72
CCC(C)(CC)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052439	0	43	-1.0	-44.59	341.31	0.93	-43.66
COCC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052440	0	39	-1.0	-46.70	337.83	-0.92	-47.62
COCC(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052441	0	41	-1.0	-44.81	342.75	-0.85	-45.66
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCO1	REAL250005052442	0	36	-1.0	-48.70	308.71	-0.71	-49.41
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(F)F	REAL250005052443	0	34	-1.0	-46.47	306.87	-0.23	-46.70
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=CN1	REAL250005052444	0	33	-1.0	-47.95	301.66	-1.11	-49.06
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C)CC1	REAL250005052445	0	38	-1.0	-44.88	323.64	0.77	-44.11
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CCF)CC1	REAL250005052446	0	38	-1.0	-44.98	332.19	0.82	-44.16
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1COC2	REAL250005052447	0	37	-1.0	-47.92	319.13	-1.28	-49.20
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005052448	0	35	-1.0	-44.84	300.98	0.10	-44.74
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC=C1	REAL250005052449	0	33	-1.0	-49.87	295.34	-1.10	-50.97
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)C1CC1	REAL250005052450	0	41	-1.0	-44.45	340.59	1.55	-42.90
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSN=N1	REAL250005052451	0	30	-1.0	-47.45	290.08	-2.59	-50.04
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCCC1	REAL250005052452	0	41	-1.0	-44.60	334.04	1.13	-43.47
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CO1	REAL250005052453	0	31	-1.0	-47.10	287.11	-4.24	-51.34
CNC(=O)NCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052454	0	37	-1.0	-49.74	326.24	-4.93	-54.67
C=CCCOCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052455	0	39	-1.0	-47.98	341.60	0.42	-47.56
C=CCOC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052456	0	39	-1.0	-47.94	339.98	0.33	-47.61
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC(N)=O	REAL250005052457	0	38	-1.0	-54.76	331.89	-3.66	-58.42
CC1=NNC=C1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052458	0	35	-1.0	-48.83	308.30	-1.93	-50.76
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005052459	0	34	-1.0	-47.22	302.99	-3.25	-50.47
CC1=NNN=C1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052459	1	34	-1.0	-45.64	304.21	-3.33	-48.97
CCCC(OC)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052460	0	41	-1.0	-46.86	347.92	0.42	-46.44
C=C(C)C(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052461	0	41	-1.0	-44.74	337.93	0.86	-43.88
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CC(N)=O	REAL250005052462	0	38	-1.0	-47.79	325.73	-3.82	-51.61
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCNC1=O	REAL250005052463	0	36	-1.0	-49.73	313.35	-3.69	-53.42
C=CC(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052464	0	38	-1.0	-45.14	319.91	0.35	-44.79
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL250005052465	0	41	0.0	-60.06	334.63	0.53	-59.53
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@H+]1C	REAL250005052465	1	41	0.0	-59.86	328.28	0.00	-59.86
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCN1C	REAL250005052465	1	40	-1.0	-46.46	333.56	-1.82	-48.28
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005052466	0	35	-1.0	-44.98	304.61	0.16	-44.82
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCC1	REAL250005052467	0	38	-1.0	-44.83	317.11	0.56	-44.27
CCC(F)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052468	0	34	-1.0	-46.83	300.49	-0.46	-47.29
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCF	REAL250005052469	0	34	-1.0	-47.29	300.80	-0.37	-47.66
CC1=COC=C1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052470	0	35	-1.0	-48.02	310.34	-0.30	-48.32
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005052471	0	35	-1.0	-44.96	304.61	0.17	-44.79
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)C=CCC1	REAL250005052472	0	39	-1.0	-44.77	326.98	1.05	-43.72
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)N=N1	REAL250005052473	0	33	-1.0	-49.88	303.56	-3.24	-53.12
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005052474	0	35	-1.0	-48.55	308.02	-0.80	-49.35
CC(C)C(F)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052475	0	37	-1.0	-47.12	319.70	0.04	-47.08
C=CC(C)C(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052476	0	41	-1.0	-43.97	340.79	1.19	-42.78
CCC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005052477	0	41	-1.0	-44.55	338.40	1.17	-43.38
CC#CCCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052478	0	39	-1.0	-48.32	343.32	1.75	-46.57
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21	REAL250005052479	0	37	-1.0	-45.80	318.76	-1.13	-46.93
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC1CC1	REAL250005052480	0	41	-1.0	-45.24	347.32	1.84	-43.40
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1(C)C	REAL250005052481	0	41	-1.0	-44.48	336.21	0.93	-43.55
CC1=COC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005052482	0	35	-1.0	-46.25	314.22	-0.26	-46.51
C=CC(CC)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052483	0	41	-1.0	-44.73	344.26	1.32	-43.41
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C1CC1	REAL250005052484	0	41	-1.0	-45.12	334.29	1.19	-43.93
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1	REAL250005052485	0	39	-1.0	-44.94	327.14	1.34	-43.60
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CON=C1	REAL250005052486	0	34	-1.0	-48.88	307.70	-0.89	-49.77
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C(C)(C)C	REAL250005052487	0	43	-1.0	-43.59	338.18	0.99	-42.60
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNN=C1	REAL250005052488	0	31	-1.0	-45.82	285.62	-3.92	-49.74
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1	REAL250005052488	1	31	-1.0	-47.45	284.72	-3.86	-51.31
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(N)=O	REAL250005052489	0	33	-1.0	-49.34	302.67	-4.63	-53.97
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(N)=NN1	REAL250005052490	0	33	-1.0	-46.34	301.86	-2.32	-48.66
COC(=O)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052491	0	34	-1.0	-52.04	304.66	-0.32	-52.36
C#CCSCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052492	0	34	-1.0	-49.20	323.02	0.57	-48.63
CSC=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052493	0	33	-1.0	-45.47	308.34	-0.34	-45.81
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CCC1	REAL250005052494	0	39	-1.0	-44.40	324.47	-2.18	-46.58
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(N)=O	REAL250005052495	0	35	-1.0	-48.81	310.39	-4.44	-53.25
C=CCC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052496	0	39	-1.0	-45.11	338.22	1.29	-43.82
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC(F)F	REAL250005052497	0	32	-1.0	-48.09	297.03	-1.55	-49.64
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCS1	REAL250005052498	0	34	-1.0	-46.79	309.81	0.28	-46.51
CC1=NOC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052499	0	36	-1.0	-53.99	318.08	-0.63	-54.62
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)NC1CC1	REAL250005052500	0	36	-1.0	-46.06	321.59	-2.72	-48.78
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(N)=NN1	REAL250005052501	0	34	-1.0	-47.63	306.04	-3.76	-51.39
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCSC1	REAL250005052502	0	36	-1.0	-46.18	315.25	0.36	-45.82
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005052503	0	33	-1.0	-48.99	291.60	-1.75	-50.74
CCCC(O)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052504	0	41	-1.0	-47.74	346.38	-1.36	-49.10
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CC#N	REAL250005052505	0	38	-1.0	-46.39	328.18	0.14	-46.25
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(Cl)CC1	REAL250005052506	0	32	-1.0	-43.35	298.70	0.03	-43.32
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCO1	REAL250005052507	0	34	-1.0	-45.31	300.81	-1.38	-46.69
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)COC1	REAL250005052508	0	37	-1.0	-49.40	316.29	-4.88	-54.28
CC(C)=CCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052509	0	41	-1.0	-45.01	345.19	1.43	-43.58
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005052510	0	33	-1.0	-45.70	290.07	-2.78	-48.48
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(C)O1	REAL250005052511	0	39	-1.0	-48.81	329.97	0.06	-48.75
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNC=C1N	REAL250005052512	0	34	-1.0	-47.87	303.29	-4.46	-52.33
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(N)C=NN1	REAL250005052512	1	34	-1.0	-46.51	302.16	-4.43	-50.94
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005052513	0	33	-1.0	-48.64	297.39	-4.02	-52.66
CC1=NNC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005052514	0	34	-1.0	-45.91	307.72	-1.95	-47.86
CC1=NN=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005052514	1	34	-1.0	-49.83	307.92	-1.70	-51.53
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC(=O)N1	REAL250005052515	0	32	-1.0	-51.11	295.85	-3.89	-55.00
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC(=O)[N-]1	REAL250005052515	1	31	-2.0	-92.16	293.72	-5.56	-97.72
CC=CC(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052516	0	36	-1.0	-45.80	318.43	-2.01	-47.81
CCCC[C@H](C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052517	0	43	-1.0	-44.56	353.38	1.59	-42.97
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005052518	0	40	0.0	-60.51	326.40	-0.14	-60.65
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005052518	1	39	-1.0	-45.05	320.37	-2.56	-47.61
CCC=C(F)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052519	0	35	-1.0	-44.17	311.56	0.16	-44.01
CCC=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052520	0	35	-1.0	-45.29	307.37	0.11	-45.18
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CNC(=O)C1	REAL250005052521	0	36	-1.0	-50.10	313.24	-3.69	-53.79
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NON=C1N	REAL250005052522	0	32	-1.0	-44.64	295.16	-3.24	-47.88
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CNC(=O)N1	REAL250005052523	0	35	-1.0	-54.14	308.95	-5.84	-59.98
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CS1	REAL250005052524	0	31	-1.0	-46.19	295.26	-1.81	-48.00
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCN=[N+]=[N-]	REAL250005052525	0	33	-1.0	-45.16	302.84	-4.66	-49.82
C#CCOCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052526	0	34	-1.0	-50.67	313.08	-0.41	-51.08
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NN=CO1	REAL250005052527	0	33	-1.0	-55.08	302.84	-6.11	-61.19
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCS1	REAL250005052528	0	36	-1.0	-47.88	317.13	0.36	-47.52
COC(C)(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052529	0	41	-1.0	-47.16	335.26	-0.02	-47.18
CC(O)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052530	0	38	-1.0	-45.52	326.02	-3.01	-48.53
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=CC=C1	REAL250005052531	0	36	-1.0	-48.87	318.88	1.07	-47.80
C#CCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052532	0	33	-1.0	-45.63	300.00	0.01	-45.62
CC(=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005052533	0	41	-1.0	-44.34	340.69	1.29	-43.05
COC1(CC(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052534	0	39	-1.0	-46.98	334.21	-0.99	-47.97
CC[C@H](C)[C@H](O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052535	0	41	-1.0	-44.02	336.18	-2.13	-46.15
CC=CC=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052536	0	36	-1.0	-45.50	321.45	0.77	-44.73
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=NN1C	REAL250005052537	0	34	-1.0	-46.35	304.18	-0.52	-46.87
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC[C@@H](O)C1	REAL250005052538	0	39	-1.0	-47.19	326.92	-2.77	-49.96
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC=CCC1	REAL250005052539	0	39	-1.0	-44.69	326.06	1.18	-43.51
COCC=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052540	0	36	-1.0	-47.34	319.64	-1.61	-48.95
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CC2C1	REAL250005052541	0	39	-1.0	-44.76	325.13	1.27	-43.49
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CC(C)C1	REAL250005052542	0	40	-1.0	-46.45	336.20	-2.34	-48.79
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CC(C)C1	REAL250005052542	1	41	0.0	-63.04	339.57	0.54	-62.50
CCC(C)(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052543	0	38	-1.0	-43.99	320.02	-3.15	-47.14
C#CCC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052544	0	36	-1.0	-45.07	317.86	0.58	-44.49
C=CC(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052545	0	33	-1.0	-46.02	296.72	-2.87	-48.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCN=[N+]=[N-]	REAL250005052546	0	36	-1.0	-47.06	324.35	-3.85	-50.91
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1OCC1(C)C	REAL250005052547	0	39	-1.0	-47.51	326.93	-0.38	-47.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC1CC2	REAL250005052548	0	36	-1.0	-45.00	311.65	0.71	-44.29
CCCC(C)=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052549	0	41	-1.0	-44.30	345.37	1.57	-42.73
C=C[C@H](C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052550	0	38	-1.0	-44.79	323.72	0.63	-44.16
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CC1	REAL250005052551	0	36	-1.0	-45.24	318.26	0.93	-44.31
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005052552	0	34	-1.0	-46.30	305.04	-0.72	-47.02
CC(C)CC(=O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052553	0	39	-1.0	-44.43	334.00	0.05	-44.38
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C#N)CC1C	REAL250005052554	0	36	-1.0	-44.69	318.42	0.45	-44.24
CCC(C#N)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052555	0	35	-1.0	-45.67	312.32	-0.33	-46.00
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CNC(=O)O1	REAL250005052556	0	34	-1.0	-54.97	305.15	-4.22	-59.19
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCC21	REAL250005052557	0	36	-1.0	-44.97	305.93	0.84	-44.13
C=C1CCC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052558	0	36	-1.0	-44.90	312.98	0.51	-44.39
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005052559	0	38	-1.0	-44.97	321.09	0.71	-44.26
CC[N@H+](C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052560	0	40	0.0	-62.82	326.02	0.13	-62.69
CC[N@@H+](C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052560	1	40	0.0	-62.94	326.03	0.12	-62.82
CCN(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052560	1	39	-1.0	-45.60	324.19	-2.14	-47.74
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2(C1)N=N2	REAL250005052561	0	35	-1.0	-45.47	312.34	-5.00	-50.47
CC(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052562	0	32	-1.0	-45.49	283.51	-3.40	-48.89
CC(=O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052563	0	30	-1.0	-44.90	275.45	-2.13	-47.03
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1N	REAL250005052564	0	34	-1.0	-49.21	302.12	-3.47	-52.68
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)NC(N)=O	REAL250005052565	0	37	-1.0	-50.18	323.87	-5.51	-55.69
CCOC(=O)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052566	0	37	-1.0	-51.83	326.52	0.60	-51.23
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)N[N-]1	REAL250005052567	0	32	-2.0	-89.95	298.55	-4.56	-94.51
CC1=CC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005052568	0	36	-1.0	-49.69	317.25	-0.53	-50.22
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005052569	0	39	-1.0	-44.78	326.27	1.31	-43.47
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC#N	REAL250005052570	0	35	-1.0	-52.23	315.07	0.01	-52.22
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C#N)CC1	REAL250005052571	0	33	-1.0	-45.31	302.49	-0.25	-45.56
C=C1CC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052572	0	36	-1.0	-44.85	312.96	0.52	-44.33
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](O)C2	REAL250005052573	0	37	-1.0	-48.55	323.05	-2.69	-51.24
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)CO2	REAL250005052574	0	37	-1.0	-46.20	316.31	-1.29	-47.49
CCC=CC=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052575	0	39	-1.0	-45.42	342.55	1.53	-43.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C(N)=O	REAL250005052576	0	37	-1.0	-51.51	322.78	-3.77	-55.28
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNC(=O)[N-]1	REAL250005052577	0	31	-2.0	-93.18	293.04	-6.04	-99.22
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005052578	0	32	-1.0	-43.67	289.42	-0.44	-44.11
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(O)C1CC1	REAL250005052579	0	39	-1.0	-43.87	328.84	-2.15	-46.02
CC1=NC=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005052580	0	34	-1.0	-46.51	309.10	-3.50	-50.01
COC(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052581	0	38	-1.0	-47.81	317.17	-0.72	-48.53
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CC#N	REAL250005052582	0	35	-1.0	-46.97	311.44	-0.23	-47.20
CCC1CC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052583	0	38	-1.0	-44.50	320.54	0.95	-43.55
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)C(C)(C)O	REAL250005052584	0	41	-1.0	-46.76	332.52	-1.47	-48.23
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC(=O)O1	REAL250005052585	0	33	-1.0	-55.27	301.30	-0.86	-56.13
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)OC2	REAL250005052586	0	37	-1.0	-46.52	316.99	-1.50	-48.02
CC(O)C1CC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052587	0	39	-1.0	-46.46	329.18	-0.91	-47.37
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](C)C2	REAL250005052588	0	39	-1.0	-45.14	332.63	1.35	-43.79
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005052589	0	34	-1.0	-55.21	307.73	0.58	-54.63
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C[NH+](C)C	REAL250005052590	0	43	0.0	-64.85	346.71	0.72	-64.13
C=CC(C)(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052591	0	36	-1.0	-45.02	313.38	-3.11	-48.13
CCC(C)(CO)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052592	0	41	-1.0	-47.54	335.28	-2.81	-50.35
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CC1	REAL250005052593	0	41	0.0	-64.28	332.39	0.36	-63.92
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(N(C)C)CC1	REAL250005052593	1	40	-1.0	-44.41	332.93	-2.25	-46.66
CCCC=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052594	0	38	-1.0	-45.14	328.87	0.89	-44.25
CC=C(F)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052595	0	32	-1.0	-44.25	291.26	-0.58	-44.83
CCC(C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005052596	0	43	-1.0	-44.78	349.33	1.19	-43.59
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005052597	0	40	0.0	-62.72	326.46	-0.14	-62.86
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)N(C)C	REAL250005052597	1	39	-1.0	-45.08	320.06	-2.59	-47.67
CC(C)C(CO)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052598	0	41	-1.0	-45.45	334.64	-2.25	-47.70
CCOC=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052599	0	36	-1.0	-45.92	319.35	-1.02	-46.94
CCN1CCC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052600	0	40	-1.0	-46.88	336.29	-2.42	-49.30
CC[N@@H+]1CCC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052600	1	41	0.0	-61.31	333.14	0.18	-61.13
CC[N@H+]1CCC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052600	1	41	0.0	-60.27	332.86	0.09	-60.18
CCC(C)=C(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052601	0	41	-1.0	-44.40	337.01	1.44	-42.96
COC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005052602	0	39	-1.0	-44.15	326.11	-0.88	-45.03
C=CCCC(=O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052603	0	37	-1.0	-44.38	330.08	0.02	-44.36
CC(O)CCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052604	0	41	-1.0	-47.50	347.52	-2.24	-49.74
CC(=O)OCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052605	0	34	-1.0	-49.23	308.77	-0.32	-49.55
CC(=O)NCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052606	0	38	-1.0	-54.03	333.50	-2.96	-56.99
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC(=O)N1	REAL250005052607	0	33	-1.0	-52.84	299.73	-4.33	-57.17
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)[NH+](C)C	REAL250005052608	0	43	0.0	-64.64	335.76	0.60	-64.04
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)(F)CO	REAL250005052609	0	32	-1.0	-45.95	294.09	-3.06	-49.01
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1(C)CC1	REAL250005052610	0	37	-1.0	-46.66	332.72	1.45	-45.21
CC(=O)C=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052611	0	34	-1.0	-47.58	309.67	-0.77	-48.35
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC1	REAL250005052612	0	36	-1.0	-48.67	317.65	-0.16	-48.83
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1	REAL250005052613	0	32	-1.0	-48.14	291.16	-2.23	-50.37
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CCC1	REAL250005052614	0	39	-1.0	-45.07	334.69	1.46	-43.61
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN=CS1	REAL250005052615	0	30	-1.0	-48.04	291.28	-2.91	-50.95
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)CO1	REAL250005052616	0	35	-1.0	-49.33	311.81	-1.65	-50.98
CC(C)NC(=O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052617	0	38	-1.0	-46.14	332.11	-2.77	-48.91
CC1=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005052618	0	37	-1.0	-45.01	316.30	-0.60	-45.61
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1C	REAL250005052619	0	35	-1.0	-48.32	309.42	-0.49	-48.81
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CO	REAL250005052620	0	35	-1.0	-45.40	302.85	-3.88	-49.28
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CON=C1	REAL250005052621	0	31	-1.0	-46.81	286.43	-1.55	-48.36
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCO	REAL250005052622	0	38	-1.0	-46.76	327.13	-3.07	-49.83
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C1CC1	REAL250005052623	0	34	-1.0	-44.87	306.04	-0.53	-45.40
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1COC(=O)N1	REAL250005052624	0	34	-1.0	-53.92	305.14	-4.67	-58.59
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC1	REAL250005052625	0	36	-1.0	-48.17	314.30	-3.21	-51.38
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1F	REAL250005052626	0	35	-1.0	-44.98	306.08	0.10	-44.88
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)C1CCC1	REAL250005052627	0	38	-1.0	-46.57	324.76	0.78	-45.79
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(C)O1	REAL250005052628	0	39	-1.0	-48.09	333.18	-0.36	-48.45
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CF	REAL250005052629	0	35	-1.0	-46.88	311.19	0.30	-46.58
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)=C1CCC1	REAL250005052630	0	36	-1.0	-44.88	317.50	0.82	-44.06
CCC(CO)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052631	0	38	-1.0	-44.52	320.22	-3.16	-47.68
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(O)C1CC1	REAL250005052632	0	39	-1.0	-47.38	335.67	-1.40	-48.78
CC(=CC1CC1)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052633	0	39	-1.0	-45.22	331.94	1.57	-43.65
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@@H]1C#N	REAL250005052634	0	33	-1.0	-53.70	300.19	-0.19	-53.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CN=CO1	REAL250005052635	0	34	-1.0	-51.03	308.14	-3.44	-54.47
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCC1	REAL250005052636	0	34	-1.0	-45.63	299.41	-1.41	-47.04
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)(C)O	REAL250005052637	0	41	-1.0	-45.39	342.61	-2.48	-47.87
CC1=CC=C(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005052638	0	36	-1.0	-46.87	317.13	-0.61	-47.48
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005052639	0	33	-1.0	-44.86	291.54	-3.57	-48.43
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005052640	0	33	-1.0	-45.89	293.71	0.08	-45.81
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC(C)C1	REAL250005052641	0	36	-1.0	-45.90	317.83	-1.64	-47.54
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CF	REAL250005052642	0	34	-1.0	-44.35	298.06	-0.47	-44.82
CC(Cl)=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052643	0	32	-1.0	-46.22	298.60	-0.14	-46.36
CC=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052644	0	32	-1.0	-45.40	286.29	-0.65	-46.05
CCC(F)(F)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052645	0	34	-1.0	-43.40	304.47	-0.36	-43.76
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1F	REAL250005052646	0	35	-1.0	-44.05	307.18	0.19	-43.86
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC(=O)O1	REAL250005052647	0	35	-1.0	-54.06	311.05	-0.02	-54.08
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005052648	0	32	-1.0	-47.46	292.47	-0.54	-48.00
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)CC1CC1	REAL250005052649	0	38	-1.0	-46.58	332.06	1.09	-45.49
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1COC(=O)N1	REAL250005052650	0	34	-1.0	-54.16	305.09	-4.66	-58.82
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCC#N	REAL250005052651	0	38	-1.0	-49.52	336.56	0.79	-48.73
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CC1	REAL250005052652	0	36	-1.0	-47.97	315.58	-3.34	-51.31
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NO1	REAL250005052653	0	31	-1.0	-46.32	286.81	-1.54	-47.86
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(=O)N1	REAL250005052655	0	36	-1.0	-52.72	314.99	-3.37	-56.09
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005052656	0	32	-1.0	-45.49	283.50	-3.40	-48.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(F)O1	REAL250005052657	0	32	-1.0	-44.83	298.75	-0.83	-45.66
CON=CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052658	0	32	-1.0	-48.29	295.18	-2.68	-50.97
C#CCC(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052659	0	39	-1.0	-44.91	334.61	1.03	-43.88
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(F)C1	REAL250005052660	0	38	-1.0	-45.29	326.89	0.70	-44.59
CCC(C)(OC)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052661	0	41	-1.0	-47.42	335.70	-0.07	-47.49
CC(C)[C@H](O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052662	0	38	-1.0	-44.09	318.39	-2.75	-46.84
C#CC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052663	0	34	-1.0	-44.84	308.92	0.58	-44.26
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC(=O)O1	REAL250005052664	0	35	-1.0	-53.43	311.21	0.06	-53.37
C=CC=CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052665	0	36	-1.0	-46.00	320.88	0.70	-45.30
C#CC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005052666	0	37	-1.0	-44.68	324.85	1.01	-43.67
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL250005052667	0	41	0.0	-59.88	328.26	0.01	-59.87
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL250005052667	1	41	0.0	-60.34	333.98	0.40	-59.94
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCN1C	REAL250005052667	1	40	-1.0	-46.05	333.51	-1.81	-47.86
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CCO1	REAL250005052668	0	37	-1.0	-47.61	318.78	-0.03	-47.64
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(C)(C)C1	REAL250005052669	0	39	-1.0	-45.33	335.51	1.23	-44.10
C#C[C@H]1C[C@H]1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052670	0	34	-1.0	-47.34	306.09	0.67	-46.67
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(N=[N+]=[N-])CC1	REAL250005052671	0	34	-1.0	-43.61	306.43	-3.41	-47.02
CCC(CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)OC	REAL250005052672	0	41	-1.0	-45.36	341.42	-0.03	-45.39
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=N1	REAL250005052673	0	31	-1.0	-46.97	295.34	-1.96	-48.93
CC=C(CC)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052674	0	38	-1.0	-44.97	322.06	0.75	-44.22
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC12CC(C1)C2	REAL250005052675	0	39	-1.0	-45.53	326.31	1.44	-44.09
CCC(C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005052676	0	41	-1.0	-47.70	336.97	-2.47	-50.17
COC(F)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052677	0	32	-1.0	-48.53	291.33	-2.42	-50.95
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C#N)CCC1	REAL250005052678	0	36	-1.0	-44.38	318.41	0.16	-44.22
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCCC1	REAL250005052679	0	39	-1.0	-45.09	328.13	1.33	-43.76
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C#N	REAL250005052680	0	38	-1.0	-45.91	325.19	0.23	-45.68
COCC(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052681	0	36	-1.0	-47.81	316.86	-4.09	-51.90
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC1(F)F	REAL250005052682	0	32	-1.0	-45.52	296.22	-0.34	-45.86
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C#N	REAL250005052683	0	33	-1.0	-46.54	304.22	-0.08	-46.62
C=C(C)CCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052684	0	41	-1.0	-45.39	349.87	1.49	-43.90
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005052685	0	36	-1.0	-47.90	310.89	-3.41	-51.31
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1(C)C	REAL250005052686	0	41	-1.0	-45.27	343.67	1.41	-43.86
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(Cl)CC1	REAL250005052687	0	33	-1.0	-47.12	310.77	0.59	-46.53
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](F)C2	REAL250005052688	0	36	-1.0	-48.25	318.29	0.80	-47.45
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC(=O)O1	REAL250005052689	0	32	-1.0	-50.83	297.01	-3.69	-54.52
CC(C)[C@@H]1C[C@H]1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052690	0	41	-1.0	-44.75	345.08	1.49	-43.26
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COCCO	REAL250005052691	0	36	-1.0	-50.88	318.66	-4.08	-54.96
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CF	REAL250005052692	0	37	-1.0	-44.10	316.15	0.04	-44.06
CC(C)[C@@H](O)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052693	0	41	-1.0	-47.35	339.31	-1.41	-48.76
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CO	REAL250005052694	0	38	-1.0	-45.31	320.50	-3.25	-48.56
C=CCC(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052695	0	38	-1.0	-44.81	324.89	0.64	-44.17
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1C	REAL250005052696	0	41	-1.0	-44.67	331.81	1.20	-43.47
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250005052697	0	39	-1.0	-45.03	325.90	1.27	-43.76
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(F)C1	REAL250005052698	0	38	-1.0	-43.97	321.09	0.57	-43.40
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005052699	0	35	-1.0	-44.98	304.61	0.16	-44.82
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005052700	0	35	-1.0	-44.06	303.19	-3.85	-47.91
CSC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052701	0	36	-1.0	-44.24	327.28	0.60	-43.64
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOCC1	REAL250005052702	0	33	-1.0	-46.18	296.75	-2.41	-48.59
CC(C#N)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052703	0	35	-1.0	-46.76	310.26	-0.23	-46.99
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)C1CC1	REAL250005052704	0	41	0.0	-61.25	337.69	0.86	-60.39
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)C1CC1	REAL250005052704	1	41	0.0	-60.33	337.56	0.86	-59.47
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C1CC1	REAL250005052704	1	40	-1.0	-45.71	331.58	-1.54	-47.25
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCOC1CC1	REAL250005052705	0	39	-1.0	-45.68	338.60	-0.46	-46.14
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCCO	REAL250005052706	0	41	-1.0	-47.83	348.63	-2.28	-50.11
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CCO	REAL250005052707	0	38	-1.0	-48.03	321.81	-3.31	-51.34
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)=CC1CC1	REAL250005052708	0	36	-1.0	-44.20	322.80	0.98	-43.22
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC(F)C1	REAL250005052709	0	38	-1.0	-48.17	327.23	0.86	-47.31
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)CF	REAL250005052710	0	32	-1.0	-46.47	289.81	-3.24	-49.71
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CCO)CC1	REAL250005052711	0	39	-1.0	-45.86	335.78	-2.69	-48.55
CC(C)C(C)(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052712	0	41	-1.0	-44.34	334.75	-2.40	-46.74
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCC1	REAL250005052713	0	36	-1.0	-44.71	307.54	-3.04	-47.75
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CC1	REAL250005052714	0	36	-1.0	-45.68	315.49	-1.87	-47.55
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NN=C1	REAL250005052715	0	34	-1.0	-55.43	308.20	1.50	-53.93
C=C(C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052716	0	35	-1.0	-45.17	307.24	-0.08	-45.25
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C#N	REAL250005052717	0	35	-1.0	-50.12	310.54	-0.48	-50.60
CCSCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052718	0	35	-1.0	-47.09	317.24	0.05	-47.04
CC(=O)OCCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052719	0	37	-1.0	-50.51	329.75	-0.30	-50.81
CC(C)=C(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052720	0	38	-1.0	-44.64	317.02	0.75	-43.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1(C)N=N1	REAL250005052721	0	37	-1.0	-45.01	326.37	-4.64	-49.65
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052722	0	31	-2.0	-94.70	293.29	-4.08	-98.78
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1COC1	REAL250005052723	0	37	-1.0	-49.09	325.08	-2.37	-51.46
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@]12C[C@@H]1[C@H](C)C2	REAL250005052724	0	39	-1.0	-44.98	331.33	1.31	-43.67
CNC(=O)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052725	0	35	-1.0	-55.24	308.80	-2.24	-57.48
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN=CN1C	REAL250005052726	0	34	-1.0	-50.81	304.57	0.14	-50.67
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCO[C@H]1C	REAL250005052727	0	39	-1.0	-47.03	324.98	-1.26	-48.29
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(F)C1	REAL250005052728	0	35	-1.0	-47.66	306.07	0.10	-47.56
CCC(O)C(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052729	0	41	-1.0	-47.38	338.04	-1.37	-48.75
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC(=O)N1	REAL250005052730	0	36	-1.0	-52.41	318.06	-3.95	-56.36
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CCC1	REAL250005052731	0	39	-1.0	-45.78	327.05	-1.04	-46.82
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C[NH+](C)C1	REAL250005052732	0	41	0.0	-63.65	339.74	0.27	-63.38
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(O)C1	REAL250005052733	0	39	-1.0	-47.56	330.36	-2.81	-50.37
C=CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052734	0	32	-1.0	-45.59	285.63	-0.73	-46.32
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005052735	0	37	0.0	-63.78	308.30	-0.55	-64.33
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005052735	1	36	-1.0	-45.57	306.21	-2.93	-48.50
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC#N	REAL250005052736	0	29	-1.0	-53.05	272.18	-1.59	-54.64
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005052737	0	32	-1.0	-44.44	290.02	-0.41	-44.85
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005052738	0	40	0.0	-60.51	326.40	-0.14	-60.65
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005052738	1	39	-1.0	-45.05	320.37	-2.56	-47.61
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005052739	0	31	-1.0	-44.96	279.30	-1.13	-46.09
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=NN1	REAL250005052740	0	32	-1.0	-46.32	297.03	-2.67	-48.99
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=CCC1	REAL250005052741	0	36	-1.0	-44.74	308.28	0.54	-44.20
CCC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005052742	0	39	-1.0	-45.78	325.60	-1.27	-47.05
C#CC(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052743	0	36	-1.0	-47.19	316.97	0.40	-46.79
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CNC(=O)N1	REAL250005052744	0	35	-1.0	-52.83	308.95	-5.84	-58.67
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1C	REAL250005052745	0	40	-1.0	-46.31	336.53	-2.35	-48.66
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CCC1C	REAL250005052745	1	41	0.0	-62.18	339.55	0.57	-61.61
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CCC1C	REAL250005052745	1	41	0.0	-61.00	334.08	0.26	-60.74
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC[NH+](C)C	REAL250005052746	0	41	0.0	-66.47	344.26	0.67	-65.80
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCSC1	REAL250005052747	0	34	-1.0	-45.47	308.32	0.32	-45.15
CO[C@H](C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052748	0	35	-1.0	-47.82	305.22	-1.20	-49.02
CC(=O)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052749	0	36	-1.0	-47.16	317.41	-0.59	-47.75
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1O	REAL250005052750	0	39	-1.0	-47.31	326.01	-2.58	-49.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005052751	0	32	-1.0	-46.55	283.51	-3.40	-49.95
CC[NH+](CC)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052752	0	43	0.0	-61.94	344.40	0.82	-61.12
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1	REAL250005052753	0	37	-1.0	-45.91	314.07	-3.34	-49.25
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005052753	1	38	0.0	-63.11	318.39	-0.13	-63.24
CC(C)C(O)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052754	0	41	-1.0	-47.30	341.56	-1.63	-48.93
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC(=O)C1	REAL250005052755	0	35	-1.0	-49.59	308.87	-0.87	-50.46
CC(O)C(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052756	0	38	-1.0	-47.46	317.03	-2.19	-49.65
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCOC1	REAL250005052757	0	37	-1.0	-47.18	314.91	-5.01	-52.19
CCC(C)(C#N)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052758	0	38	-1.0	-44.58	327.30	0.01	-44.57
C=C1CC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052759	0	33	-1.0	-45.10	296.80	0.07	-45.03
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC=CC1	REAL250005052760	0	39	-1.0	-45.49	328.75	1.25	-44.24
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1OCCO1	REAL250005052761	0	37	-1.0	-47.78	319.84	-1.82	-49.60
COC(OC)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052762	0	36	-1.0	-48.80	311.01	-2.24	-51.04
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C#N)CC1	REAL250005052763	0	36	-1.0	-54.57	320.70	0.35	-54.22
COC(=O)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052764	0	37	-1.0	-47.03	328.17	-0.48	-47.51
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCOC1	REAL250005052765	0	37	-1.0	-45.87	315.42	-1.10	-46.97
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C(C)(C)C	REAL250005052766	0	41	-1.0	-45.52	333.44	-0.90	-46.42
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)COC1	REAL250005052767	0	36	-1.0	-45.51	308.40	-2.16	-47.67
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCCO1	REAL250005052768	0	37	-1.0	-45.64	317.10	-0.54	-46.18
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCCO1	REAL250005052769	0	39	-1.0	-44.51	326.79	-1.05	-45.56
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N1	REAL250005052770	0	33	-1.0	-51.12	297.59	-4.82	-55.94
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC(=O)N1	REAL250005052771	0	33	-1.0	-52.00	297.17	-4.92	-56.92
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCCC1	REAL250005052772	0	39	-1.0	-45.14	324.11	1.27	-43.87
CCC[C@H](O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052773	0	38	-1.0	-46.03	325.54	-1.80	-47.83
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(C)C1	REAL250005052774	0	41	-1.0	-44.59	332.67	1.01	-43.58
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)N1CCC1	REAL250005052775	0	40	-1.0	-45.61	332.31	-2.63	-48.24
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)[NH+]1CCC1	REAL250005052775	1	41	0.0	-62.33	338.30	0.38	-61.95
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(F)F	REAL250005052776	0	32	-1.0	-48.59	294.71	-0.30	-48.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CNN=C1	REAL250005052777	0	35	-1.0	-48.83	312.57	-1.82	-50.65
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(=O)C1	REAL250005052778	0	37	-1.0	-46.55	320.06	-0.36	-46.91
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CNC=C1	REAL250005052779	0	36	-1.0	-48.82	317.44	-0.40	-49.22
CCCC(C)(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052780	0	41	-1.0	-43.91	341.52	-2.39	-46.30
CCOC(C)(C)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052781	0	41	-1.0	-47.82	339.02	0.20	-47.62
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC(=O)C1	REAL250005052782	0	37	-1.0	-49.50	323.35	-0.12	-49.62
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CSC1	REAL250005052783	0	36	-1.0	-47.71	320.40	0.41	-47.30
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCC1	REAL250005052784	0	35	-1.0	-45.20	305.81	0.04	-45.16
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1	REAL250005052785	0	32	-1.0	-48.74	290.03	-1.42	-50.16
CC1=NOC(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005052786	0	33	-1.0	-47.52	303.64	-3.48	-51.00
CCOC(=O)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052787	0	37	-1.0	-51.83	326.52	0.60	-51.23
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)C1	REAL250005052788	0	34	-1.0	-47.39	302.17	-0.91	-48.30
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=CN=N1	REAL250005052789	0	34	-1.0	-54.77	306.79	-2.15	-56.92
C=CC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005052790	0	39	-1.0	-44.46	323.12	1.58	-42.88
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)COC1	REAL250005052791	0	34	-1.0	-47.36	298.31	-5.29	-52.65
CCC(C)C(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052792	0	41	-1.0	-44.03	336.18	-2.13	-46.16
CC(C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005052793	0	36	-1.0	-45.93	315.48	0.98	-44.95
CC1=CC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052794	0	33	-1.0	-46.29	298.24	0.22	-46.07
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)N(C)C	REAL250005052795	0	35	-1.0	-46.07	304.84	-2.41	-48.48
CC(=O)C1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052796	0	37	-1.0	-47.18	329.41	-0.15	-47.33
CCCC(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052797	0	38	-1.0	-45.13	325.50	-1.79	-46.92
CCCCC(O)C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052798	0	41	-1.0	-45.98	347.00	-1.01	-46.99
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1CC1	REAL250005052799	0	36	-1.0	-46.91	327.82	0.86	-46.05
CCC(O)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052800	0	38	-1.0	-47.57	324.89	-2.14	-49.71
CNC(=O)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052801	0	38	-1.0	-49.07	332.33	-2.96	-52.03
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCF	REAL250005052802	0	37	-1.0	-45.75	322.30	0.41	-45.34
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSN=C1	REAL250005052803	0	31	-1.0	-46.27	294.00	-1.32	-47.59
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(=O)C1	REAL250005052804	0	37	-1.0	-48.79	319.72	-0.29	-49.08
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC(=O)N1	REAL250005052805	0	33	-1.0	-52.68	297.17	-4.92	-57.60
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005052806	0	34	-1.0	-55.21	307.73	0.58	-54.63
COC1(C(=O)NC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005052807	0	36	-1.0	-46.20	311.21	-0.74	-46.94
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CSC1	REAL250005052808	0	33	-1.0	-45.62	299.31	-0.34	-45.96
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(N)O1	REAL250005052809	0	33	-1.0	-47.05	302.26	-6.16	-53.21
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(CO)CC1	REAL250005052810	0	39	-1.0	-45.85	334.16	-2.59	-48.44
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC=CO1	REAL250005052811	0	37	-1.0	-47.13	318.31	0.38	-46.75
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCCC1	REAL250005052812	0	39	-1.0	-44.80	323.92	-2.41	-47.21
CCC1(C(=O)NCC(C)NC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005052813	0	39	-1.0	-45.82	325.61	-1.25	-47.07
CC(CNC(=O)C1(C)CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052814	0	39	-1.0	-44.99	326.79	-1.05	-46.04
CC(CNC(=O)C1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052815	0	33	-1.0	-49.93	297.67	-4.56	-54.49
CC(CNC(=O)[C@H]1CCO[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052816	0	39	-1.0	-45.56	323.35	-1.22	-46.78
CC(CNC(=O)C1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052817	0	35	-1.0	-44.36	305.65	0.11	-44.25
CCC(O)C(C)C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052818	0	41	-1.0	-45.95	340.30	-1.36	-47.31
CC(CNC(=O)CC1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052819	0	36	-1.0	-50.51	318.06	-3.94	-54.45
CC(CNC(=O)C(O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052820	0	39	-1.0	-43.96	329.31	-1.24	-45.20
CC(CNC(=O)C1=CC=NO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052821	0	31	-1.0	-46.70	286.81	-1.52	-48.22
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052822	0	32	-1.0	-47.27	276.18	0.08	-47.19
COCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052823	0	36	-1.0	-46.62	309.83	-0.85	-47.47
O=C(NC1CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005052824	0	33	-1.0	-46.83	286.28	0.78	-46.05
O=C(NC1CCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005052825	0	36	-1.0	-46.70	301.20	1.29	-45.41
O=C(NC1CCN(C(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005052826	0	39	-1.0	-46.83	315.00	1.75	-45.08
O=C(CC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052827	0	36	-1.0	-47.10	306.03	1.59	-45.51
CC(C)(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052828	0	35	-1.0	-45.44	295.48	0.46	-44.98
CC(F)(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052829	0	32	-1.0	-43.88	284.68	0.07	-43.81
COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052830	0	33	-1.0	-55.23	289.04	-0.55	-55.78
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052831	0	35	-1.0	-47.01	297.67	0.84	-46.17
O=C(NC1CCN(C(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005052832	0	33	-1.0	-50.81	291.89	0.42	-50.39
CC(=O)NCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052833	0	36	-1.0	-48.52	314.81	-2.27	-50.79
CC(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052834	0	38	-1.0	-46.58	314.40	1.43	-45.15
CC1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052835	0	36	-1.0	-46.94	305.96	1.45	-45.49
CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052836	0	36	-1.0	-55.33	310.89	0.41	-54.92
CC(C)=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052837	0	36	-1.0	-50.99	305.01	1.33	-49.66
O=C(NC1CCN(C(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005052838	0	37	-1.0	-50.53	308.43	0.51	-50.02
CSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052839	0	33	-1.0	-54.20	299.38	0.50	-53.70
CSCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052840	0	36	-1.0	-46.23	320.89	1.32	-44.91
CC(C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052841	0	41	-1.0	-46.93	336.72	2.13	-44.80
O=C(NC1CCN(C(=O)C2=CC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005052842	0	34	-1.0	-53.90	292.93	0.32	-53.58
O=C(NC1CCN(C(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005052843	0	33	-1.0	-47.34	288.93	0.03	-47.31
CCCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052844	0	41	-1.0	-47.03	340.67	2.40	-44.63
CC(C)(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052845	0	41	-1.0	-45.78	329.35	1.96	-43.82
CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052846	0	38	-1.0	-47.11	319.15	1.61	-45.50
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052847	0	35	-1.0	-46.95	295.48	0.57	-46.38
CCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052848	0	38	-1.0	-46.88	313.99	1.21	-45.67
CCC(CC)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052849	0	41	-1.0	-46.70	333.31	1.85	-44.85
O=C(NC1CCN(C(=O)C2=NNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005052850	0	33	-1.0	-52.89	290.46	-0.98	-53.87
O=C(NC1CCN(C(=O)C2=CC=NN2)C1)C1=CC(=O)[N-]O1	REAL250005052850	1	33	-1.0	-46.29	287.87	-1.16	-47.45
CSC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052851	0	36	-1.0	-49.02	314.87	0.95	-48.07
CCOC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052852	0	39	-1.0	-50.09	325.72	0.92	-49.17
O=C(NC1CCN(C(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005052853	0	33	-1.0	-48.21	287.33	-1.60	-49.81
COCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052854	0	39	-1.0	-49.68	331.33	-0.10	-49.78
O=C(NC1CCN(C(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005052855	0	32	-1.0	-51.11	287.37	-0.28	-51.39
CCC=C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052856	0	39	-1.0	-47.53	316.56	1.58	-45.95
COC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052857	0	36	-1.0	-50.15	303.75	-0.06	-50.21
CC(C)OCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052858	0	39	-1.0	-50.10	331.02	1.16	-48.94
CCCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052859	0	39	-1.0	-55.12	332.39	1.21	-53.91
O=C(NC1CCN(C(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005052860	0	37	-1.0	-46.70	306.01	-0.81	-47.51
CCC(OC)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052861	0	39	-1.0	-49.78	321.40	0.55	-49.23
COC(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052862	0	39	-1.0	-48.59	328.97	0.68	-47.91
C=CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052863	0	36	-1.0	-46.89	310.47	1.40	-45.49
CCOCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052864	0	39	-1.0	-46.53	331.68	0.12	-46.41
COCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052865	0	39	-1.0	-46.28	327.82	-0.32	-46.60
C=CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052866	0	37	-1.0	-55.63	323.80	0.99	-54.64
O=C(NC1CCN(C(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005052867	0	32	-1.0	-50.81	286.52	-2.27	-53.08
CCCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052868	0	41	-1.0	-46.97	334.67	1.96	-45.01
O=C(CCC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052869	0	39	-1.0	-47.09	329.26	2.40	-44.69
O=C(NC1CCN(C(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005052870	0	37	-1.0	-46.94	305.92	1.68	-45.26
O=C(CC1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052871	0	39	-1.0	-47.21	323.98	2.14	-45.07
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005052872	0	39	-1.0	-45.75	324.49	2.04	-43.71
CC=C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052873	0	36	-1.0	-51.55	309.31	1.19	-50.36
CC1CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005052874	0	39	-1.0	-46.61	322.61	1.94	-44.67
O=C(C=C1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052875	0	37	-1.0	-51.42	313.46	2.03	-49.39
CC(C)=C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052876	0	36	-1.0	-47.28	306.97	1.26	-46.02
O=C(NC1CCN(C(=O)C2=CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005052877	0	37	-1.0	-47.39	305.24	1.54	-45.85
CC1(C)CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052878	0	39	-1.0	-46.20	322.07	2.02	-44.18
CC1(C)C[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052879	0	39	-1.0	-46.17	321.18	2.00	-44.17
O=C(NC1CCN(C(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005052880	0	37	-1.0	-50.85	309.27	0.48	-50.37
CCC(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052881	0	41	-1.0	-46.60	332.63	2.09	-44.51
C#CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052882	0	37	-1.0	-49.85	324.94	2.14	-47.71
CC(C)(O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052883	0	39	-1.0	-49.81	323.16	-0.83	-50.64
CC(C)[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052884	0	39	-1.0	-46.34	317.88	-0.76	-47.10
CCC(C)=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052885	0	39	-1.0	-50.65	326.61	2.08	-48.57
CC(C)C#CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052886	0	37	-1.0	-51.62	325.71	2.08	-49.54
O=C(C#CC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052887	0	35	-1.0	-51.81	315.35	2.25	-49.56
C=C(C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052888	0	39	-1.0	-46.51	331.82	2.06	-44.45
CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005052889	0	36	-1.0	-46.70	304.10	1.12	-45.58
O=C(NC1CCN(C(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005052890	0	37	-1.0	-50.23	307.08	0.50	-49.73
O=C(NC1CCN(C(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005052891	0	32	-1.0	-49.17	286.16	-2.50	-51.67
CC1(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005052892	0	39	-1.0	-46.50	326.28	2.09	-44.41
O=C(NC1CCN(C(=O)C2=CN=CO2)C1)C1=CC(=O)[N-]O1	REAL250005052893	0	32	-1.0	-51.18	286.68	-2.88	-54.06
C=CC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052894	0	39	-1.0	-47.23	312.99	1.09	-46.14
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052895	0	36	-1.0	-47.04	307.57	1.48	-45.56
CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005052896	0	39	-1.0	-47.14	315.11	1.45	-45.69
CCC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052897	0	35	-1.0	-47.50	302.56	0.80	-46.70
O=C(CCCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052898	0	35	-1.0	-49.74	304.25	0.97	-48.77
C[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052899	0	36	-1.0	-46.96	307.51	1.48	-45.48
CC(C)C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052900	0	38	-1.0	-47.88	321.79	1.27	-46.61
C=CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052901	0	39	-1.0	-47.41	331.96	2.19	-45.22
CCC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052902	0	41	-1.0	-47.13	317.94	1.17	-45.96
NC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052903	0	30	-1.0	-47.18	268.63	-4.67	-51.85
CC1CC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052904	0	39	-1.0	-47.17	326.44	2.25	-44.92
CCC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005052905	0	39	-1.0	-46.78	324.52	1.82	-44.96
O=C(NC1CCN(C(=O)C2(CF)CC2)C1)C1=CC(=O)[N-]O1	REAL250005052906	0	36	-1.0	-46.00	308.61	1.22	-44.78
CC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052907	0	38	-1.0	-46.74	303.84	0.72	-46.02
CC(C)C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052908	0	41	-1.0	-46.88	332.11	1.72	-45.16
CC[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052909	0	39	-1.0	-46.69	327.46	2.22	-44.47
O=C(NC1CCN(C(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005052910	0	37	-1.0	-47.31	318.46	2.28	-45.03
O=C(NC1CCN(C(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005052911	0	34	-1.0	-54.26	299.55	-3.31	-57.57
O=C(NC1CCN(C(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005052912	0	34	-1.0	-54.81	299.02	-3.67	-58.48
COC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005052913	0	37	-1.0	-45.14	318.61	-0.37	-45.51
O=C(NC1CCN(C(=O)C2CSC2)C1)C1=CC(=O)[N-]O1	REAL250005052914	0	34	-1.0	-51.42	300.49	0.89	-50.53
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052915	0	33	-1.0	-47.24	289.08	0.62	-46.62
C[NH+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052916	0	38	0.0	-70.94	311.76	0.77	-70.17
CN(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052916	1	37	-1.0	-47.48	309.68	-1.62	-49.10
C=CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052917	0	34	-1.0	-47.39	294.96	-1.72	-49.11
O=C(NC1CCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005052918	0	34	-1.0	-47.47	293.43	-1.46	-48.93
CO[C@H](C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052919	0	36	-1.0	-48.37	303.69	-0.06	-48.43
CC=CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052920	0	37	-1.0	-47.17	313.97	-0.69	-47.86
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005052921	0	41	0.0	-68.49	327.25	1.09	-67.40
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005052921	1	40	-1.0	-47.17	319.47	-1.44	-48.61
CCC=C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052922	0	36	-1.0	-47.56	311.95	1.30	-46.26
CCC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052923	0	36	-1.0	-51.78	310.26	1.37	-50.41
CC(C)(CO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052925	0	39	-1.0	-46.73	312.99	-2.45	-49.18
O=C(NC1CCN(C(=O)C2(F)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005052926	0	36	-1.0	-44.67	306.39	1.27	-43.40
O=C(CO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052927	0	30	-1.0	-57.11	266.78	-2.83	-59.94
NC(=O)C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052928	0	34	-1.0	-52.33	305.57	-3.34	-55.67
CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052929	0	33	-1.0	-47.93	282.28	-2.25	-50.18
O=C(NC1CCN(C(=O)C2(O)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005052930	0	37	-1.0	-45.44	310.93	-1.89	-47.33
O=C(NC1CCN(C(=O)C(O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005052931	0	37	-1.0	-46.70	309.85	-0.52	-47.22
C=CCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052932	0	39	-1.0	-46.67	326.38	1.75	-44.92
O=C(NC1CCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005052933	0	33	-1.0	-45.33	291.39	0.88	-44.45
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005052934	0	41	0.0	-68.49	327.25	1.09	-67.40
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005052934	1	40	-1.0	-47.17	319.47	-1.44	-48.61
O=C(CCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052935	0	32	-1.0	-46.20	282.74	0.22	-45.98
O=C(NC1CCN(C(=O)C2(O)COC2)C1)C1=CC(=O)[N-]O1	REAL250005052936	0	35	-1.0	-46.12	299.72	-4.03	-50.15
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005052937	0	37	-1.0	-46.78	322.12	2.15	-44.63
CCC1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052938	0	39	-1.0	-46.38	323.33	2.25	-44.13
O=C(CC1(O)CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052939	0	37	-1.0	-50.61	316.48	-1.92	-52.53
O=C(C=CCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052940	0	33	-1.0	-54.06	295.35	0.73	-53.33
C#CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052941	0	34	-1.0	-47.02	303.43	1.35	-45.67
O=C(CN1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052942	0	38	-1.0	-48.36	316.44	-2.06	-50.42
O=C(C[NH+]1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052942	1	39	0.0	-70.48	322.10	1.24	-69.24
C#C[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052943	0	35	-1.0	-49.96	307.47	1.95	-48.01
O=C(NC1CCN(C(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005052944	0	37	-1.0	-46.92	308.71	2.12	-44.80
C=C1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052945	0	37	-1.0	-46.26	313.09	1.72	-44.54
C[C@H]1C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005052946	0	39	-1.0	-46.59	324.14	2.00	-44.59
C[C@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005052947	0	41	0.0	-68.69	327.25	1.10	-67.59
C[C@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005052947	1	40	-1.0	-47.13	315.85	-1.60	-48.73
CC=CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052948	0	37	-1.0	-51.90	324.32	2.05	-49.85
COCC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052949	0	37	-1.0	-54.04	322.52	-0.35	-54.39
CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005052950	0	37	-1.0	-48.96	304.80	-1.28	-50.24
O=C(NC1CCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005052951	0	34	-1.0	-51.32	291.92	-0.43	-51.75
[N-]=[N+]=NCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052952	0	34	-1.0	-46.13	306.29	-3.31	-49.44
C#CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052953	0	35	-1.0	-58.23	316.68	0.95	-57.28
CC(C)(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052954	0	36	-1.0	-45.66	300.89	-2.42	-48.08
CC1=CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052955	0	34	-1.0	-47.36	300.78	1.51	-45.85
CN(C)C(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052956	0	36	-1.0	-46.77	305.44	-1.15	-47.92
CSC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052957	0	34	-1.0	-50.81	311.11	0.92	-49.89
CCC(C)(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052958	0	39	-1.0	-45.61	317.50	-1.75	-47.36
CC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052959	0	41	0.0	-70.30	328.32	1.42	-68.88
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052959	1	41	0.0	-70.15	329.47	1.45	-68.70
CCN(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052959	1	40	-1.0	-47.36	327.65	-0.83	-48.19
C=C1CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005052960	0	37	-1.0	-46.50	316.42	1.84	-44.66
O=C(NC1CCN(C(=O)C2CCC2F)C1)C1=CC(=O)[N-]O1	REAL250005052961	0	36	-1.0	-47.46	309.60	1.42	-46.04
O=C(NC1CCN(C(=O)C2=CNC=N2)C1)C1=CC(=O)[N-]O1	REAL250005052962	0	33	-1.0	-53.27	290.43	0.36	-52.91
O=C(NC1CCN(C(=O)C2=CN=CN2)C1)C1=CC(=O)[N-]O1	REAL250005052962	1	33	-1.0	-54.71	287.68	0.08	-54.63
O=C(NC1CCN(C(=O)C2(Cl)CC2)C1)C1=CC(=O)[N-]O1	REAL250005052963	0	33	-1.0	-44.72	297.10	1.04	-43.68
O=C(NC1CCN(C(=O)C2=CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005052964	0	35	-1.0	-49.21	300.19	0.14	-49.07
CCC[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052965	0	39	-1.0	-47.05	324.70	-0.69	-47.74
CC(C)[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052966	0	39	-1.0	-46.94	317.63	-0.81	-47.75
CCOC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052967	0	37	-1.0	-50.65	322.14	0.25	-50.40
C[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052968	0	33	-1.0	-51.01	282.52	-2.25	-53.26
O=C(CCCCF)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052969	0	38	-1.0	-47.54	325.76	1.76	-45.78
O=C(C=CCO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052970	0	34	-1.0	-55.56	300.27	-2.75	-58.31
COC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052971	0	39	-1.0	-44.71	315.95	-0.43	-45.14
O=C(CCCCO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052972	0	39	-1.0	-48.37	330.59	-1.72	-50.09
O=C(NC1CCN(C(=O)C2(CO)CC2)C1)C1=CC(=O)[N-]O1	REAL250005052973	0	37	-1.0	-50.58	315.11	-2.21	-52.79
COC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052974	0	33	-1.0	-54.75	293.58	-1.18	-55.93
O=C(NC1CCN(C(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005052975	0	37	-1.0	-46.98	311.01	1.88	-45.10
C=C[C@H](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052976	0	39	-1.0	-46.40	327.20	1.95	-44.45
O=C(C=CC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052977	0	37	-1.0	-51.69	321.10	2.21	-49.48
CC=C(CC)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052978	0	39	-1.0	-47.12	329.46	1.91	-45.21
C=CC(C)(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052979	0	37	-1.0	-45.94	311.07	-1.66	-47.60
O=C(NC1CCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005052980	0	34	-1.0	-48.04	292.54	1.18	-46.86
CON=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052981	0	33	-1.0	-53.40	298.07	-1.44	-54.84
O=C(NC1CCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005052982	0	33	-1.0	-44.90	289.98	0.73	-44.17
O=C(COCCO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052983	0	37	-1.0	-58.80	322.26	-2.72	-61.52
CC(C)(CF)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052984	0	38	-1.0	-45.47	308.64	0.79	-44.68
O=C(NC1CCN(C(=O)C2=NOCC2)C1)C1=CC(=O)[N-]O1	REAL250005052985	0	34	-1.0	-47.66	297.30	-0.99	-48.65
COCC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052986	0	37	-1.0	-47.45	315.50	-3.00	-50.45
C#CC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052987	0	37	-1.0	-45.39	312.52	1.22	-44.17
O=C(COC1CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052988	0	37	-1.0	-51.11	321.10	1.21	-49.90
O=C(NC1CCN(C(=O)C2=NC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005052989	0	33	-1.0	-50.20	290.67	-0.48	-50.68
CCCC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052990	0	39	-1.0	-51.62	331.76	2.15	-49.47
CC=C(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052991	0	33	-1.0	-47.89	291.65	0.56	-47.33
CCC(CO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052992	0	39	-1.0	-46.92	325.29	-2.07	-48.99
CC(CO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052993	0	36	-1.0	-46.67	306.69	-2.74	-49.41
O=C(NC1CCN(C(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005052994	0	32	-1.0	-54.25	283.66	-0.49	-54.74
O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2CF)C1)C1=CC(=O)[N-]O1	REAL250005052995	0	36	-1.0	-49.00	314.20	1.60	-47.40
C#CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005052996	0	35	-1.0	-45.99	306.57	1.51	-44.48
O=C(NC1CCN(C(=O)C2=COCC2)C1)C1=CC(=O)[N-]O1	REAL250005052997	0	35	-1.0	-47.78	295.02	-0.49	-48.27
C[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052998	0	33	-1.0	-47.76	281.34	-2.31	-50.07
O=C(NC1CCN(C(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005052999	0	37	-1.0	-47.35	310.55	1.74	-45.61
CC(O)C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053000	0	39	-1.0	-49.29	321.06	-1.90	-51.19
C=C1CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053001	0	34	-1.0	-46.93	299.60	1.37	-45.56
CC(CF)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053002	0	35	-1.0	-45.62	300.96	0.68	-44.94
C=C(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053003	0	36	-1.0	-47.07	310.44	1.26	-45.81
CCSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053004	0	36	-1.0	-54.08	320.84	1.40	-52.68
CC(C)=C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053005	0	39	-1.0	-47.11	326.87	1.87	-45.24
CCCC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053006	0	39	-1.0	-47.08	324.15	-0.71	-47.79
CCC(O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053007	0	39	-1.0	-50.44	328.34	-0.77	-51.21
CC(Cl)=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053008	0	33	-1.0	-53.26	301.48	1.13	-52.13
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053009	0	33	-1.0	-52.04	289.17	0.62	-51.42
CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005053010	0	36	-1.0	-45.26	310.16	1.24	-44.02
O=C(NC1CCN(C(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005053011	0	37	-1.0	-50.31	314.36	-2.09	-52.40
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053012	0	36	-1.0	-47.04	307.57	1.48	-45.56
CNC(=O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053013	0	36	-1.0	-58.76	312.24	-0.87	-59.63
C=CC=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053014	0	37	-1.0	-47.74	324.32	2.04	-45.70
NC(=O)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053015	0	36	-1.0	-48.89	313.84	-3.10	-51.99
CC(O)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053016	0	39	-1.0	-47.01	329.46	-1.67	-48.68
C#CCC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053017	0	37	-1.0	-46.64	320.60	1.73	-44.91
CC(CCO)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053018	0	39	-1.0	-50.60	324.59	-2.15	-52.75
O=C(NC1CCN(C(=O)[C@H](O)CF)C1)C1=CC(=O)[N-]O1	REAL250005053019	0	33	-1.0	-47.41	288.54	-2.11	-49.52
O=C(NC1CCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005053020	0	34	-1.0	-45.39	297.73	-2.62	-48.01
O=C(CC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053021	0	36	-1.0	-51.55	304.32	1.43	-50.12
CC(C)(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053022	0	35	-1.0	-49.23	299.71	0.57	-48.66
CC(F)(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053023	0	32	-1.0	-45.73	284.16	0.12	-45.61
COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053024	0	33	-1.0	-54.32	285.97	-0.73	-55.05
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053025	0	35	-1.0	-49.06	293.80	0.71	-48.35
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CO1	REAL250005053026	0	33	-1.0	-50.73	292.93	0.21	-50.52
CC(=O)NCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053027	0	36	-1.0	-52.12	311.62	-2.40	-54.52
CC(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053028	0	38	-1.0	-48.66	310.53	1.29	-47.37
CC1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053029	0	36	-1.0	-49.96	299.70	1.40	-48.56
CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053030	0	36	-1.0	-54.41	307.82	0.23	-54.18
CC(C)=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053031	0	36	-1.0	-48.23	301.72	1.24	-46.99
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCO1	REAL250005053032	0	37	-1.0	-52.75	308.35	0.49	-52.26
CSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053033	0	33	-1.0	-53.54	296.31	0.34	-53.20
CSCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053034	0	36	-1.0	-48.47	317.04	1.18	-47.29
CC(C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053035	0	41	-1.0	-48.90	332.87	1.99	-46.91
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005053036	0	34	-1.0	-53.81	295.88	-0.02	-53.83
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=C1	REAL250005053037	0	33	-1.0	-54.55	292.03	0.19	-54.36
CCCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053038	0	41	-1.0	-49.05	336.80	2.27	-46.78
CC(C)(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053039	0	41	-1.0	-47.90	325.50	1.82	-46.08
CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053040	0	38	-1.0	-49.11	315.30	1.49	-47.62
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053041	0	35	-1.0	-50.55	292.81	0.57	-49.98
CCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053042	0	38	-1.0	-50.60	310.92	1.21	-49.39
CCC(CC)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053043	0	41	-1.0	-48.31	326.10	1.73	-46.58
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005053044	0	33	-1.0	-51.50	290.58	-1.33	-52.83
CSC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053045	0	36	-1.0	-53.54	314.76	0.90	-52.64
CCOC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053046	0	39	-1.0	-54.04	326.82	0.96	-53.08
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNN=C1	REAL250005053047	0	33	-1.0	-52.50	290.74	-1.35	-53.85
COCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053048	0	39	-1.0	-51.75	327.47	-0.22	-51.97
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOC=C1	REAL250005053049	0	32	-1.0	-50.74	287.40	-0.54	-51.28
CCC=C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053050	0	39	-1.0	-48.79	321.00	2.03	-46.76
COC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053051	0	36	-1.0	-54.08	305.76	-0.03	-54.11
CC(C)OCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053052	0	39	-1.0	-54.40	328.10	0.96	-53.44
CCCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053053	0	39	-1.0	-54.20	329.32	1.03	-53.17
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCOC1	REAL250005053054	0	37	-1.0	-51.48	306.48	-0.77	-52.25
CCC(OC)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053055	0	39	-1.0	-50.96	325.83	0.86	-50.10
COC(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053056	0	39	-1.0	-51.94	326.06	0.50	-51.44
C=CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053057	0	36	-1.0	-48.86	306.61	1.27	-47.59
CCOCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053058	0	39	-1.0	-48.86	327.83	-0.02	-48.88
COCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053059	0	39	-1.0	-48.36	324.69	-0.28	-48.64
C=CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053060	0	37	-1.0	-54.74	320.73	0.81	-53.93
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=N1	REAL250005053061	0	32	-1.0	-50.90	287.78	-3.20	-54.10
CC(C#N)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053062	0	33	-1.0	-58.88	292.23	0.19	-58.69
CCCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053063	0	41	-1.0	-48.81	331.48	2.01	-46.80
O=C(CCC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053064	0	39	-1.0	-51.05	326.36	2.25	-48.80
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC=CC1	REAL250005053065	0	37	-1.0	-50.71	308.89	1.69	-49.02
O=C(CC1CCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053066	0	39	-1.0	-51.18	321.16	1.97	-49.21
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005053067	0	39	-1.0	-50.63	322.87	2.04	-48.59
CC=C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053068	0	36	-1.0	-48.98	300.62	1.22	-47.76
CC1CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005053069	0	39	-1.0	-51.10	321.11	1.82	-49.28
O=C(C=C1CCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053070	0	37	-1.0	-51.12	312.47	1.90	-49.22
CC(C)=C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053071	0	36	-1.0	-46.23	306.52	1.32	-44.91
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005053072	0	37	-1.0	-50.50	309.84	1.79	-48.71
CC1(C)CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053073	0	39	-1.0	-49.93	320.36	1.91	-48.02
CC1(C)C[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053074	0	39	-1.0	-48.19	319.43	1.93	-46.26
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCCO1	REAL250005053075	0	37	-1.0	-54.92	309.73	0.48	-54.44
CCC(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053076	0	41	-1.0	-50.54	329.70	1.93	-48.61
C#CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053077	0	37	-1.0	-51.91	321.08	2.01	-49.90
CC(C)(O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053078	0	39	-1.0	-48.51	316.76	-0.63	-49.14
CC(C)[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053079	0	39	-1.0	-50.38	319.38	-1.62	-52.00
CCC(C)=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053080	0	39	-1.0	-47.96	323.30	2.02	-45.94
CC(C)C#CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053081	0	37	-1.0	-50.79	322.64	1.93	-48.86
O=C(C#CC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053082	0	35	-1.0	-50.86	312.31	2.11	-48.75
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053083	0	32	-1.0	-49.19	272.30	-0.06	-49.25
COCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053084	0	36	-1.0	-48.95	305.98	-0.99	-49.94
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005053085	0	33	-1.0	-49.20	282.92	0.70	-48.50
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005053086	0	36	-1.0	-48.88	299.03	1.21	-47.67
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC1	REAL250005053087	0	39	-1.0	-51.00	317.13	1.76	-49.24
C=CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053088	0	39	-1.0	-49.47	328.11	2.05	-47.42
CCC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053089	0	41	-1.0	-50.63	325.91	1.63	-49.00
NC(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053090	0	30	-1.0	-47.70	267.65	-4.73	-52.43
CC1CC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053091	0	39	-1.0	-51.26	325.56	2.13	-49.13
CCC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005053092	0	39	-1.0	-50.91	326.63	1.83	-49.08
CC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053093	0	38	-1.0	-50.51	311.69	1.13	-49.38
C=C(C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053094	0	39	-1.0	-48.56	328.26	1.94	-46.62
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005053095	0	36	-1.0	-52.35	311.95	1.29	-51.06
CC(C)C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053096	0	41	-1.0	-50.04	326.83	1.77	-48.27
CC[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053097	0	39	-1.0	-50.64	326.55	2.12	-48.52
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC12CC2	REAL250005053098	0	37	-1.0	-51.02	316.21	2.15	-48.87
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CCCO1	REAL250005053099	0	37	-1.0	-55.09	309.79	0.46	-54.63
CC1(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005053100	0	39	-1.0	-50.96	324.90	1.92	-49.04
CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005053101	0	36	-1.0	-50.73	301.72	1.26	-49.47
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC=C1	REAL250005053102	0	34	-1.0	-56.79	295.88	0.08	-56.71
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005053103	0	32	-1.0	-51.62	287.78	-3.10	-54.72
C=CC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053104	0	39	-1.0	-50.92	320.45	1.53	-49.39
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053105	0	36	-1.0	-50.89	305.29	1.34	-49.55
CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005053106	0	39	-1.0	-48.62	316.22	1.73	-46.89
CCC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053107	0	35	-1.0	-50.24	300.08	0.74	-49.50
O=C(CCCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053108	0	35	-1.0	-51.86	300.39	0.85	-51.01
C[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053109	0	36	-1.0	-48.77	304.21	1.38	-47.39
CC(C)C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053110	0	38	-1.0	-52.69	320.24	1.22	-51.47
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNN=C1	REAL250005053111	0	32	-1.0	-49.37	286.22	-2.76	-52.13
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005053111	1	32	-1.0	-52.42	285.38	-2.71	-55.13
O=C(CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053112	0	30	-1.0	-56.06	263.72	-3.01	-59.07
NC(=O)C=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053113	0	34	-1.0	-51.55	302.26	-3.42	-54.97
COC(=O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053114	0	35	-1.0	-59.54	305.19	0.87	-58.67
CSC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053115	0	34	-1.0	-48.51	307.93	0.86	-47.65
NC(=O)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053116	0	36	-1.0	-51.25	309.99	-3.23	-54.48
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005053117	0	34	-1.0	-54.65	291.91	-0.59	-55.24
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005053118	0	33	-1.0	-47.27	298.72	1.22	-46.05
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005053119	0	35	-1.0	-49.24	301.47	-0.22	-49.46
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005053120	0	34	-1.0	-51.60	290.61	-1.58	-53.18
O=C(C=CCO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053121	0	34	-1.0	-52.21	296.98	-2.81	-55.02
CC=CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053122	0	37	-1.0	-50.80	316.31	-0.65	-51.45
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005053123	0	41	0.0	-72.34	327.07	1.04	-71.30
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005053123	1	40	-1.0	-51.65	321.04	-1.40	-53.05
CCC=C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053124	0	36	-1.0	-46.26	311.15	1.35	-44.91
CCC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053125	0	36	-1.0	-48.91	306.97	1.31	-47.60
[N-]=[N+]=NCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053126	0	34	-1.0	-48.54	302.44	-3.44	-51.98
C#CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053127	0	35	-1.0	-57.39	313.61	0.77	-56.62
CC(O)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053128	0	39	-1.0	-49.09	325.61	-1.80	-50.89
C#CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053129	0	34	-1.0	-49.31	299.58	1.22	-48.09
CC=CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053130	0	37	-1.0	-49.00	321.04	1.99	-47.01
COCC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053131	0	37	-1.0	-50.88	319.23	-0.41	-51.29
CCC(C)(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053132	0	39	-1.0	-48.90	320.35	-2.00	-50.90
C#CCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053133	0	37	-1.0	-48.75	317.46	1.79	-46.96
C=CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053134	0	34	-1.0	-51.02	294.61	-1.51	-52.53
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC1CC2	REAL250005053135	0	37	-1.0	-50.92	312.27	1.89	-49.03
C=C[C@H](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053136	0	39	-1.0	-50.24	324.26	1.80	-48.44
O=C(C=CC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053137	0	37	-1.0	-50.65	318.80	2.11	-48.54
CCC(C#N)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053138	0	36	-1.0	-49.18	311.91	0.86	-48.32
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C2CCC21	REAL250005053139	0	37	-1.0	-50.83	306.54	2.00	-48.83
C=C1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053140	0	37	-1.0	-48.65	312.61	1.73	-46.92
C[C@H]1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005053141	0	39	-1.0	-49.61	314.29	1.86	-47.75
CC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053142	0	41	0.0	-74.36	326.57	1.31	-73.05
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053142	1	41	0.0	-74.38	326.56	1.31	-73.07
CCN(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053142	1	40	-1.0	-51.32	324.72	-0.96	-52.28
CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053143	0	33	-1.0	-52.00	284.05	-2.24	-54.24
CC(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053144	0	31	-1.0	-46.68	275.04	-0.92	-47.60
N#CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053145	0	36	-1.0	-57.73	314.66	1.22	-56.51
N#CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005053146	0	34	-1.0	-50.04	303.15	0.91	-49.13
C=C1CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005053147	0	37	-1.0	-52.00	313.07	1.68	-50.32
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005053148	0	33	-1.0	-47.62	289.34	0.74	-46.88
COC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053149	0	39	-1.0	-54.42	317.71	0.44	-53.98
CC(CC#N)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053150	0	36	-1.0	-50.51	311.03	0.97	-49.54
CCC1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053151	0	39	-1.0	-48.29	320.13	2.16	-46.13
C=CC(C)(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053152	0	37	-1.0	-49.00	313.92	-1.92	-50.92
CCCC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053153	0	39	-1.0	-48.71	328.46	2.09	-46.62
CC=C(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053154	0	33	-1.0	-46.53	290.85	0.62	-45.91
C[C@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005053155	0	41	0.0	-73.25	327.04	1.05	-72.20
C[C@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005053155	1	40	-1.0	-51.28	320.65	-1.40	-52.68
CCOC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053156	0	37	-1.0	-48.59	318.94	0.17	-48.42
CC(=O)OCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053157	0	35	-1.0	-53.65	309.32	0.85	-52.80
CC(=O)C=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053158	0	35	-1.0	-49.89	309.25	0.42	-49.47
O=C(COC1CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053159	0	37	-1.0	-55.36	318.20	1.00	-54.36
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005053160	0	33	-1.0	-50.69	291.83	-1.07	-51.76
CC(CO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053161	0	36	-1.0	-48.76	302.44	-2.68	-51.44
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CON=C1	REAL250005053162	0	32	-1.0	-51.14	286.97	-0.37	-51.51
O=C(CCCCO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053163	0	39	-1.0	-50.46	326.72	-1.84	-52.30
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC1	REAL250005053164	0	35	-1.0	-47.19	306.60	0.62	-46.57
O=C(CC1(O)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053165	0	37	-1.0	-55.43	314.89	-2.04	-57.47
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005053166	0	36	-1.0	-52.71	303.68	1.31	-51.40
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005053167	0	36	-1.0	-51.68	310.88	1.51	-50.17
CCC(CO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053168	0	39	-1.0	-48.54	318.62	-1.63	-50.17
N#C[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053169	0	34	-1.0	-62.67	300.75	0.98	-61.69
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005053170	0	35	-1.0	-51.02	299.95	-0.25	-51.27
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005053171	0	34	-1.0	-50.54	292.21	-2.42	-52.96
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005053172	0	34	-1.0	-51.31	294.30	1.18	-50.13
CC(CF)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053173	0	35	-1.0	-47.90	297.83	0.74	-47.16
CC(Cl)=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053174	0	33	-1.0	-50.44	297.85	1.05	-49.39
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053175	0	33	-1.0	-49.08	285.88	0.55	-48.53
CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005053176	0	36	-1.0	-49.94	307.73	1.36	-48.58
O=C(C=CCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053177	0	33	-1.0	-50.90	292.06	0.67	-50.23
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005053178	0	37	-1.0	-55.16	317.57	-2.20	-57.36
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005053179	0	32	-1.0	-48.14	286.40	-0.33	-48.47
C[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053181	0	33	-1.0	-55.44	284.40	-2.26	-57.70
CON=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053182	0	33	-1.0	-51.81	294.77	-1.48	-53.29
CC(C)[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053183	0	39	-1.0	-51.33	320.40	-0.71	-52.04
C#CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005053184	0	35	-1.0	-48.41	308.66	1.76	-46.65
C=CC=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053185	0	37	-1.0	-51.72	321.41	1.88	-49.84
C#C[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053186	0	35	-1.0	-53.89	306.68	1.84	-52.05
CC=C(CC)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053187	0	39	-1.0	-48.74	321.65	1.93	-46.81
COC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053188	0	33	-1.0	-54.26	291.87	-1.26	-55.52
COCC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053189	0	37	-1.0	-51.00	316.45	-2.91	-53.91
N#C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053190	0	34	-1.0	-52.21	303.91	1.11	-51.10
O=C(C1=CC(=O)[N-]O1)N1CCC(NC(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005053191	0	37	-1.0	-52.89	310.46	-2.20	-55.09
O=C(COCCO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053192	0	37	-1.0	-57.87	319.20	-2.90	-60.77
CC(C)(CF)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053193	0	38	-1.0	-47.65	315.74	1.24	-46.41
CC(C)(CO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053194	0	39	-1.0	-48.59	320.09	-2.05	-50.64
C=CCC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053195	0	39	-1.0	-48.47	324.48	1.84	-46.63
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053196	0	36	-1.0	-50.89	305.29	1.34	-49.55
CC(C)(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053197	0	36	-1.0	-48.93	303.73	-2.66	-51.59
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005053198	0	34	-1.0	-48.19	297.28	-1.22	-49.41
CC(C#N)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053199	0	36	-1.0	-51.74	310.79	0.95	-50.79
CC(CCO)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053200	0	39	-1.0	-52.53	321.40	-2.10	-54.63
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005053201	0	33	-1.0	-52.37	290.41	-2.06	-54.43
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005053202	0	37	-1.0	-48.45	307.16	-1.82	-50.27
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005053203	0	37	-1.0	-50.76	316.09	-0.69	-51.45
C=C(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053204	0	36	-1.0	-50.98	307.77	1.11	-49.87
CC(C)(C#N)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053205	0	36	-1.0	-58.07	311.08	0.70	-57.37
CCSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053206	0	36	-1.0	-53.45	317.78	1.24	-52.21
CC(C)=C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053207	0	39	-1.0	-48.23	316.14	1.92	-46.31
CNC(=O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053208	0	36	-1.0	-63.46	309.34	-1.06	-64.52
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005053209	0	36	-1.0	-49.79	306.72	1.28	-48.51
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053210	0	33	-1.0	-51.18	286.16	0.46	-50.72
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053211	0	38	0.0	-73.30	307.89	0.66	-72.64
CN(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053211	1	37	-1.0	-49.72	305.81	-1.73	-51.45
N#CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053212	0	30	-1.0	-61.07	272.71	-0.41	-61.48
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005053213	0	33	-1.0	-48.06	289.61	0.80	-47.26
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005053214	0	41	0.0	-72.34	327.07	1.04	-71.30
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005053214	1	40	-1.0	-51.65	321.04	-1.40	-53.05
O=C(CCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053215	0	32	-1.0	-48.63	278.89	0.08	-48.55
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C=CCC1	REAL250005053216	0	37	-1.0	-48.66	307.92	1.72	-46.94
C#CC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053217	0	37	-1.0	-53.29	317.51	1.57	-51.72
CO[C@H](C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053218	0	36	-1.0	-54.36	305.82	-0.03	-54.39
CC(=O)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053219	0	37	-1.0	-49.67	317.01	0.62	-49.05
C[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053220	0	33	-1.0	-51.62	284.14	-2.23	-53.85
O=C(CN1CCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053221	0	38	-1.0	-53.03	314.75	-2.19	-55.22
O=C(C[NH+]1CCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053221	1	39	0.0	-73.08	318.20	1.13	-71.95
CC(O)C(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053222	0	39	-1.0	-53.96	317.21	-0.81	-54.77
C=C1CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053223	0	34	-1.0	-50.59	297.34	1.25	-49.34
COC(OC)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053224	0	37	-1.0	-52.66	310.63	-1.10	-53.76
CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005053225	0	37	-1.0	-50.95	308.66	-0.95	-51.90
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005053226	0	34	-1.0	-58.52	298.13	-3.63	-62.15
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC(=O)N1	REAL250005053227	0	34	-1.0	-59.65	298.37	-3.42	-63.07
CCC[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053228	0	39	-1.0	-51.50	326.09	-0.62	-52.12
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005053229	0	36	-1.0	-48.44	306.37	1.23	-47.21
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005053230	0	33	-1.0	-55.02	290.63	-0.25	-55.27
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)C1	REAL250005053231	0	35	-1.0	-58.36	302.29	0.26	-58.10
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005053232	0	35	-1.0	-51.76	299.04	-4.14	-55.90
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005053233	0	37	-1.0	-51.62	316.16	2.13	-49.49
CC1=CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053234	0	34	-1.0	-51.23	298.82	1.38	-49.85
CN(C)C(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053235	0	36	-1.0	-47.54	304.79	-1.22	-48.76
CCCC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053236	0	39	-1.0	-49.00	325.09	-0.61	-49.61
CCC(O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053237	0	39	-1.0	-54.64	325.42	-0.95	-55.59
O=C(CCCCF)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053238	0	38	-1.0	-49.66	321.89	1.63	-48.03
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CC(=O)N1	REAL250005053239	0	34	-1.0	-59.65	298.38	-3.42	-63.07
COC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005053240	0	37	-1.0	-51.71	311.03	0.45	-51.26
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005053241	0	34	-1.0	-51.00	299.86	0.84	-50.16
C=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053242	0	30	-1.0	-49.25	264.15	-0.34	-49.59
O=C(NC1CCN(C(=O)C2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005053243	0	34	-1.0	-54.38	301.06	-3.27	-57.65
O=C(NC1CCN(C(=O)C2CC(F)C2)C1)C1=CC(=O)[N-]O1	REAL250005053244	0	36	-1.0	-46.26	309.39	1.43	-44.83
O=C(NC1CCN(C(=O)C2=CC=NO2)C1)C1=CC(=O)[N-]O1	REAL250005053245	0	32	-1.0	-48.35	287.45	-0.37	-48.72
CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053246	0	35	-1.0	-47.89	297.49	0.67	-47.22
COCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053247	0	39	-1.0	-47.39	331.04	-0.25	-47.64
CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053248	0	32	-1.0	-51.40	275.82	-0.20	-51.60
O=C(NCC1CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005053249	0	36	-1.0	-47.88	307.40	1.37	-46.51
O=C(NCC1CCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005053250	0	39	-1.0	-47.69	323.98	1.94	-45.75
O=C(CC1CC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053251	0	39	-1.0	-48.01	328.45	2.20	-45.81
CC(C)(F)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053252	0	38	-1.0	-46.35	316.18	1.04	-45.31
COCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053253	0	36	-1.0	-54.63	310.20	0.05	-54.58
CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053254	0	38	-1.0	-47.68	318.99	1.44	-46.24
CC(C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053255	0	41	-1.0	-47.21	335.72	2.02	-45.19
CC1CC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053256	0	39	-1.0	-47.18	323.32	2.09	-45.09
CCOCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053257	0	39	-1.0	-54.69	332.06	1.01	-53.68
CC(C)=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053258	0	39	-1.0	-50.26	326.05	1.89	-48.37
CSCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053259	0	36	-1.0	-53.67	320.54	1.10	-52.57
CCCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053260	0	41	-1.0	-47.74	340.53	2.18	-45.56
CC(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053261	0	38	-1.0	-47.72	316.48	1.14	-46.58
CCC(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053262	0	41	-1.0	-47.57	335.57	1.78	-45.79
COC(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053263	0	39	-1.0	-50.95	325.29	0.50	-50.45
C=CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053264	0	39	-1.0	-47.49	331.68	2.01	-45.48
CC=C(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053265	0	39	-1.0	-51.27	330.47	1.79	-49.48
CC1(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005053266	0	39	-1.0	-48.02	325.58	1.72	-46.30
C[C@@H]1C[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053267	0	39	-1.0	-47.80	328.78	2.04	-45.76
CCC(F)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053268	0	38	-1.0	-48.25	323.88	1.39	-46.86
O=C(CCCF)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053269	0	38	-1.0	-50.37	325.63	1.53	-48.84
C[C@H]1C[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053270	0	39	-1.0	-47.72	328.71	2.08	-45.64
NC(=O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053271	0	33	-1.0	-47.84	289.64	-4.05	-51.89
CC(C)(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053272	0	41	-1.0	-47.91	325.56	1.29	-46.62
C=CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053273	0	36	-1.0	-48.05	310.45	1.18	-46.87
C[NH+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053274	0	41	0.0	-70.75	333.08	1.36	-69.39
CN(C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053274	1	40	-1.0	-48.16	331.00	-1.03	-49.19
C=CC(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053275	0	37	-1.0	-48.34	316.30	-1.12	-49.46
O=C(NCC1CCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005053276	0	37	-1.0	-48.26	314.73	-0.85	-49.11
CO[C@H](C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053277	0	39	-1.0	-50.81	325.18	0.54	-50.27
CCC=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053278	0	39	-1.0	-51.25	331.26	2.00	-49.25
O=C(CO)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053280	0	33	-1.0	-56.33	287.95	-2.23	-58.56
CC(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053281	0	36	-1.0	-52.36	303.92	-1.70	-54.06
O=C(NCC1CCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005053282	0	36	-1.0	-46.40	314.32	1.45	-44.95
O=C(CCF)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053283	0	35	-1.0	-46.85	303.96	0.82	-46.03
O=C(C=CCF)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053284	0	36	-1.0	-53.36	316.35	1.34	-52.02
C#CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053285	0	37	-1.0	-47.66	324.65	1.95	-45.71
O=C(NCC1CCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005053286	0	37	-1.0	-52.53	313.31	0.18	-52.35
CC(C)(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053287	0	39	-1.0	-46.56	322.28	-1.83	-48.39
CC1=CC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053288	0	37	-1.0	-48.61	322.49	2.12	-46.49
C[C@@H](O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053289	0	36	-1.0	-48.57	303.29	-1.68	-50.25
O=C(C=CCO)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053290	0	37	-1.0	-54.91	321.27	-2.14	-57.05
O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005053291	0	37	-1.0	-49.09	313.91	1.74	-47.35
CON=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053292	0	36	-1.0	-53.30	319.07	-0.82	-54.12
O=C(NCC1CCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005053293	0	36	-1.0	-46.01	311.06	1.35	-44.66
CC=C(F)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053294	0	36	-1.0	-48.08	312.66	1.18	-46.90
CC(CO)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053295	0	39	-1.0	-47.62	328.09	-2.16	-49.78
C[C@H](O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053296	0	36	-1.0	-48.74	303.30	-1.69	-50.43
C=C1CC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053297	0	37	-1.0	-47.89	320.94	1.97	-45.92
CC(CF)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053298	0	38	-1.0	-46.48	322.78	1.30	-45.18
C=C(C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053299	0	39	-1.0	-47.68	332.02	1.87	-45.81
CC=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053300	0	36	-1.0	-51.52	310.17	1.24	-50.28
C[C@@H]1C[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053301	0	39	-1.0	-47.80	328.78	2.04	-45.76
O=C(NCC1CCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005053302	0	37	-1.0	-46.61	318.82	-2.01	-48.62
O=C(CC1CC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053303	0	39	-1.0	-48.50	325.52	2.03	-46.47
CC(C)(F)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053304	0	38	-1.0	-47.00	321.46	1.13	-45.87
COCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053305	0	36	-1.0	-51.41	307.35	-0.17	-51.58
CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053306	0	38	-1.0	-48.34	316.12	1.23	-47.11
CC(C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053307	0	41	-1.0	-47.83	332.85	1.82	-46.01
CC1CC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053308	0	39	-1.0	-48.22	326.52	1.91	-46.31
CCOCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053309	0	39	-1.0	-51.44	329.20	0.79	-50.65
CC(C)=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053310	0	39	-1.0	-47.79	324.11	1.78	-46.01
CSCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053311	0	36	-1.0	-50.59	317.69	0.89	-49.70
CCCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053312	0	41	-1.0	-48.29	337.62	2.01	-46.28
CC(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053313	0	38	-1.0	-48.07	314.19	1.14	-46.93
CCC(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053314	0	41	-1.0	-47.93	332.31	1.79	-46.14
COC(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053315	0	39	-1.0	-51.08	327.14	0.53	-50.55
C=CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053316	0	39	-1.0	-48.27	328.93	1.79	-46.48
CC(C#N)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053317	0	36	-1.0	-54.81	313.61	0.76	-54.05
CC=C(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053318	0	39	-1.0	-48.47	322.95	1.76	-46.71
CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053319	0	35	-1.0	-48.50	294.62	0.47	-48.03
COCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053320	0	39	-1.0	-48.57	328.30	-0.46	-49.03
CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053321	0	32	-1.0	-48.70	274.04	-0.34	-49.04
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005053322	0	36	-1.0	-48.20	304.95	1.30	-46.90
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005053323	0	39	-1.0	-47.96	321.31	1.76	-46.20
NC(=O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053324	0	33	-1.0	-49.23	289.98	-4.20	-53.43
CC(C)(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053325	0	41	-1.0	-47.84	333.07	1.70	-46.14
CC1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005053326	0	39	-1.0	-47.91	322.70	1.89	-46.02
C[C@@H]1C[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053327	0	39	-1.0	-48.15	326.48	1.93	-46.22
CCC(F)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053328	0	38	-1.0	-48.73	322.41	1.27	-47.46
O=C(CCCF)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053329	0	38	-1.0	-50.74	322.71	1.37	-49.37
C[C@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053330	0	39	-1.0	-48.05	326.34	1.96	-46.09
O=C(CO)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053331	0	33	-1.0	-52.92	285.09	-2.45	-55.37
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005053332	0	37	-1.0	-51.88	313.34	0.07	-51.81
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005053333	0	37	-1.0	-49.08	311.98	-1.03	-50.11
O=C(C=CCO)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053334	0	37	-1.0	-51.64	319.31	-2.28	-53.92
CCC=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053335	0	39	-1.0	-48.34	329.30	1.84	-46.50
C#CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053336	0	37	-1.0	-48.73	321.91	1.75	-46.98
C=CC(O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053337	0	37	-1.0	-48.69	315.99	-0.94	-49.63
CC(O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053338	0	36	-1.0	-52.32	305.77	-1.69	-54.01
CC(=O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053339	0	34	-1.0	-47.82	296.38	-0.40	-48.22
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005053340	0	36	-1.0	-47.59	311.35	1.33	-46.26
CC=C(F)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053341	0	36	-1.0	-47.11	313.18	1.15	-45.96
CC(CO)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053342	0	39	-1.0	-48.57	324.76	-2.15	-50.72
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005053343	0	37	-1.0	-48.60	313.29	-1.78	-50.38
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005053344	0	37	-1.0	-48.98	315.10	1.75	-47.23
CC(CF)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053345	0	38	-1.0	-47.52	319.98	1.26	-46.26
CC=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053346	0	36	-1.0	-48.55	308.21	1.08	-47.47
O=C(C=CCF)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053347	0	36	-1.0	-50.44	314.39	1.19	-49.25
C[C@H](O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053349	0	36	-1.0	-49.41	305.37	-1.64	-51.05
CON=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053350	0	36	-1.0	-51.47	317.10	-0.95	-52.42
C[C@@H]1C[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053351	0	39	-1.0	-48.15	326.48	1.93	-46.22
CC(C)(O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053352	0	39	-1.0	-52.12	324.16	-0.97	-53.09
C=C(C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053353	0	39	-1.0	-48.40	329.15	1.66	-46.74
C=CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053354	0	36	-1.0	-48.66	307.54	1.01	-47.65
C[NH+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053355	0	41	0.0	-71.60	330.21	1.18	-70.42
CN(C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053355	1	40	-1.0	-48.78	328.13	-1.21	-49.99
N#CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053356	0	33	-1.0	-56.88	294.09	0.14	-56.74
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005053357	0	36	-1.0	-48.32	311.94	1.33	-46.99
O=C(CCF)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053358	0	35	-1.0	-48.16	301.22	0.61	-47.55
CO[C@H](C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053359	0	39	-1.0	-51.00	327.09	0.57	-50.43
C[C@@H](O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053360	0	36	-1.0	-49.43	305.38	-1.65	-51.08
C=C1CC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053361	0	37	-1.0	-48.52	318.71	1.81	-46.71
CC1=CC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053362	0	37	-1.0	-49.05	320.15	1.95	-47.10
C=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053363	0	33	-1.0	-48.74	286.48	0.19	-48.55
CCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053364	0	38	-1.0	-45.38	309.85	0.77	-44.61
CC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053365	0	35	-1.0	-49.01	293.99	-0.47	-49.48
O=C(NC1CCCC(NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005053366	0	39	-1.0	-45.36	320.36	1.54	-43.82
COCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053367	0	39	-1.0	-51.94	327.00	-0.29	-52.23
CCCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053368	0	41	-1.0	-45.15	331.35	1.53	-43.62
CC(C)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053369	0	41	-1.0	-48.28	333.83	1.02	-47.26
NC(=O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053370	0	36	-1.0	-47.87	305.20	-3.90	-51.77
C=CCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053371	0	39	-1.0	-45.47	322.76	1.31	-44.16
O=C(CO)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053372	0	36	-1.0	-53.53	304.75	-2.57	-56.10
CC(O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053373	0	39	-1.0	-46.05	320.65	-1.37	-47.42
O=C(CCF)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053374	0	38	-1.0	-45.08	316.44	0.91	-44.17
C[C@@H](O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053375	0	39	-1.0	-53.07	325.42	-1.81	-54.88
C[C@H](O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053376	0	39	-1.0	-48.84	320.19	-1.35	-50.19
CC=CC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053377	0	39	-1.0	-45.64	323.42	1.39	-44.25
COCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053378	0	39	-1.0	-51.94	327.00	-0.29	-52.23
CCCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053379	0	41	-1.0	-45.15	331.35	1.53	-43.62
CC(C)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053380	0	41	-1.0	-48.28	333.83	1.02	-47.26
CCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053381	0	38	-1.0	-45.38	309.85	0.77	-44.61
CC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053382	0	35	-1.0	-49.01	293.99	-0.47	-49.48
O=C(NC1CCCC(NC(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005053383	0	39	-1.0	-45.36	320.36	1.54	-43.82
NC(=O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053384	0	36	-1.0	-47.87	305.20	-3.90	-51.77
O=C(CO)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053385	0	36	-1.0	-53.53	304.75	-2.57	-56.10
CC(O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053386	0	39	-1.0	-46.05	320.65	-1.37	-47.42
CC(=O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053387	0	37	-1.0	-46.30	312.59	-0.09	-46.39
CC=CC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053388	0	39	-1.0	-45.64	323.42	1.39	-44.25
C[C@H](O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053389	0	39	-1.0	-48.84	320.19	-1.35	-50.19
C=CCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053390	0	39	-1.0	-45.47	322.76	1.31	-44.16
N#CCC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053391	0	36	-1.0	-57.96	313.74	0.02	-57.94
O=C(CCF)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053392	0	38	-1.0	-45.08	316.44	0.91	-44.17
C[C@@H](O)C(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053393	0	39	-1.0	-53.07	325.42	-1.81	-54.88
C=CC(=O)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053394	0	36	-1.0	-45.81	301.70	0.51	-45.30
CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053395	0	38	-1.0	-53.80	300.63	2.47	-51.33
CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053396	0	35	-1.0	-54.05	280.32	1.70	-52.35
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC2)C1	REAL250005053397	0	39	-1.0	-53.71	311.05	3.21	-50.50
COCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053398	0	39	-1.0	-57.27	313.35	1.86	-55.41
CCCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053399	0	41	-1.0	-53.57	322.63	3.25	-50.32
CC(C)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053400	0	41	-1.0	-53.76	319.97	3.00	-50.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C(N)=O)C1	REAL250005053401	0	36	-1.0	-48.67	293.63	-2.34	-51.01
C=CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053402	0	39	-1.0	-53.97	313.54	3.01	-50.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CO)C1	REAL250005053403	0	36	-1.0	-59.06	291.10	-0.42	-59.48
CC(O)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053404	0	39	-1.0	-54.68	307.47	0.10	-54.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCF)C1	REAL250005053405	0	38	-1.0	-52.15	307.22	2.61	-49.54
C[C@@H](O)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053406	0	39	-1.0	-54.64	307.44	0.10	-54.54
C[C@H](O)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053407	0	39	-1.0	-54.83	307.47	0.11	-54.72
CC=CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053408	0	39	-1.0	-54.19	313.14	3.04	-51.15
COCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053409	0	39	-1.0	-56.55	313.11	1.79	-54.76
CCCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053410	0	41	-1.0	-52.82	321.89	3.18	-49.64
CC(C)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053411	0	41	-1.0	-54.33	315.02	2.80	-51.53
CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053412	0	38	-1.0	-52.95	300.39	2.42	-50.53
CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053413	0	35	-1.0	-52.66	279.20	1.57	-51.09
CN(C(=O)C1CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053414	0	39	-1.0	-52.76	310.08	3.14	-49.62
CN(C(=O)C(N)=O)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053415	0	36	-1.0	-46.47	291.17	-2.16	-48.63
CN(C(=O)CO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053416	0	36	-1.0	-58.21	290.86	-0.49	-58.70
CC(O)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053417	0	39	-1.0	-56.04	306.07	0.05	-55.99
CC(=O)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053418	0	37	-1.0	-49.44	300.96	1.52	-47.92
CC=CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053419	0	39	-1.0	-54.71	313.13	3.01	-51.70
C[C@H](O)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053420	0	39	-1.0	-50.15	307.26	0.02	-50.13
C=CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053421	0	39	-1.0	-53.08	313.30	2.96	-50.12
CN(C(=O)CC#N)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053422	0	36	-1.0	-62.13	299.85	2.10	-60.03
CN(C(=O)CCF)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053423	0	38	-1.0	-51.32	306.98	2.56	-48.76
C[C@@H](O)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053424	0	39	-1.0	-57.18	307.64	-0.02	-57.20
C=CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053425	0	36	-1.0	-47.38	289.02	2.20	-45.18
CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053426	0	34	-1.0	-53.19	294.15	-0.57	-53.76
COCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053427	0	38	-1.0	-52.37	327.82	-1.50	-53.87
CC(CCNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053428	0	35	-1.0	-53.07	304.67	0.20	-52.87
CC(CCNC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053429	0	38	-1.0	-53.08	320.88	0.70	-52.38
CC(CCNC(=O)C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053430	0	41	-1.0	-53.11	337.19	1.31	-51.80
CC(CCNC(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053431	0	38	-1.0	-53.53	325.09	0.96	-52.57
CC(CCNC(=O)C(C)(C)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005053432	0	37	-1.0	-50.66	319.82	0.14	-50.52
CC(CCNC(=O)C(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005053433	0	34	-1.0	-48.40	306.00	-0.38	-48.78
COCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053434	0	35	-1.0	-56.73	306.87	-1.21	-57.94
CCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053435	0	37	-1.0	-53.02	315.65	0.19	-52.83
CC(CCNC(=O)C1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053436	0	35	-1.0	-53.05	313.77	-0.27	-53.32
CC(=O)NCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053437	0	38	-1.0	-53.31	332.83	-2.90	-56.21
CC(C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053438	0	40	-1.0	-52.64	332.38	0.78	-51.86
CC(CCNC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053439	0	38	-1.0	-53.05	326.05	0.86	-52.19
CCOCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053440	0	38	-1.0	-56.76	328.73	-0.25	-57.01
CC(C)=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053441	0	38	-1.0	-52.19	323.62	0.74	-51.45
CC(CCNC(=O)C1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053442	0	39	-1.0	-57.59	330.17	-0.01	-57.60
CSCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053443	0	35	-1.0	-55.87	317.21	-0.15	-56.02
CC(C)CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053444	0	43	-1.0	-53.03	354.72	1.48	-51.55
CC(CCNC(=O)C1=CC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053445	0	36	-1.0	-56.37	316.66	-0.49	-56.86
CC(CCNC(=O)C1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053446	0	35	-1.0	-57.30	312.94	-0.31	-57.61
CCCCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053447	0	43	-1.0	-53.07	358.65	1.75	-51.32
CC(CCNC(=O)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053448	0	43	-1.0	-51.72	347.35	1.30	-50.42
CCCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053449	0	40	-1.0	-53.15	337.15	0.97	-52.18
CC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053450	0	37	-1.0	-52.81	313.70	0.10	-52.71
CCC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053451	0	40	-1.0	-52.93	331.82	0.74	-52.19
CCC(CC)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053452	0	43	-1.0	-53.05	347.68	1.23	-51.82
CC(CCNC(=O)C1=CC=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053453	0	35	-1.0	-53.30	311.36	-1.80	-55.10
CCOC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053454	0	41	-1.0	-56.91	348.51	0.45	-56.46
CC(CCNC(=O)C1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053455	0	35	-1.0	-54.47	311.65	-1.85	-56.32
COCCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053456	0	41	-1.0	-56.09	349.32	-0.74	-56.83
CC(CCNC(=O)C1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053457	0	34	-1.0	-52.78	308.25	-1.03	-53.81
CCC=C(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053458	0	41	-1.0	-53.38	342.85	1.47	-51.91
COC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053459	0	38	-1.0	-56.73	325.86	-0.45	-57.18
CC(C)OCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053460	0	41	-1.0	-56.72	349.00	0.48	-56.24
CCCOCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053461	0	41	-1.0	-56.60	350.23	0.55	-56.05
CC(CCNC(=O)C1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053462	0	39	-1.0	-55.05	328.18	-1.27	-56.32
CCC(OC)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053463	0	41	-1.0	-54.98	347.87	0.32	-54.66
COC(C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053464	0	41	-1.0	-54.63	346.96	0.02	-54.61
C=CCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053465	0	38	-1.0	-52.80	328.46	0.75	-52.05
CCOCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053466	0	41	-1.0	-52.29	349.68	-0.54	-52.83
COCC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053467	0	41	-1.0	-52.14	346.53	-0.79	-52.93
C=CCOCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053468	0	39	-1.0	-57.13	341.63	0.32	-56.81
CC(CCNC(=O)C1=COC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053469	0	34	-1.0	-52.80	308.55	-3.67	-56.47
CCCC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053470	0	43	-1.0	-52.99	353.32	1.50	-51.49
CC(CCNC(=O)CCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053471	0	41	-1.0	-53.17	347.27	1.74	-51.43
CC(CCNC(=O)C1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053472	0	39	-1.0	-52.83	329.69	1.18	-51.65
CC(CCNC(=O)CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053473	0	41	-1.0	-53.39	342.06	1.47	-51.92
CC(CCNC(=O)C(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053474	0	41	-1.0	-53.44	343.01	1.53	-51.91
CC=C(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053475	0	38	-1.0	-53.51	322.46	0.70	-52.81
CC(CCNC(=O)C1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053476	0	41	-1.0	-53.21	341.31	1.31	-51.90
CC(CCNC(=O)C=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053477	0	39	-1.0	-53.42	333.31	1.41	-52.01
CC(C)=C(F)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053478	0	38	-1.0	-48.72	327.99	0.79	-47.93
CC(CCNC(=O)C1=CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053479	0	39	-1.0	-53.15	330.74	1.28	-51.87
CC(CCNC(=O)C1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053480	0	41	-1.0	-52.25	341.27	1.41	-50.84
CC(CCNC(=O)[C@H]1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053481	0	41	-1.0	-52.26	341.27	1.41	-50.85
CC(CCNC(=O)[C@@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053482	0	39	-1.0	-57.55	330.17	-0.02	-57.57
CCC(C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053483	0	43	-1.0	-52.65	350.61	1.44	-51.21
C#CCCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053484	0	39	-1.0	-56.07	342.93	1.49	-54.58
CC(CCNC(=O)CC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005053485	0	41	-1.0	-56.26	341.14	-1.48	-57.74
CC(C)[C@@H](O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053486	0	41	-1.0	-52.66	340.17	-0.85	-53.51
CCC(C)=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053487	0	41	-1.0	-51.81	345.31	1.48	-50.33
CC(C)C#CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053488	0	39	-1.0	-53.29	343.54	1.45	-51.84
CC(CCNC(=O)C#CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053489	0	37	-1.0	-53.38	333.22	1.61	-51.77
C=C(C)CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053490	0	41	-1.0	-52.50	350.07	1.42	-51.08
CC(CCNC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053491	0	38	-1.0	-52.99	322.42	0.80	-52.19
CC(CCNC(=O)[C@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053492	0	39	-1.0	-57.60	330.17	-0.02	-57.62
CC(CCNC(=O)C1=NNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053493	0	34	-1.0	-51.16	307.07	-3.25	-54.41
CC(CCNC(=O)C1=CN=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053493	1	34	-1.0	-53.89	306.16	-3.19	-57.08
CC(CCNC(=O)CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053494	0	41	-1.0	-52.83	345.09	1.44	-51.39
CC(CCNC(=O)C1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053495	0	34	-1.0	-53.62	308.56	-3.56	-57.18
C=CC(C)(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053496	0	41	-1.0	-53.17	341.34	1.06	-52.11
CC(CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053497	0	38	-1.0	-53.03	326.05	0.86	-52.17
CC(CCNC(=O)C1(C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053498	0	41	-1.0	-53.24	338.08	1.23	-52.01
CCC(F)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053499	0	37	-1.0	-53.25	321.92	0.23	-53.02
CC(CCNC(=O)CCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005053500	0	37	-1.0	-56.05	322.24	0.33	-55.72
CC(CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053501	0	38	-1.0	-53.01	326.06	0.87	-52.14
C=CCCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053502	0	41	-1.0	-53.52	349.96	1.53	-51.99
CCC(C)(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053503	0	43	-1.0	-53.22	346.81	1.16	-52.06
CC(CCNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005053504	0	32	-1.0	-49.47	289.50	-5.25	-54.72
CC(CCNC(=O)CC1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053505	0	41	-1.0	-53.57	346.47	1.64	-51.93
CCC1(C(=O)NCCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005053506	0	41	-1.0	-53.19	347.11	1.37	-51.82
CC(CCNC(=O)C1(CF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053507	0	38	-1.0	-56.73	332.27	0.84	-55.89
CC(CCNC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053508	0	40	-1.0	-53.00	332.59	0.66	-52.34
CC(C)C(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053509	0	43	-1.0	-52.32	347.72	1.30	-51.02
CC[C@@H]1C[C@H]1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053510	0	41	-1.0	-53.08	347.46	1.62	-51.46
CC(CCNC(=O)C1CC12CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005053511	0	39	-1.0	-53.38	337.12	1.65	-51.73
CC(CCNC(=O)[C@@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053512	0	36	-1.0	-60.64	319.10	-3.89	-64.53
CC(CCNC(=O)[C@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053513	0	36	-1.0	-61.22	318.62	-4.23	-65.45
COC1(C(=O)NCCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005053514	0	39	-1.0	-55.47	332.66	-0.03	-55.50
CC(CCNC(=O)C1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053515	0	36	-1.0	-52.58	320.75	0.34	-52.24
C=CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053516	0	35	-1.0	-53.24	307.06	-0.03	-53.27
CC(CCNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053517	0	40	0.0	-72.39	329.74	0.14	-72.25
CC(CCNC(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053517	1	39	-1.0	-53.55	327.65	-2.24	-55.79
C=CC(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053518	0	36	-1.0	-53.27	318.16	-2.16	-55.43
CC(CCNC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053519	0	36	-1.0	-53.34	311.51	-2.08	-55.42
CO[C@H](C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053520	0	38	-1.0	-56.58	326.66	-0.51	-57.09
CC=CC(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053521	0	39	-1.0	-53.07	339.86	-1.31	-54.38
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053522	0	43	0.0	-70.17	347.64	0.54	-69.63
CC(CCNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053522	1	42	-1.0	-53.49	341.81	-1.87	-55.36
CCC=C(F)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053523	0	38	-1.0	-49.13	333.00	0.84	-48.29
CCC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053524	0	38	-1.0	-53.05	328.81	0.79	-52.26
CC(CCNC(=O)C(C)(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005053526	0	41	-1.0	-52.40	341.93	-2.54	-54.94
CC(CCNC(=O)C1(F)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053527	0	38	-1.0	-49.72	327.25	0.74	-48.98
CC(CCNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005053528	0	32	-1.0	-58.38	284.62	-3.49	-61.87
CC(CCNC(=O)C=CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005053529	0	36	-1.0	-54.06	324.11	-3.93	-57.99
CC(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053530	0	35	-1.0	-54.09	304.95	-2.71	-56.80
CC(CCNC(=O)C1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053531	0	39	-1.0	-52.54	328.99	-2.34	-54.88
CC(CCNC(=O)C(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053532	0	39	-1.0	-52.91	336.94	-1.17	-54.08
C=CCC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053533	0	41	-1.0	-52.61	346.32	1.34	-51.27
CC(CCNC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005053534	0	35	-1.0	-56.88	310.88	0.25	-56.63
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053535	0	43	0.0	-70.17	347.64	0.54	-69.63
CC(CCNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053535	1	42	-1.0	-53.49	341.81	-1.87	-55.36
CC(CCNC(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005053536	0	34	-1.0	-51.81	300.74	-0.44	-52.25
CC(CCNC(=O)C1(O)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053537	0	37	-1.0	-53.37	319.75	-4.59	-57.96
CC(C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005053538	0	39	-1.0	-54.03	336.93	1.65	-52.38
CCC1CC1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053539	0	41	-1.0	-53.09	347.46	1.62	-51.47
CC(CCNC(=O)CC1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053540	0	39	-1.0	-57.41	335.74	-2.54	-59.95
CC(CCNC(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005053541	0	35	-1.0	-55.21	313.91	0.15	-55.06
C#CCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053542	0	36	-1.0	-52.83	321.43	0.71	-52.12
CC(CCNC(=O)CN1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053543	0	40	-1.0	-54.72	335.52	-2.67	-57.39
CC(CCNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053543	1	41	0.0	-72.50	339.84	0.56	-71.94
C#C[C@H]1C[C@H]1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053544	0	37	-1.0	-56.26	327.54	1.35	-54.91
CC(CCNC(=O)C1C2CCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005053545	0	39	-1.0	-53.21	327.37	1.52	-51.69
C=C1CCC1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053546	0	39	-1.0	-52.30	333.71	1.17	-51.13
CC(CCNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053547	0	41	-1.0	-51.72	334.85	1.35	-50.37
CC(CCNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053548	0	43	0.0	-71.18	347.88	0.56	-70.62
CC(CCNC(=O)[C@@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053548	1	42	-1.0	-53.49	341.50	-1.90	-55.39
CC=CC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053549	0	39	-1.0	-53.20	342.89	1.47	-51.73
COCC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053550	0	39	-1.0	-55.34	341.08	-0.93	-56.27
CC(CCNC(=O)C1(C)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053551	0	39	-1.0	-53.22	329.85	-1.48	-54.70
CC(CCNC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053552	0	36	-1.0	-58.00	313.04	-1.05	-59.05
CC(CCNC(=O)CCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005053553	0	36	-1.0	-51.55	324.28	-3.96	-55.51
C#CCOCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053554	0	37	-1.0	-59.68	334.51	0.28	-59.40
CC(CCNC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005053555	0	38	-1.0	-50.61	324.63	-3.14	-53.75
CC1=CC1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053556	0	36	-1.0	-53.53	319.68	0.89	-52.64
CC(CCNC(=O)C(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053557	0	38	-1.0	-48.54	326.35	-1.95	-50.49
CSC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053558	0	36	-1.0	-52.15	329.77	0.33	-51.82
CCC(C)(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053559	0	41	-1.0	-50.69	341.25	-2.48	-53.17
CC[N@H+](C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053560	0	43	0.0	-71.90	347.47	0.80	-71.10
CC[N@@H+](C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053560	1	43	0.0	-71.87	347.47	0.80	-71.07
CCN(C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053560	1	42	-1.0	-53.43	345.63	-1.46	-54.89
C=C1CC(C(=O)NCCC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053561	0	39	-1.0	-52.57	334.40	1.20	-51.37
CC(CCNC(=O)C1CCC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005053562	0	38	-1.0	-57.77	325.36	0.81	-56.96
CC(CCNC(=O)C1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053563	0	35	-1.0	-57.50	311.48	-0.75	-58.25
CC(CCNC(=O)C1=CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053564	0	37	-1.0	-51.28	322.25	-0.70	-51.98
CCC[C@H](O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053565	0	41	-1.0	-53.02	346.94	-1.10	-54.12
CC(C)[C@H](O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053566	0	41	-1.0	-53.31	341.24	-1.20	-54.51
CCOC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053567	0	39	-1.0	-51.93	340.79	-0.35	-52.28
CC(CCNC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005053568	0	35	-1.0	-58.13	305.30	-2.73	-60.86
CC(CCNC(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005053569	0	36	-1.0	-56.83	318.83	-3.33	-60.16
COC(C)(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053570	0	41	-1.0	-57.26	338.60	-0.02	-57.28
CC(CCNC(=O)CCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005053571	0	41	-1.0	-54.04	348.57	-2.37	-56.41
CC(CCNC(=O)C1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053572	0	39	-1.0	-57.45	337.09	-2.65	-60.10
COC(F)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053573	0	35	-1.0	-56.67	312.77	-1.73	-58.40
CC(CCNC(=O)C12CC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005053574	0	39	-1.0	-53.34	333.09	1.38	-51.96
C=C[C@H](C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053575	0	41	-1.0	-52.49	345.16	1.30	-51.19
CC(CCNC(=O)C=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053576	0	39	-1.0	-53.06	339.71	1.60	-51.46
CC=C(CC)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053577	0	41	-1.0	-53.09	343.50	1.42	-51.67
C=CC(C)(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053578	0	39	-1.0	-51.32	334.82	-2.40	-53.72
CC(CCNC(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053579	0	36	-1.0	-54.02	315.15	0.76	-53.26
CON=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053580	0	35	-1.0	-55.79	316.62	-2.00	-57.79
CC(CCNC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053581	0	35	-1.0	-49.46	310.87	0.25	-49.21
CC(CCNC(=O)C1=NOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053582	0	36	-1.0	-49.77	318.20	-1.74	-51.51
C#CC(C)(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053583	0	39	-1.0	-55.94	338.41	1.10	-54.84
CC(CCNC(=O)COC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053584	0	39	-1.0	-57.86	339.10	0.52	-57.34
CC(CCNC(=O)C1=NC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053585	0	35	-1.0	-52.47	312.60	-1.54	-54.01
CCCC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053586	0	41	-1.0	-52.84	350.31	1.57	-51.27
CC=C(F)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053587	0	35	-1.0	-49.41	312.69	0.10	-49.31
CCC(CO)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053588	0	41	-1.0	-52.29	340.19	-2.15	-54.44
CC(CCNC(=O)C(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005053589	0	38	-1.0	-52.38	324.28	-3.19	-55.57
CC(CCNC(=O)C1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053590	0	34	-1.0	-53.00	307.88	-0.86	-53.86
CC(CCNC(=O)[C@@H]1C[C@H]1CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005053591	0	38	-1.0	-55.84	332.64	0.99	-54.85
C#CC1(C(=O)NCCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005053592	0	37	-1.0	-51.65	330.36	1.25	-50.40
CC(CCNC(=O)C1=COCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053593	0	37	-1.0	-53.47	320.85	-0.74	-54.21
CC(CCNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005053594	0	35	-1.0	-53.61	304.95	-2.71	-56.32
CC(CCNC(=O)C1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053595	0	39	-1.0	-52.50	329.72	1.22	-51.28
CC(O)C(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053596	0	41	-1.0	-56.71	341.20	-1.49	-58.20
C=C1CC1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053597	0	36	-1.0	-52.93	318.24	0.76	-52.17
CC(CCNC(=O)C(C)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005053598	0	37	-1.0	-51.36	319.50	0.22	-51.14
C=C(C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053599	0	38	-1.0	-52.96	328.41	0.61	-52.35
CC(C)=C(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053600	0	41	-1.0	-52.41	338.46	1.45	-50.96
CCCC(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053601	0	41	-1.0	-53.02	346.94	-1.10	-54.12
CCC(O)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053602	0	41	-1.0	-56.97	346.32	-1.43	-58.40
CC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053603	0	35	-1.0	-53.25	307.73	0.03	-53.22
CC(CCNC(=O)C1(C)CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005053604	0	38	-1.0	-52.05	328.63	0.87	-51.18
CC(CCNC(=O)[C@H]1C[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053605	0	39	-1.0	-57.56	332.29	-2.71	-60.27
CC(CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053606	0	38	-1.0	-53.03	326.05	0.86	-52.17
CNC(=O)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053607	0	38	-1.0	-66.17	330.24	-1.53	-67.70
C=CC=CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053608	0	39	-1.0	-53.77	342.31	1.39	-52.38
CC(CCNC(=O)CCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005053609	0	38	-1.0	-53.63	331.83	-3.75	-57.38
CC(O)CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053610	0	41	-1.0	-52.67	347.46	-2.31	-54.98
C#CCC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053611	0	39	-1.0	-52.58	339.30	1.28	-51.30
CC(CCNC(=O)C(C)CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005053612	0	41	-1.0	-57.07	343.24	-2.61	-59.68
CC(CCNC(=O)[C@H](O)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005053613	0	35	-1.0	-53.96	311.26	-2.56	-56.52
CC(CCNC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053614	0	36	-1.0	-52.07	312.99	-2.88	-54.95
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005053615	0	38	-1.0	-48.06	325.09	0.95	-47.11
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)F	REAL250005053616	0	37	-1.0	-47.57	320.97	0.06	-47.51
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(F)F	REAL250005053617	0	34	-1.0	-45.76	306.01	-0.40	-46.16
COCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053618	0	35	-1.0	-51.13	306.88	-1.23	-52.36
CCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053619	0	37	-1.0	-47.82	315.65	0.17	-47.65
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CO1	REAL250005053620	0	35	-1.0	-49.07	313.77	-0.27	-49.34
CC(=O)NCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053621	0	38	-1.0	-50.55	332.53	-2.90	-53.45
CC(C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053622	0	40	-1.0	-47.29	332.38	0.77	-46.52
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005053623	0	38	-1.0	-47.90	326.05	0.85	-47.05
CCOCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053624	0	38	-1.0	-51.12	328.73	-0.27	-51.39
CC(C)=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053625	0	38	-1.0	-47.35	323.47	0.72	-46.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCO1	REAL250005053626	0	39	-1.0	-51.07	330.17	-0.03	-51.10
CSCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053627	0	35	-1.0	-50.15	317.22	-0.17	-50.32
CC(C)CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053628	0	43	-1.0	-47.72	354.72	1.46	-46.26
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1	REAL250005053629	0	36	-1.0	-50.72	316.66	-0.50	-51.22
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=C1	REAL250005053630	0	35	-1.0	-51.64	312.93	-0.32	-51.96
CCCCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053631	0	43	-1.0	-47.78	358.65	1.73	-46.05
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C	REAL250005053632	0	43	-1.0	-46.40	347.35	1.29	-45.11
CCCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053633	0	40	-1.0	-47.83	337.15	0.95	-46.88
CC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053634	0	37	-1.0	-47.67	313.70	0.07	-47.60
CCC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053635	0	40	-1.0	-47.62	331.83	0.72	-46.90
CCC(CC)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053636	0	43	-1.0	-47.17	352.82	1.25	-45.92
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1	REAL250005053637	0	35	-1.0	-49.40	311.36	-1.81	-51.21
CCOC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053638	0	41	-1.0	-50.98	348.52	0.42	-50.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1	REAL250005053639	0	35	-1.0	-50.51	311.65	-1.87	-52.38
COCCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053640	0	41	-1.0	-50.26	349.33	-0.76	-51.02
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC=C1	REAL250005053641	0	34	-1.0	-50.08	308.25	-1.03	-51.11
CCC=C(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053642	0	41	-1.0	-48.11	342.85	1.49	-46.62
COC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053643	0	38	-1.0	-50.75	326.67	-0.52	-51.27
CC(C)OCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053644	0	41	-1.0	-50.95	349.00	0.46	-50.49
CCCOCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053645	0	41	-1.0	-50.95	350.23	0.53	-50.42
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1	REAL250005053646	0	39	-1.0	-48.82	328.18	-1.27	-50.09
CCC(OC)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053647	0	41	-1.0	-49.39	347.87	0.30	-49.09
COC(C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053648	0	41	-1.0	-49.61	346.97	-0.01	-49.62
C=CCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053649	0	38	-1.0	-47.66	328.46	0.73	-46.93
CCOCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053650	0	41	-1.0	-47.94	349.68	-0.56	-48.50
COCC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053651	0	41	-1.0	-47.75	346.54	-0.81	-48.56
C=CCOCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053652	0	39	-1.0	-51.30	341.63	0.31	-50.99
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=N1	REAL250005053653	0	34	-1.0	-49.80	308.56	-3.69	-53.49
CC(C#N)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053654	0	35	-1.0	-54.32	313.13	-0.31	-54.63
CCCC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053655	0	43	-1.0	-47.61	353.33	1.47	-46.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CC1	REAL250005053656	0	41	-1.0	-47.95	347.27	1.74	-46.21
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CC1	REAL250005053657	0	39	-1.0	-47.65	329.69	1.18	-46.47
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCC1	REAL250005053658	0	41	-1.0	-47.83	342.06	1.46	-46.37
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C1CC1	REAL250005053659	0	41	-1.0	-47.87	343.01	1.51	-46.36
CC=C(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053660	0	38	-1.0	-48.29	322.47	0.70	-47.59
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)C1	REAL250005053661	0	41	-1.0	-47.54	340.62	1.29	-46.25
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCC1	REAL250005053662	0	39	-1.0	-48.23	333.31	1.40	-46.83
CC(C)=C(F)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053663	0	38	-1.0	-46.07	328.58	0.79	-45.28
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCC1	REAL250005053664	0	39	-1.0	-48.13	330.74	1.27	-46.86
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(C)C	REAL250005053665	0	41	-1.0	-47.09	341.27	1.40	-45.69
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(C)C	REAL250005053666	0	41	-1.0	-47.08	341.27	1.40	-45.68
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCO1	REAL250005053667	0	39	-1.0	-51.99	330.57	-0.03	-52.02
CCC(C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053668	0	43	-1.0	-47.25	350.61	1.43	-45.82
C#CCCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053669	0	39	-1.0	-50.37	342.93	1.47	-48.90
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)O	REAL250005053670	0	41	-1.0	-49.14	341.46	-1.34	-50.48
CC(C)[C@@H](O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053671	0	41	-1.0	-48.31	340.10	-2.11	-50.42
CCC(C)=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053672	0	41	-1.0	-46.96	345.31	1.47	-45.49
CC(C)C#CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053673	0	39	-1.0	-49.22	343.55	1.44	-47.78
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1CC1	REAL250005053674	0	37	-1.0	-49.52	333.22	1.61	-47.91
CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053675	0	34	-1.0	-47.97	294.15	-0.59	-48.56
COCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053676	0	38	-1.0	-48.05	327.83	-1.52	-49.57
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005053677	0	35	-1.0	-47.98	304.67	0.18	-47.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005053678	0	38	-1.0	-47.73	320.89	0.69	-47.04
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1	REAL250005053679	0	41	-1.0	-47.69	337.21	1.27	-46.42
C=CCCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053680	0	41	-1.0	-48.10	349.96	1.51	-46.59
CCC(C)(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053681	0	43	-1.0	-47.70	346.81	1.13	-46.57
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005053682	0	32	-1.0	-48.05	289.50	-5.26	-53.31
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1C	REAL250005053683	0	41	-1.0	-48.02	346.47	1.62	-46.40
CCC1(C(=O)NC(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005053684	0	41	-1.0	-47.99	346.99	1.36	-46.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005053685	0	40	-1.0	-47.58	332.59	0.63	-46.95
C=C(C)CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053686	0	41	-1.0	-47.46	350.08	1.40	-46.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CC1	REAL250005053687	0	38	-1.0	-47.94	327.15	0.87	-47.07
CC(C)C(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053688	0	43	-1.0	-46.96	347.73	1.28	-45.68
CC[C@@H]1C[C@H]1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053689	0	41	-1.0	-47.87	347.46	1.61	-46.26
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CC2	REAL250005053690	0	39	-1.0	-48.27	337.12	1.64	-46.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCO1	REAL250005053691	0	39	-1.0	-51.77	330.15	-0.03	-51.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C)CC1	REAL250005053692	0	41	-1.0	-47.43	345.09	1.44	-45.99
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005053693	0	38	-1.0	-47.77	322.43	0.77	-47.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC=C1	REAL250005053694	0	36	-1.0	-53.31	316.79	-0.43	-53.74
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CO1	REAL250005053695	0	34	-1.0	-49.68	308.56	-3.57	-53.25
C=CC(C)(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053696	0	41	-1.0	-47.72	341.35	1.03	-46.69
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005053697	0	38	-1.0	-47.86	326.04	0.85	-47.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCC1	REAL250005053698	0	41	-1.0	-47.74	338.08	1.20	-46.54
CCC(F)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053699	0	37	-1.0	-48.02	321.93	0.22	-47.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCF	REAL250005053700	0	37	-1.0	-50.16	322.24	0.31	-49.85
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005053701	0	38	-1.0	-47.86	326.06	0.85	-47.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNN=C1	REAL250005053702	0	34	-1.0	-48.06	307.07	-3.25	-51.31
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1	REAL250005053702	1	34	-1.0	-50.03	306.16	-3.20	-53.23
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005053703	0	32	-1.0	-52.62	284.62	-3.51	-56.13
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(N)=O	REAL250005053704	0	36	-1.0	-51.35	324.12	-3.96	-55.31
COC(=O)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053705	0	37	-1.0	-55.23	326.10	0.36	-54.87
CSC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053706	0	36	-1.0	-47.97	329.77	0.34	-47.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(N)=O	REAL250005053707	0	38	-1.0	-50.75	331.83	-3.76	-54.51
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005053708	0	36	-1.0	-52.02	312.63	-0.97	-52.99
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCO1	REAL250005053709	0	37	-1.0	-47.77	322.25	-0.71	-48.48
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005053710	0	36	-1.0	-48.61	311.51	-2.09	-50.70
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005053711	0	36	-1.0	-51.09	318.83	-3.34	-54.43
CC=CC(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053712	0	39	-1.0	-48.77	337.22	-1.15	-49.92
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005053713	0	43	0.0	-66.47	347.85	0.54	-65.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005053713	1	42	-1.0	-48.39	341.81	-1.89	-50.28
CCC=C(F)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053714	0	38	-1.0	-46.23	333.00	0.83	-45.40
CCC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053715	0	38	-1.0	-47.98	328.82	0.78	-47.20
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCN=[N+]=[N-]	REAL250005053716	0	36	-1.0	-47.12	324.30	-3.98	-51.10
C#CCOCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053717	0	37	-1.0	-53.74	334.52	0.27	-53.47
CC(O)CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053718	0	41	-1.0	-48.77	347.50	-2.33	-51.10
C#CCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053719	0	36	-1.0	-48.17	321.43	0.69	-47.48
CC=CC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053720	0	39	-1.0	-48.23	342.89	1.45	-46.78
COCC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053721	0	39	-1.0	-49.77	341.08	-0.94	-50.71
CCC(C)(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053722	0	41	-1.0	-46.36	341.25	-2.51	-48.87
C#CCC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053723	0	39	-1.0	-47.86	339.31	1.25	-46.61
C=CC(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053724	0	36	-1.0	-48.90	315.51	-2.01	-50.91
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC1CC2	REAL250005053725	0	39	-1.0	-48.19	333.13	1.38	-46.81
C=C[C@H](C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053726	0	41	-1.0	-47.10	345.16	1.30	-45.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CC1	REAL250005053727	0	39	-1.0	-47.99	339.70	1.60	-46.39
CCC(C#N)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053728	0	38	-1.0	-48.02	333.76	0.34	-47.68
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCC21	REAL250005053729	0	39	-1.0	-47.76	327.37	1.52	-46.24
C=C1CCC1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053730	0	39	-1.0	-47.74	333.79	1.16	-46.58
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005053731	0	41	-1.0	-47.89	342.54	1.39	-46.50
CC[N@H+](C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053732	0	43	0.0	-66.71	347.47	0.80	-65.91
CC[N@@H+](C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053732	1	43	0.0	-66.66	347.47	0.80	-65.86
CCN(C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053732	1	42	-1.0	-48.09	345.63	-1.46	-49.55
CC(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053733	0	35	-1.0	-48.41	304.95	-2.73	-51.14
CC(=O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053734	0	33	-1.0	-46.74	295.90	-1.47	-48.21
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC#N	REAL250005053735	0	38	-1.0	-55.27	336.51	0.69	-54.58
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C#N)CC1	REAL250005053736	0	36	-1.0	-49.94	323.94	0.41	-49.53
C=C1CC(C(=O)NC(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053737	0	39	-1.0	-47.58	334.40	1.20	-46.38
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005053738	0	35	-1.0	-47.10	310.86	0.23	-46.87
COC(C)(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053739	0	41	-1.0	-51.18	338.61	-0.05	-51.23
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CC#N	REAL250005053740	0	38	-1.0	-49.33	332.88	0.44	-48.89
CCC1CC1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053741	0	41	-1.0	-47.83	347.46	1.61	-46.22
C=CC(C)(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053742	0	39	-1.0	-46.56	334.82	-2.44	-49.00
CCCC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053743	0	41	-1.0	-47.82	350.31	1.56	-46.26
CC=C(F)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053744	0	35	-1.0	-46.43	312.70	0.09	-46.34
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005053745	0	43	0.0	-66.42	347.88	0.55	-65.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)N(C)C	REAL250005053745	1	42	-1.0	-48.13	339.35	-1.91	-50.04
CCOC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053746	0	39	-1.0	-48.28	340.79	-0.34	-48.62
CC(=O)OCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053747	0	37	-1.0	-51.68	330.23	0.36	-51.32
CC(=O)C=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053748	0	37	-1.0	-49.59	331.10	-0.12	-49.71
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC1	REAL250005053749	0	39	-1.0	-51.86	339.10	0.52	-51.34
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1	REAL250005053750	0	35	-1.0	-50.18	312.60	-1.56	-51.74
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CO	REAL250005053751	0	38	-1.0	-48.23	324.28	-3.22	-51.45
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CON=C1	REAL250005053752	0	34	-1.0	-49.27	307.88	-0.87	-50.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCO	REAL250005053753	0	41	-1.0	-49.35	348.57	-2.39	-51.74
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C1CC1	REAL250005053754	0	37	-1.0	-46.84	327.49	0.13	-46.71
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC1	REAL250005053755	0	39	-1.0	-51.19	336.10	-2.57	-53.76
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1F	REAL250005053756	0	38	-1.0	-51.35	324.82	0.77	-50.58
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CF	REAL250005053757	0	38	-1.0	-49.92	332.64	0.98	-48.94
CCC(CO)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053758	0	41	-1.0	-46.96	340.19	-2.18	-49.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@@H]1C#N	REAL250005053759	0	36	-1.0	-57.12	321.65	0.48	-56.64
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCC1	REAL250005053760	0	37	-1.0	-48.47	320.85	-0.75	-49.22
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005053761	0	36	-1.0	-48.43	312.99	-2.90	-51.33
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005053762	0	36	-1.0	-48.83	315.16	0.75	-48.08
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CF	REAL250005053763	0	37	-1.0	-46.96	319.50	0.19	-46.77
CC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053764	0	35	-1.0	-48.28	307.73	0.02	-48.26
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1F	REAL250005053765	0	38	-1.0	-51.42	327.11	0.89	-50.53
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005053766	0	35	-1.0	-49.70	313.91	0.14	-49.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CC1	REAL250005053767	0	39	-1.0	-50.96	337.13	-2.67	-53.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NO1	REAL250005053768	0	34	-1.0	-48.22	308.25	-0.87	-49.09
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005053770	0	35	-1.0	-52.14	305.29	-2.75	-54.89
CON=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053771	0	35	-1.0	-51.13	316.62	-2.01	-53.14
CC(C)[C@H](O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053772	0	41	-1.0	-47.71	341.25	-1.23	-48.94
C#CC1(C(=O)NC(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005053773	0	37	-1.0	-47.33	330.36	1.23	-46.10
C=CC=CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053774	0	39	-1.0	-48.46	342.32	1.37	-47.09
C#C[C@H]1C[C@H]1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053775	0	37	-1.0	-50.39	327.54	1.35	-49.04
CC=C(CC)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053776	0	41	-1.0	-48.07	343.50	1.41	-46.66
COC(F)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053777	0	35	-1.0	-51.19	312.77	-1.75	-52.94
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C#N	REAL250005053778	0	36	-1.0	-50.85	325.67	0.60	-50.25
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005053779	0	39	-1.0	-51.03	332.30	-2.73	-53.76
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CO	REAL250005053780	0	41	-1.0	-47.94	341.94	-2.57	-50.51
C=CCC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053781	0	41	-1.0	-47.34	346.33	1.31	-46.03
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005053782	0	38	-1.0	-47.86	326.04	0.85	-47.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005053783	0	38	-1.0	-46.44	324.63	-3.17	-49.61
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOCC1	REAL250005053784	0	36	-1.0	-47.97	318.20	-1.73	-49.70
CC(C#N)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053785	0	38	-1.0	-48.96	331.70	0.45	-48.51
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CCO	REAL250005053786	0	41	-1.0	-51.07	343.25	-2.65	-53.72
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)CF	REAL250005053787	0	35	-1.0	-50.40	311.26	-2.56	-52.96
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCC1	REAL250005053788	0	39	-1.0	-48.79	328.99	-2.36	-51.15
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CC1	REAL250005053789	0	39	-1.0	-47.69	333.23	-0.94	-48.63
C=C(C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053790	0	38	-1.0	-48.01	328.68	0.60	-47.41
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C#N	REAL250005053791	0	38	-1.0	-53.63	331.98	0.20	-53.43
CC(C)=C(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053792	0	41	-1.0	-47.34	338.46	1.42	-45.92
CNC(=O)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053793	0	38	-1.0	-58.65	330.24	-1.56	-60.21
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(F)C1	REAL250005053794	0	38	-1.0	-46.87	327.50	0.78	-46.09
C=CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053795	0	35	-1.0	-48.07	307.07	-0.05	-48.12
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005053796	0	40	0.0	-67.52	329.74	0.13	-67.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005053796	1	39	-1.0	-48.24	327.66	-2.25	-50.49
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC#N	REAL250005053797	0	32	-1.0	-56.13	293.62	-0.91	-57.04
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005053798	0	35	-1.0	-52.08	310.87	0.24	-51.84
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005053799	0	43	0.0	-66.47	347.85	0.54	-65.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005053799	1	42	-1.0	-48.39	341.81	-1.89	-50.28
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005053800	0	34	-1.0	-47.40	300.75	-0.45	-47.85
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=CCC1	REAL250005053801	0	39	-1.0	-47.62	329.72	1.21	-46.41
C#CC(C)(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053802	0	39	-1.0	-50.33	338.41	1.07	-49.26
CO[C@H](C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053803	0	38	-1.0	-50.79	326.66	-0.53	-51.32
CC(=O)CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053804	0	39	-1.0	-49.14	338.86	0.08	-49.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005053805	0	35	-1.0	-49.28	304.95	-2.73	-52.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1	REAL250005053806	0	40	-1.0	-49.61	335.52	-2.67	-52.28
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005053806	1	41	0.0	-67.39	339.84	0.55	-66.84
CC(O)C(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053807	0	41	-1.0	-50.56	341.20	-1.51	-52.07
C=C1CC1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053808	0	36	-1.0	-48.21	318.24	0.75	-47.46
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)COC1	REAL250005053809	0	39	-1.0	-48.21	329.85	-1.48	-49.69
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N1	REAL250005053810	0	36	-1.0	-54.21	319.02	-4.14	-58.35
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC(=O)N1	REAL250005053811	0	36	-1.0	-55.61	318.62	-4.24	-59.85
CCC[C@H](O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053812	0	41	-1.0	-47.97	346.94	-1.12	-49.09
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCC1	REAL250005053813	0	38	-1.0	-45.76	327.26	0.74	-45.02
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1	REAL250005053814	0	35	-1.0	-51.98	311.48	-0.75	-52.73
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)C1	REAL250005053815	0	37	-1.0	-49.93	323.62	-0.23	-50.16
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)COC1	REAL250005053816	0	37	-1.0	-49.82	319.75	-4.60	-54.42
CC(C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005053817	0	39	-1.0	-48.86	336.93	1.65	-47.21
CC1=CC1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053818	0	36	-1.0	-48.99	319.72	0.88	-48.11
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)N(C)C	REAL250005053819	0	38	-1.0	-47.61	326.35	-1.95	-49.56
CCCC(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053820	0	41	-1.0	-47.96	346.94	-1.12	-49.08
CCC(O)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053821	0	41	-1.0	-50.65	346.33	-1.46	-52.11
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC(=O)N1	REAL250005053822	0	36	-1.0	-55.64	318.62	-4.25	-59.89
COC1(C(=O)NC(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005053823	0	39	-1.0	-47.29	335.19	-0.77	-48.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CSC1	REAL250005053824	0	36	-1.0	-47.97	320.75	0.34	-47.63
C=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053825	0	32	-1.0	-48.35	286.00	-0.86	-49.21
CC(CCNC(=O)C1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053826	0	36	-1.0	-60.26	319.02	-4.11	-64.37
CC(CCNC(=O)C1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053827	0	38	-1.0	-53.48	327.09	0.76	-52.72
CC(CCNC(=O)C1=CC=NO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053828	0	34	-1.0	-50.49	308.26	-0.86	-51.35
CCC(=O)NCCCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005053829	0	41	-1.0	-53.85	332.13	2.07	-51.78
CC(=O)NCCCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005053830	0	38	-1.0	-54.05	311.54	1.27	-52.78
O=C(CO)NCCCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005053831	0	39	-1.0	-58.79	322.60	-0.85	-59.64
CCC(=O)N1CCCC1CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005053832	0	41	-1.0	-49.82	335.37	2.21	-47.61
CC(=O)N1CCCC1CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005053833	0	38	-1.0	-50.38	315.82	1.40	-48.98
O=C(CO)N1CCCC1CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005053834	0	39	-1.0	-54.74	325.84	-0.74	-55.48
C=CC(=O)N1CCCC1CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005053835	0	39	-1.0	-50.47	327.32	1.91	-48.56
COCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053836	0	35	-1.0	-51.06	301.93	-1.25	-52.31
CN(CCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053837	0	32	-1.0	-51.54	278.78	0.44	-51.10
CN(CCNC(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053838	0	35	-1.0	-51.50	294.73	0.93	-50.57
CN(CCNC(=O)C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053839	0	38	-1.0	-51.42	311.05	1.54	-49.88
CN(CCNC(=O)C1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053840	0	39	-1.0	-53.19	320.30	-0.20	-53.39
CN(CCNC(=O)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053841	0	35	-1.0	-52.00	299.19	1.21	-50.79
CN(CCNC(=O)C(C)(C)F)C(=O)C1=CC(=O)[N-]O1	REAL250005053842	0	34	-1.0	-48.56	295.07	0.33	-48.23
CN(CCNC(=O)C(C)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005053843	0	31	-1.0	-47.25	280.11	-0.13	-47.38
COCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053844	0	32	-1.0	-55.04	280.98	-0.96	-56.00
CN(CCNC(=O)C1=CC=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053845	0	34	-1.0	-52.14	300.60	0.26	-51.88
CN(CCNC(=O)C1=CC=NC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053846	0	34	-1.0	-52.58	298.83	0.22	-52.36
CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053847	0	34	-1.0	-51.62	289.75	0.44	-51.18
CN(CCNC(=O)C1=CC=CN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053848	0	34	-1.0	-52.27	298.63	0.19	-52.08
CN(CCNC(=O)C1=CC=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005053849	0	32	-1.0	-51.76	287.62	-0.04	-51.80
CC(=O)NCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053850	0	35	-1.0	-52.45	306.63	-2.64	-55.09
CN(CCNC(=O)C1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053851	0	35	-1.0	-52.86	303.65	1.97	-50.89
CC(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053852	0	37	-1.0	-51.21	306.48	1.02	-50.19
CN(CCNC(=O)C1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053853	0	41	-1.0	-51.09	329.43	2.24	-48.85
CN(CCNC(=O)C1=CN=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053854	0	33	-1.0	-52.21	295.65	-1.61	-53.82
CN(CCNC(=O)CC1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053855	0	41	-1.0	-51.67	331.45	2.29	-49.38
CN(CCNC(=O)C1=CC=CS1)C(=O)C1=CC(=O)[N-]O1	REAL250005053856	0	32	-1.0	-51.44	295.54	0.96	-50.48
CC1CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053857	0	35	-1.0	-51.62	300.15	1.09	-50.53
CCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053858	0	35	-1.0	-55.11	302.83	0.00	-55.11
CC(C)=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053859	0	35	-1.0	-50.94	297.73	0.99	-49.95
CN(CCNC(=O)C1=COCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005053860	0	35	-1.0	-56.60	301.55	-0.39	-56.99
CC(=O)NC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053861	0	38	-1.0	-52.98	326.48	-1.80	-54.78
CC1=CC=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL250005053862	0	35	-1.0	-51.15	309.53	0.79	-50.36
CN(CCNC(=O)C1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005053863	0	36	-1.0	-55.44	304.01	0.22	-55.22
CSCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053864	0	32	-1.0	-54.17	291.32	0.10	-54.07
CC1=CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005053865	0	34	-1.0	-50.80	304.03	0.04	-50.76
CSCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053866	0	35	-1.0	-50.60	312.99	0.91	-49.69
CC(C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053867	0	40	-1.0	-51.61	328.82	1.73	-49.88
CN(CCNC(=O)C1=CSC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053868	0	32	-1.0	-52.75	294.73	0.86	-51.89
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005053869	0	35	-1.0	-51.91	305.32	0.75	-51.16
CN(CCNC(=O)CC1C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053870	0	39	-1.0	-51.94	323.36	2.18	-49.76
CN(CCNC(=O)CN1C=NN=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053871	0	33	-1.0	-67.91	297.06	-0.77	-68.68
CN(CCNC(=O)C1=CN(C)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053872	0	35	-1.0	-54.02	308.43	-0.30	-54.32
CN(CCNC(=O)C1CC=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053873	0	39	-1.0	-50.89	321.71	2.11	-48.78
CC1=NOC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL250005053874	0	34	-1.0	-49.42	304.31	0.00	-49.42
CN(CCNC(=O)C1=CC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005053875	0	33	-1.0	-54.39	290.50	-0.25	-54.64
CC(=O)CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053876	0	39	-1.0	-60.81	334.34	1.13	-59.68
CN(CCNC(=O)C1=COC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053877	0	32	-1.0	-55.40	287.04	-0.07	-55.47
CN(CCNC(=O)CN1C=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053878	0	35	-1.0	-60.93	308.49	0.09	-60.84
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005053879	0	35	-1.0	-51.48	305.76	0.67	-50.81
CCCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053880	0	40	-1.0	-51.64	332.75	2.00	-49.64
CN(CCNC(=O)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005053881	0	40	-1.0	-50.42	321.45	1.55	-48.87
CN(CCNC(=O)C1=CC=CN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005053882	0	36	-1.0	-52.37	308.48	1.40	-50.97
CCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053883	0	37	-1.0	-51.71	311.25	1.22	-50.49
CC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053884	0	34	-1.0	-51.38	287.80	0.35	-51.03
CCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053885	0	37	-1.0	-51.44	305.93	0.99	-50.45
CC(=O)N(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053886	0	38	-1.0	-57.45	325.84	-0.27	-57.72
CCC(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053887	0	40	-1.0	-51.60	321.99	1.44	-50.16
CC(C)OCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053888	0	41	-1.0	-50.87	344.06	0.46	-50.41
CN(CCNC(=O)C1COCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005053889	0	37	-1.0	-54.69	312.96	-0.98	-55.67
CN(CCNC(=O)C1=CC=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005053890	0	32	-1.0	-51.77	285.21	-1.57	-53.34
CSC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053891	0	35	-1.0	-53.59	309.87	0.67	-52.92
CCOC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053892	0	38	-1.0	-54.84	322.62	0.70	-54.14
CCOCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053893	0	41	-1.0	-54.46	345.28	0.48	-53.98
CN(CCNC(=O)COCC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053894	0	39	-1.0	-55.40	334.24	1.56	-53.84
CN(CCNC(=O)CC1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005053895	0	39	-1.0	-55.34	324.10	0.68	-54.66
CN(CCNC(=O)C1=CNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053896	0	32	-1.0	-53.27	285.49	-1.61	-54.88
COCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053897	0	38	-1.0	-54.38	323.43	-0.49	-54.87
CCOC1CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053898	0	39	-1.0	-50.26	334.34	0.32	-49.94
CN(CCNC(=O)C1=NSN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053899	0	30	-1.0	-48.79	284.60	-2.08	-50.87
CN(CCNC(=O)C1=CN=NS1)C(=O)C1=CC(=O)[N-]O1	REAL250005053900	0	30	-1.0	-51.00	285.67	-1.44	-52.44
CN(CCNC(=O)C1=NOC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053901	0	31	-1.0	-51.90	282.09	-0.80	-52.70
CC(=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005053902	0	39	-1.0	-50.50	325.89	2.42	-48.08
CC1=NNC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL250005053903	0	35	-1.0	-51.80	307.41	-0.97	-52.77
CN(CCNC(=O)C1=CN=CS1)C(=O)C1=CC(=O)[N-]O1	REAL250005053904	0	31	-1.0	-52.42	290.55	-0.90	-53.32
CCC=C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053905	0	38	-1.0	-51.76	316.85	1.71	-50.05
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005053906	0	34	-1.0	-51.32	300.65	-2.60	-53.92
CCOC(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053907	0	41	-1.0	-53.49	342.99	1.55	-51.94
CN(CCNC(=O)CC(F)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005053908	0	31	-1.0	-54.86	285.67	0.09	-54.77
COC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053909	0	35	-1.0	-54.90	300.77	-0.25	-55.15
CC(C)OCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053910	0	38	-1.0	-54.94	323.10	0.72	-54.22
CCCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053911	0	38	-1.0	-54.83	324.33	0.80	-54.03
CN(CCNC(=O)C1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053912	0	36	-1.0	-53.66	302.17	-0.98	-54.64
CN(CCNC(=O)C1=CC=NN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005053913	0	35	-1.0	-52.00	303.69	-0.31	-52.31
CCC(OC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053914	0	38	-1.0	-53.68	321.48	0.57	-53.11
COCCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053915	0	41	-1.0	-52.29	344.92	0.29	-52.00
CCCC(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053916	0	43	-1.0	-51.15	346.21	2.45	-48.70
COC(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053917	0	38	-1.0	-52.57	321.07	0.27	-52.30
C=CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053918	0	35	-1.0	-51.55	302.56	1.00	-50.55
CN(CCNC(=O)C1=COCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053919	0	37	-1.0	-52.13	309.84	0.26	-51.87
CN(CCNC(=O)C1CCCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053920	0	39	-1.0	-50.88	320.49	-0.18	-51.06
CCOCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053921	0	38	-1.0	-50.97	323.78	-0.29	-51.26
CN(CCNC(=O)C1=CSC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053922	0	31	-1.0	-51.99	290.63	-1.04	-53.03
COCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053923	0	38	-1.0	-50.62	320.65	-0.54	-51.16
C=CCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053924	0	36	-1.0	-55.48	315.73	0.57	-54.91
CN(CCNC(=O)C1=COC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053925	0	31	-1.0	-51.97	282.66	-3.42	-55.39
CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053926	0	36	-1.0	-60.11	311.17	-2.44	-62.55
CC1=NC=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL250005053927	0	35	-1.0	-54.65	307.31	-0.66	-55.31
CN(CCNC(=O)C1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005053928	0	41	0.0	-70.32	324.03	0.95	-69.37
CN(CCNC(=O)C1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005053928	1	41	0.0	-70.11	324.27	0.94	-69.17
CN(CCNC(=O)C1CCCN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005053928	1	40	-1.0	-53.35	329.07	-0.88	-54.23
CCC(=O)NCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053929	0	38	-1.0	-52.08	327.22	-1.83	-53.91
CN(CCNC(=O)C=CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005053930	0	41	-1.0	-51.27	339.75	2.08	-49.19
CCCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053931	0	40	-1.0	-51.48	327.43	1.75	-49.73
CN(CCNC(=O)CCC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053932	0	38	-1.0	-51.65	321.37	2.01	-49.64
CCCCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053933	0	41	-1.0	-54.90	345.83	1.58	-53.32
CN(CCNC(=O)CC1=NOC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053934	0	34	-1.0	-59.94	302.48	0.02	-59.92
CN(CCNC(=O)CC1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053935	0	39	-1.0	-52.62	322.48	-0.29	-52.91
CN(CCNC(=O)C1CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053936	0	36	-1.0	-51.28	303.79	1.44	-49.84
CN(CCNC(=O)CC1=NNC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053937	0	35	-1.0	-59.21	307.35	-0.90	-60.11
CN(CCNC(=O)CC1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053938	0	38	-1.0	-51.88	316.16	1.73	-50.15
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005053939	0	34	-1.0	-51.87	300.37	-2.72	-54.59
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005053940	0	38	-1.0	-51.70	316.85	1.77	-49.93
CN(CCNC(=O)C1C2CCCC21)C(=O)C1=CC(=O)[N-]O1	REAL250005053941	0	39	-1.0	-51.72	316.65	2.60	-49.12
CN(CCNC(=O)CCC1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053942	0	41	-1.0	-51.50	337.99	2.52	-48.98
CC=C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053943	0	35	-1.0	-51.87	296.57	0.95	-50.92
CC1CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053944	0	38	-1.0	-51.69	315.15	1.56	-50.13
CN(CCNC(=O)C=C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053945	0	36	-1.0	-52.01	307.42	1.67	-50.34
CCC(=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)CC	REAL250005053946	0	41	-1.0	-50.02	337.23	2.44	-47.58
CC(C)=C(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053947	0	35	-1.0	-51.85	306.36	0.81	-51.04
CN(CCNC(=O)C1=CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053948	0	36	-1.0	-51.55	304.84	1.54	-50.01
CN(CCNC(=O)C1=CN(C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053949	0	36	-1.0	-54.32	313.42	1.55	-52.77
CN(CCNC(=O)C1=CN(C)C=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053950	0	35	-1.0	-54.56	308.96	1.18	-53.38
CN(CCNC(=O)C1CCCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005053951	0	39	-1.0	-54.94	321.94	1.03	-53.91
CN(CCNC(=O)C1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005053952	0	38	-1.0	-50.92	315.38	1.64	-49.28
CCC(C)OCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053953	0	41	-1.0	-54.94	343.87	1.53	-53.41
CN(CCNC(=O)[C@H]1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005053954	0	38	-1.0	-50.62	315.94	1.66	-48.96
CN(CCNC(=O)[C@@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005053955	0	36	-1.0	-55.78	304.03	0.22	-55.56
C#CCCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053956	0	39	-1.0	-52.49	338.53	2.52	-49.97
CCNC(=O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053957	0	38	-1.0	-63.62	325.83	-0.43	-64.05
COC(C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053958	0	41	-1.0	-51.78	342.97	0.28	-51.50
CN(CCNC(=O)C1=CN=CN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053959	0	33	-1.0	-52.04	293.58	0.00	-52.04
CN(CCNC(=O)C1=CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053960	0	37	-1.0	-51.91	310.98	-0.23	-52.14
CN(CCNC(=O)CC1=COC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053961	0	35	-1.0	-54.38	309.00	0.60	-53.78
CC1=NC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005053962	0	34	-1.0	-51.19	304.39	-2.72	-53.91
C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053963	0	37	-1.0	-53.85	319.16	-4.60	-58.45
CC1=CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005053964	0	35	-1.0	-55.12	308.69	0.76	-54.36
CCC(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053965	0	40	-1.0	-51.25	324.71	1.69	-49.56
C#CCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053966	0	36	-1.0	-54.51	317.04	1.74	-52.77
CN(CCNC(=O)CC(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005053967	0	38	-1.0	-54.74	315.24	-1.23	-55.97
COC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005053968	0	39	-1.0	-52.92	331.05	1.47	-51.45
CN(CCNC(=O)C1=CN=NN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005053969	0	34	-1.0	-52.07	298.55	-1.70	-53.77
CCCCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053970	0	43	-1.0	-51.36	348.93	2.53	-48.83
CN(CCNC(=O)C1CC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053971	0	41	-1.0	-51.38	329.36	1.94	-49.44
CC(C)[C@@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053972	0	38	-1.0	-51.33	314.21	-0.56	-51.89
CN(CCNC(=O)C1=CN(C)N=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053973	0	34	-1.0	-52.77	304.72	-1.71	-54.48
CN(CCNC(=O)C1=NN(C)C=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053974	0	34	-1.0	-58.19	304.15	0.39	-57.80
CN(CCNC(=O)C1CC1(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005053975	0	32	-1.0	-51.46	291.77	0.60	-50.86
CCC(C)=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053976	0	38	-1.0	-50.61	319.47	1.73	-48.88
CC(C)C#CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053977	0	36	-1.0	-51.77	317.65	1.70	-50.07
CN(CCNC(=O)CC1(O)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053978	0	39	-1.0	-51.74	322.96	-0.17	-51.91
CC1=CNN=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053979	0	35	-1.0	-53.56	304.91	-0.88	-54.44
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005053980	0	39	-1.0	-52.12	325.13	2.43	-49.69
CN(CCNC(=O)C#CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053981	0	34	-1.0	-52.02	307.32	1.87	-50.15
CN(CCNC(=O)C#CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005053982	0	39	-1.0	-51.55	337.79	2.23	-49.32
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1=CC(=O)[N-]O1	REAL250005053983	0	34	-1.0	-54.19	307.73	0.79	-53.40
CN(CCNC(=O)CCNC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005053984	0	37	-1.0	-62.43	321.99	-4.81	-67.24
CC1CCC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053985	0	41	-1.0	-51.35	331.95	2.15	-49.20
C#CCOCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053986	0	37	-1.0	-52.26	329.57	0.26	-52.00
C#CCOC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053987	0	37	-1.0	-57.41	328.40	1.24	-56.17
C=CCC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053988	0	41	-1.0	-51.42	335.85	2.00	-49.42
CN(CCNC(=O)C1CC12CCC2)C(=O)C1=CC(=O)[N-]O1	REAL250005053989	0	39	-1.0	-51.52	325.83	2.36	-49.16
CN(C)C(=O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053990	0	38	-1.0	-64.10	322.76	0.68	-63.42
CN(CCNC(=O)C1=NN(C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005053991	0	35	-1.0	-54.57	309.27	-0.24	-54.81
COCCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053992	0	41	-1.0	-54.10	339.61	0.04	-54.06
CN(CCNC(=O)CN1N=CN=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053993	0	33	-1.0	-59.94	298.58	-1.17	-61.11
CCCC[C@@H](C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053994	0	43	-1.0	-51.35	348.92	2.53	-48.82
CCC(C)(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053995	0	43	-1.0	-50.30	335.67	2.04	-48.26
CC(C)C(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053996	0	43	-1.0	-51.00	333.44	1.85	-49.15
C=CC(C)(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005053997	0	41	-1.0	-50.09	330.11	1.95	-48.14
CN(CCNC(=O)CN1N=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005053998	0	34	-1.0	-58.77	303.87	-1.55	-60.32
CN(CCNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005053999	0	39	-1.0	-51.69	332.34	2.69	-49.00
CCC(C)(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054000	0	43	-1.0	-51.55	336.85	1.88	-49.67
C=C(C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054001	0	38	-1.0	-51.22	324.18	1.66	-49.56
CN(CCNC(=O)C1=CC=NS1)C(=O)C1=CC(=O)[N-]O1	REAL250005054002	0	31	-1.0	-50.73	290.61	-0.40	-51.13
CN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)C1=CC(=O)[N-]O1	REAL250005054003	0	37	-1.0	-53.62	314.67	-0.35	-53.97
CN(CCNC(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054004	0	35	-1.0	-51.48	296.27	1.01	-50.47
CNC(=O)NCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054005	0	37	-1.0	-53.43	321.78	-4.00	-57.43
CN(CCNC(=O)[C@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054006	0	36	-1.0	-55.53	305.08	0.19	-55.34
CC(CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005054007	0	41	-1.0	-50.95	336.14	2.47	-48.48
CN(CCNC(=O)C(C)(C)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005054008	0	38	-1.0	-63.47	318.28	-1.49	-64.96
CN(CCNC(=O)C1(C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054009	0	39	-1.0	-51.63	320.19	2.62	-49.01
COC1CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005054010	0	39	-1.0	-51.07	328.11	-0.10	-51.17
C=CCCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054011	0	39	-1.0	-54.93	337.14	1.36	-53.57
C=CCOC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054012	0	39	-1.0	-55.23	335.52	1.27	-53.96
CN(CCNC(=O)C1=NSC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054013	0	31	-1.0	-50.88	290.13	-0.56	-51.44
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005054014	0	41	-1.0	-51.32	334.12	2.34	-48.98
CC1CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CO1	REAL250005054015	0	39	-1.0	-53.71	323.41	-0.20	-53.91
CN(CCNC(=O)CCCC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005054016	0	38	-1.0	-63.33	327.44	-2.71	-66.04
CN(CCNC(=O)C1(F)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054017	0	38	-1.0	-48.25	318.36	1.57	-46.68
CN(CCNC(=O)C1=CN=CN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054018	0	35	-1.0	-53.29	303.44	1.08	-52.21
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005054019	0	43	-1.0	-50.15	333.73	1.94	-48.21
CN(CCNC(=O)C1=NNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054020	0	31	-1.0	-49.98	281.17	-3.00	-52.98
CN(CCNC(=O)C1=CN=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005054020	1	31	-1.0	-52.22	280.01	-2.95	-55.17
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005054021	0	35	-1.0	-55.08	303.31	0.11	-54.97
COCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054022	0	39	-1.0	-54.33	335.73	-0.04	-54.37
COCC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054023	0	41	-1.0	-50.61	338.29	0.11	-50.50
CN(CCNC(=O)C1=NN(C)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054024	0	34	-1.0	-51.50	303.97	-1.91	-53.41
CN(CCNC(=O)CCC(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005054025	0	34	-1.0	-53.45	302.41	0.71	-52.74
CN(CCNC(=O)CC1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054026	0	38	-1.0	-51.61	319.79	1.69	-49.92
CN(CCNC(=O)C1(CCF)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054027	0	38	-1.0	-51.16	328.50	1.78	-49.38
CCC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054028	0	43	0.0	-68.27	334.29	1.40	-66.87
CN(CCNC(=O)C1=CSN=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054029	0	30	-1.0	-50.32	285.63	-1.66	-51.98
CN(CCNC(=O)C1(C)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054030	0	41	-1.0	-51.50	329.33	2.06	-49.44
CN(CCNC(=O)C1=CN=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054031	0	31	-1.0	-52.15	282.66	-3.32	-55.47
CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054032	0	36	-1.0	-59.78	310.30	-2.45	-62.23
CCC[N@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054033	0	43	0.0	-72.43	343.07	1.80	-70.63
CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054033	1	43	0.0	-72.46	342.81	1.78	-70.68
CC1=NNC=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054034	0	35	-1.0	-56.09	303.85	-0.99	-57.08
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005054035	0	34	-1.0	-51.66	298.27	-2.34	-54.00
CC1=NNN=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054035	1	34	-1.0	-49.59	299.76	-2.40	-51.99
CCCC(OC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054036	0	41	-1.0	-53.51	342.39	1.34	-52.17
C=C(C)C(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054037	0	41	-1.0	-51.37	333.23	1.82	-49.55
CC(CC(N)=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054038	0	38	-1.0	-51.92	321.27	-2.89	-54.81
CN(CCNC(=O)C1CCNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL250005054039	0	36	-1.0	-52.43	307.18	-2.61	-55.04
C=CC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054040	0	38	-1.0	-51.71	315.45	1.31	-50.40
CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054041	0	41	0.0	-69.05	329.78	1.44	-67.61
CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054041	1	41	0.0	-70.13	324.45	0.94	-69.19
CN(CCNC(=O)[C@H]1CCCN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054041	1	40	-1.0	-53.33	329.64	-0.88	-54.21
C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054042	0	35	-1.0	-51.48	300.15	1.11	-50.37
CN(CCNC(=O)C1(C)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054043	0	38	-1.0	-51.50	311.92	1.45	-50.05
CC1COC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005054044	0	39	-1.0	-55.32	325.65	0.83	-54.49
CN(CCNC(=O)[C@]12C[C@H]1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL250005054045	0	39	-1.0	-51.77	323.35	2.26	-49.51
CC[NH+](CC)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054046	0	43	0.0	-70.44	334.94	1.45	-68.99
CCC(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054047	0	34	-1.0	-52.65	296.03	0.47	-52.18
CN(CCNC(=O)CCCF)C(=O)C1=CC(=O)[N-]O1	REAL250005054048	0	34	-1.0	-54.50	296.34	0.58	-53.92
CC1=COC=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054049	0	35	-1.0	-54.97	305.64	0.62	-54.35
C[C@H]1C[C@@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054050	0	35	-1.0	-51.59	299.90	1.09	-50.50
CN(CCNC(=O)C1(C)C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054051	0	39	-1.0	-51.21	322.27	1.96	-49.25
CN(CCNC(=O)C1=NN(C)N=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054052	0	33	-1.0	-53.20	298.86	-2.34	-55.54
CC(C)C(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054053	0	37	-1.0	-52.86	314.51	0.97	-51.89
C=CC(C)C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054054	0	41	-1.0	-50.44	336.32	2.12	-48.32
CCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005054055	0	41	-1.0	-51.68	333.37	2.05	-49.63
CC#CCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054056	0	39	-1.0	-55.29	338.86	2.70	-52.59
CN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)C1=CC(=O)[N-]O1	REAL250005054057	0	37	-1.0	-50.95	314.41	-0.17	-51.12
CN(CCNC(=O)CCCC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054058	0	41	-1.0	-51.99	342.87	2.79	-49.20
CN(CCNC(=O)C1CCC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054059	0	41	-1.0	-51.61	331.52	1.85	-49.76
CC1=COC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL250005054060	0	35	-1.0	-51.47	309.77	0.68	-50.79
C=CC(CC)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054061	0	41	-1.0	-51.58	339.80	2.25	-49.33
CN(CCNC(=O)C(C)(C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054062	0	41	-1.0	-51.97	329.58	2.12	-49.85
CN(CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054063	0	39	-1.0	-51.52	323.29	2.28	-49.24
CN(CCNC(=O)CC1=CON=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054064	0	34	-1.0	-56.23	303.25	0.03	-56.20
CN(CCNC(=O)CCC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054065	0	43	-1.0	-51.45	344.99	2.13	-49.32
CN(CCNC(=O)C1=CC=NC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054066	0	33	-1.0	-50.14	295.90	0.07	-50.07
CN(CCNC(=O)CC1=CC=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054067	0	35	-1.0	-55.77	309.02	0.79	-54.98
CN(CCNC(=O)C1=NC=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054068	0	33	-1.0	-56.43	296.47	-0.55	-56.98
CCC(C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054069	0	43	-1.0	-51.55	347.05	2.38	-49.17
CN(CCNC(=O)C1=CC=CN=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054070	0	33	-1.0	-52.28	295.92	-0.88	-53.16
CC1OCCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054071	0	39	-1.0	-54.24	318.92	-0.26	-54.50
CN(CCNC(=O)C1(C)CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054072	0	39	-1.0	-51.33	320.48	-0.53	-51.86
CCC(CC)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054073	0	43	-1.0	-51.20	342.20	2.28	-48.92
CCC(C)C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054074	0	43	-1.0	-50.84	339.84	2.18	-48.66
CCCC(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054075	0	43	-1.0	-51.53	347.86	2.25	-49.28
CN(CCNC(=O)C1CCC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054076	0	38	-1.0	-52.38	317.79	1.62	-50.76
C=CCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054077	0	38	-1.0	-52.02	324.06	1.78	-50.24
CCC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054078	0	40	-1.0	-51.55	320.92	1.41	-50.14
CCCC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054079	0	43	-1.0	-51.63	342.41	2.17	-49.46
CN(CCNC(=O)C1(C(N)=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054080	0	36	-1.0	-49.81	316.47	-3.02	-52.83
CN(CCNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005054081	0	29	-1.0	-48.74	263.60	-5.00	-53.74
CC1=NOC=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054082	0	34	-1.0	-54.57	300.83	-0.01	-54.58
CCC1(C)CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054083	0	41	-1.0	-50.75	332.44	2.31	-48.44
COCC(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054084	0	41	-1.0	-53.70	339.42	0.14	-53.56
CN(CCNC(=O)CCC1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054085	0	41	-1.0	-51.58	337.72	2.37	-49.21
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005054086	0	34	-1.0	-49.16	300.87	0.09	-49.07
CN(CCNC(=O)C1(C)CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054087	0	39	-1.0	-51.78	321.96	1.97	-49.81
COC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005054088	0	41	-1.0	-54.81	336.62	0.98	-53.83
CC1CC1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054089	0	38	-1.0	-52.10	320.31	1.87	-50.23
C=CC(C)(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054090	0	41	-1.0	-51.05	329.56	2.47	-48.58
CN(CCNC(=O)C[C@H]1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054091	0	39	-1.0	-54.12	322.20	-0.30	-54.42
CCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054092	0	38	-1.0	-51.74	321.78	1.64	-50.10
CN(CCNC(=O)CC(C)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005054093	0	34	-1.0	-57.85	300.16	0.64	-57.21
CCCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054094	0	41	-1.0	-51.46	343.40	2.42	-49.04
CCC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054095	0	41	-1.0	-51.43	343.05	2.66	-48.77
CC(C)C1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054096	0	41	-1.0	-51.34	334.14	1.97	-49.37
C=C1CC(C)(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005054097	0	39	-1.0	-50.99	326.25	2.00	-48.99
CN(CCNC(=O)C1(CF)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054098	0	35	-1.0	-50.13	300.98	1.13	-49.00
CN(CCNC(=O)C1CC2(CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054099	0	39	-1.0	-51.13	327.35	2.33	-48.80
CN(CCNC(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054100	0	37	-1.0	-51.40	306.69	0.91	-50.49
CCCCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054101	0	43	-1.0	-51.66	354.25	2.78	-48.88
CC[N@H+](C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054102	0	43	0.0	-74.65	343.94	1.61	-73.04
CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054102	1	43	0.0	-74.70	343.94	1.60	-73.10
CC1=CON=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054103	0	34	-1.0	-51.59	301.18	-0.10	-51.69
CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005054104	0	36	-1.0	-57.21	315.00	-2.98	-60.19
CC[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054105	0	43	0.0	-68.35	333.88	1.43	-66.92
CN(CCNC(=O)C1(CF)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054106	0	38	-1.0	-50.68	317.13	1.53	-49.15
CN(CCNC(=O)CN1C=NC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054107	0	34	-1.0	-62.94	303.27	1.52	-61.42
CN(CCNC(=O)CC1=NNC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054108	0	34	-1.0	-59.34	302.88	-0.49	-59.83
CN(CCNC(=O)CC1=NN=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005054108	1	34	-1.0	-66.47	301.49	0.06	-66.41
CC(C)C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054109	0	40	-1.0	-50.81	321.82	1.55	-49.26
CC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054110	0	38	-1.0	-51.56	321.31	1.86	-49.70
CC(C)CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054111	0	43	-1.0	-51.55	350.32	2.51	-49.04
CN(CCNC(=O)C1CC12CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005054112	0	36	-1.0	-51.91	311.23	1.89	-50.02
CN(CCNC(=O)CC1=CNC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054113	0	35	-1.0	-60.62	306.78	0.33	-60.29
CN(CCNC(=O)CC1=CN=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005054113	1	35	-1.0	-58.93	307.64	0.12	-58.81
CN(CCNC(=O)[C@@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054114	0	33	-1.0	-58.67	293.79	-3.64	-62.31
CN(CCNC(=O)C1=CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054115	0	39	-1.0	-51.42	319.66	2.21	-49.21
CC(=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005054116	0	41	-1.0	-50.39	336.30	2.22	-48.17
CN(CCNC(=O)[C@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054117	0	33	-1.0	-59.76	292.72	-3.99	-63.75
CN(CCNC(=O)CN1C=NC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054118	0	34	-1.0	-62.94	303.27	1.52	-61.42
COC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054119	0	36	-1.0	-53.96	307.29	0.19	-53.77
CN(CCNC(=O)C1CSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054120	0	33	-1.0	-51.15	294.86	0.60	-50.55
CN(CCNC(=O)C1(O)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054121	0	39	-1.0	-52.47	320.13	-1.47	-53.94
C=CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054122	0	32	-1.0	-51.99	281.17	0.22	-51.77
CN(CCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054123	0	37	0.0	-72.90	303.84	0.39	-72.51
CN(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054123	1	36	-1.0	-52.08	301.76	-2.00	-54.08
C=CC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054124	0	33	-1.0	-52.02	292.26	-1.92	-53.94
CN(CCNC(=O)CCCN=[N+]=[N-])C(=O)C1=CC(=O)[N-]O1	REAL250005054125	0	36	-1.0	-54.40	319.90	-2.91	-57.31
CN(CCNC(=O)C1OCC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054126	0	39	-1.0	-55.55	325.13	0.51	-55.04
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005054127	0	40	-1.0	-52.79	327.86	-1.70	-54.49
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005054127	1	41	0.0	-71.16	333.29	1.30	-69.86
CN(CCNC(=O)[C@H]1CC1(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005054128	0	32	-1.0	-54.34	290.01	0.62	-53.72
CN(CCNC(=O)CC1=CNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054129	0	35	-1.0	-56.89	308.12	-0.88	-57.77
CC(C)NC(=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054130	0	38	-1.0	-48.46	327.65	-1.84	-50.30
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005054131	0	37	-1.0	-51.17	311.85	0.33	-50.84
CN(CCNC(=O)C=C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054132	0	39	-1.0	-51.65	323.42	2.24	-49.41
CN(CCNC(=O)C[N@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054133	0	41	0.0	-69.86	333.24	1.80	-68.06
CN(CCNC(=O)C[N@@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054133	1	41	0.0	-69.59	332.85	1.77	-67.82
CN(CCNC(=O)CN(C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054133	1	40	-1.0	-52.32	327.13	-0.63	-52.95
CN(CCNC(=O)C1(CO)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054134	0	37	-1.0	-55.92	311.57	-3.95	-59.87
CC(C)=CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054135	0	41	-1.0	-51.36	340.84	2.39	-48.97
CN(CCNC(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054136	0	33	-1.0	-51.86	285.61	-1.84	-53.70
CC1CCC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL250005054137	0	39	-1.0	-56.03	325.39	1.01	-55.02
CN(CCNC(=O)CC1(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054138	0	39	-1.0	-51.15	329.96	-1.67	-52.82
CN(CCNC(=O)CC1C[NH+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054139	0	41	0.0	-73.67	335.29	1.22	-72.45
CN(CCNC(=O)C1CC(C)(O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054140	0	39	-1.0	-54.91	325.91	-1.88	-56.79
CO[C@H](C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054141	0	35	-1.0	-54.96	300.51	-0.28	-55.24
CC1=NNC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL250005054142	0	34	-1.0	-49.04	303.01	-1.05	-50.09
CC1=NN=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL250005054142	1	34	-1.0	-51.86	303.47	-0.76	-52.62
CN(CCNC(=O)C1=COC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054143	0	32	-1.0	-57.43	291.14	-2.98	-60.41
CN(CCNC(=O)C1=COC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL250005054143	1	31	-2.0	-88.18	289.01	-4.64	-92.82
CC=CC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054144	0	36	-1.0	-51.66	313.97	-1.06	-52.72
CCCC[C@H](C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054145	0	43	-1.0	-51.38	348.67	2.51	-48.87
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054146	0	40	0.0	-70.06	321.06	0.79	-69.27
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005054146	1	39	-1.0	-52.19	315.47	-1.62	-53.81
CCC=C(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054147	0	35	-1.0	-48.15	307.10	1.09	-47.06
CCC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054148	0	35	-1.0	-51.61	302.92	1.04	-50.57
CN(CCNC(=O)C1CCC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054150	0	36	-1.0	-59.76	310.30	-2.45	-62.21
CN(CCNC(=O)C(C)(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005054151	0	38	-1.0	-50.94	316.04	-2.29	-53.23
CN(CCNC(=O)C1=NC=CN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054152	0	35	-1.0	-51.68	304.72	0.42	-51.26
CN(CCNC(=O)CC(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054153	0	39	-1.0	-55.13	331.21	-0.44	-55.57
CC(=CC1CC1)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054154	0	39	-1.0	-51.79	327.49	2.48	-49.31
CN(CCNC(=O)C1CCC=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054155	0	37	-1.0	-54.28	313.50	1.30	-52.98
CN(CCNC(=O)CC1CSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054156	0	36	-1.0	-55.04	315.95	1.36	-53.68
CN(CCNC(=O)C1(F)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054157	0	35	-1.0	-49.68	301.10	0.97	-48.71
CN(CCNC(=O)C=CC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005054158	0	33	-1.0	-53.11	298.22	-3.67	-56.78
C#CCSCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054159	0	34	-1.0	-56.22	318.56	1.52	-54.70
CC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054160	0	32	-1.0	-56.31	279.40	-2.48	-58.79
CN(CCNC(=O)C1(O)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054161	0	36	-1.0	-51.63	301.28	-2.14	-53.77
CN(CCNC(=O)C(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054162	0	36	-1.0	-51.32	310.78	-0.93	-52.25
CN(CCNC(=O)CN1C=NN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054163	0	34	-1.0	-63.42	303.75	2.44	-60.98
C=CCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054164	0	38	-1.0	-51.19	320.44	1.58	-49.61
CN(CCNC(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005054165	0	32	-1.0	-55.02	284.98	0.49	-54.53
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054166	0	40	0.0	-70.06	321.06	0.79	-69.27
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005054166	1	39	-1.0	-52.19	315.47	-1.62	-53.81
CN(CCNC(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005054167	0	31	-1.0	-50.59	274.85	-0.19	-50.78
CN(CCNC(=O)CN1C=CN=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054168	0	34	-1.0	-65.84	302.34	-1.21	-67.05
C=CC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005054169	0	39	-1.0	-51.10	321.96	2.47	-48.63
CN(CCNC(=O)C1(O)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054170	0	34	-1.0	-53.44	293.78	-4.87	-58.31
CCC(C)C(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054171	0	41	-1.0	-51.91	331.80	0.19	-51.72
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005054172	0	36	-1.0	-52.42	311.03	1.91	-50.51
CCC1CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054173	0	38	-1.0	-50.96	316.09	1.87	-49.09
CC(O)CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054174	0	41	-1.0	-54.87	343.06	-1.29	-56.16
CN(CCNC(=O)CC1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054175	0	36	-1.0	-55.60	308.53	-2.31	-57.91
CN(CCNC(=O)C=CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005054176	0	32	-1.0	-53.97	288.01	0.40	-53.57
CN(CCNC(=O)C(F)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054177	0	38	-1.0	-52.26	327.61	2.02	-50.24
CCC(CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)OC	REAL250005054178	0	41	-1.0	-54.01	336.69	1.24	-52.77
CN(CCNC(=O)C1=C(Cl)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054179	0	33	-1.0	-54.48	306.06	1.50	-52.98
CN(CCNC(=O)[C@]12C[C@H]1[C@H](F)C2)C(=O)C1=CC(=O)[N-]O1	REAL250005054180	0	36	-1.0	-55.19	313.83	1.72	-53.47
CN(CCNC(=O)C1=CCCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054181	0	37	-1.0	-52.30	310.72	-0.21	-52.51
CN(CCNC(=O)C(O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054182	0	41	-1.0	-51.74	328.96	0.08	-51.66
C#CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054183	0	33	-1.0	-51.48	295.54	0.96	-50.52
CN(CCNC(=O)CN1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054184	0	37	-1.0	-53.59	309.37	-2.43	-56.02
CN(CCNC(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054184	1	38	0.0	-73.08	313.69	0.79	-72.29
CC(C)C(O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054185	0	41	-1.0	-54.85	334.86	-0.45	-55.30
CCCC(C)(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054186	0	41	-1.0	-49.23	337.06	-1.43	-50.66
CCOC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054187	0	41	-1.0	-55.36	334.56	1.15	-54.21
C#C[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054188	0	34	-1.0	-54.65	301.64	1.59	-53.06
CN(CCNC(=O)C1(N=[N+]=[N-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054189	0	34	-1.0	-47.80	302.56	-2.48	-50.28
CN(CCNC(=O)C1=CNC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005054190	0	32	-1.0	-52.92	292.31	-2.76	-55.68
CC(C)[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054191	0	41	-1.0	-51.52	340.38	2.41	-49.11
CN(CCNC(=O)C1C2CCC21)C(=O)C1=CC(=O)[N-]O1	REAL250005054192	0	36	-1.0	-51.55	301.47	1.77	-49.78
C=C1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054193	0	36	-1.0	-50.72	307.55	1.40	-49.32
C[C@H]1C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005054194	0	38	-1.0	-51.21	317.29	1.64	-49.57
C[C@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054195	0	40	0.0	-71.68	321.69	0.79	-70.89
C[C@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005054195	1	39	-1.0	-52.19	316.09	-1.59	-53.78
CC=CC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054196	0	36	-1.0	-51.72	317.00	1.72	-50.00
CN(CCNC(=O)C1=NC=NN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054197	0	34	-1.0	-49.03	299.73	0.41	-48.62
CN(CCNC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054198	0	39	-1.0	-53.52	322.70	-1.81	-55.33
CN(CCNC(=O)[C@@H]1CC=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054199	0	39	-1.0	-50.76	322.28	2.13	-48.63
COCC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054200	0	36	-1.0	-53.95	315.18	-0.68	-54.63
CC1CN(CC(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005054201	0	40	-1.0	-53.86	331.75	-1.40	-55.26
CC1C[NH+](CC(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005054201	1	41	0.0	-72.51	335.11	1.48	-71.03
CN(CCNC(=O)C1(C)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054202	0	36	-1.0	-51.36	303.69	-1.24	-52.60
CN(CCNC(=O)C1=CCCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054203	0	37	-1.0	-50.37	312.39	0.36	-50.01
CN(CCNC(=O)C1=CCCS1)C(=O)C1=CC(=O)[N-]O1	REAL250005054204	0	34	-1.0	-51.34	305.10	1.19	-50.15
CC1=NOC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005054205	0	36	-1.0	-61.10	313.62	0.32	-60.78
CN(CCNC(=O)C(=O)NC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054206	0	36	-1.0	-48.33	317.14	-1.79	-50.12
CN(CCNC(=O)C1CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054207	0	36	-1.0	-50.78	310.80	1.27	-49.51
CN(CCNC(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054208	0	33	-1.0	-55.29	286.59	-0.84	-56.13
CN(CCNC(=O)CCN=[N+]=[N-])C(=O)C1=CC(=O)[N-]O1	REAL250005054209	0	33	-1.0	-50.58	298.39	-3.71	-54.29
C#CCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054210	0	34	-1.0	-57.95	308.61	0.53	-57.42
CN(CCNC(=O)CC1=NN=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054211	0	33	-1.0	-60.21	298.39	-5.17	-65.38
CN(CCNC(=O)C1CCCS1)C(=O)C1=CC(=O)[N-]O1	REAL250005054212	0	36	-1.0	-51.25	312.68	1.30	-49.95
CN(CCNC(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005054213	0	35	-1.0	-49.29	298.74	-2.90	-52.19
CC1=CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054214	0	33	-1.0	-52.09	293.56	1.12	-50.97
CN(C)C(=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054215	0	35	-1.0	-48.28	300.52	-1.49	-49.77
CSC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054216	0	33	-1.0	-50.90	303.88	0.58	-50.32
CCC(C)(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054217	0	38	-1.0	-49.28	315.56	-2.20	-51.48
CC[N@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054218	0	40	0.0	-72.15	321.57	1.05	-71.10
CC[N@@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054218	1	40	0.0	-72.21	321.32	1.04	-71.17
CCN(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054218	1	39	-1.0	-52.11	319.73	-1.21	-53.32
CCC=CC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054219	0	39	-1.0	-51.60	338.09	2.48	-49.12
CN(CCNC(=O)C1=CC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL250005054220	0	32	-2.0	-89.13	294.09	-3.64	-92.77
CC1=CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005054221	0	36	-1.0	-57.66	312.80	0.41	-57.25
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005054222	0	39	-1.0	-51.34	323.43	2.24	-49.10
C=C1CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005054223	0	36	-1.0	-51.06	308.50	1.46	-49.60
CN(CCNC(=O)C(C)(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054224	0	39	-1.0	-50.01	323.78	-1.62	-51.63
CC1=NC=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL250005054225	0	34	-1.0	-51.34	304.39	-2.61	-53.95
CN(CCNC(=O)C1CCC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005054226	0	35	-1.0	-55.73	298.76	1.02	-54.71
CN(CCNC(=O)C1=CN=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005054227	0	32	-1.0	-55.45	285.58	-0.49	-55.94
CC1=NOC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL250005054228	0	33	-1.0	-51.04	298.94	-2.59	-53.63
CN(CCNC(=O)C1CC2CC2C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054229	0	39	-1.0	-51.04	320.48	2.18	-48.86
CN(CCNC(=O)C1=CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054230	0	34	-1.0	-51.16	303.88	1.23	-49.93
CCCC(O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054231	0	41	-1.0	-55.19	341.92	-0.40	-55.59
CN(CCNC(=O)C1(Cl)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054232	0	32	-1.0	-48.66	294.83	0.98	-47.68
CN(CCNC(=O)C1=CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054233	0	34	-1.0	-50.19	296.10	-0.47	-50.66
CN(CCNC(=O)C=CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054234	0	41	0.0	-77.67	339.81	1.61	-76.06
CCC[C@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054235	0	38	-1.0	-51.99	321.04	-0.85	-52.84
CCC(C)(OC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054236	0	41	-1.0	-49.03	330.57	0.14	-48.89
CC(C)[C@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054237	0	38	-1.0	-51.83	315.34	-0.94	-52.77
CC(C)C(CO)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054238	0	41	-1.0	-51.12	330.17	-1.32	-52.44
CCOC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054239	0	36	-1.0	-50.86	314.90	-0.09	-50.95
CCN1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054240	0	40	-1.0	-51.48	321.96	-1.82	-53.30
CC[N@@H+]1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054240	1	41	0.0	-70.60	328.76	1.11	-69.49
CC[N@H+]1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054240	1	41	0.0	-71.68	336.08	1.41	-70.27
CN(CCNC(=O)C1CCCC1O)C(=O)C1=CC(=O)[N-]O1	REAL250005054241	0	39	-1.0	-54.37	322.15	-1.63	-56.00
C[C@@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054242	0	32	-1.0	-56.30	279.14	-2.50	-58.80
CCC(C)=C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054243	0	41	-1.0	-50.81	331.63	2.32	-48.49
COC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005054244	0	39	-1.0	-49.32	322.77	0.12	-49.20
CN(CCNC(=O)CCC(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005054245	0	41	-1.0	-53.01	338.13	-1.56	-54.57
CN(CCNC(=O)C1=CSN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054246	0	31	-1.0	-52.89	289.29	-0.40	-53.29
CC1CC(C)(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005054247	0	41	-1.0	-51.61	327.37	1.92	-49.69
CNC(=O)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054248	0	38	-1.0	-52.95	327.87	-2.01	-54.96
CN(CCNC(=O)CCCCF)C(=O)C1=CC(=O)[N-]O1	REAL250005054249	0	37	-1.0	-51.94	317.84	1.36	-50.58
CN(CCNC(=O)C=CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005054250	0	33	-1.0	-55.38	292.93	-3.08	-58.46
CN(CCNC(=O)CC1=CN=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054251	0	34	-1.0	-57.93	303.69	-2.49	-60.42
COC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054252	0	38	-1.0	-55.25	312.71	0.23	-55.02
CN(CCNC(=O)C(C)(C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054253	0	43	0.0	-77.43	331.41	1.58	-75.85
CN(CCNC(=O)C(F)(F)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005054254	0	32	-1.0	-50.20	289.63	-2.09	-52.29
CN(CCNC(=O)CCCCO)C(=O)C1=CC(=O)[N-]O1	REAL250005054255	0	38	-1.0	-52.75	322.67	-2.11	-54.86
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005054256	0	34	-1.0	-50.89	300.33	0.20	-50.69
CN(CCNC(=O)C1CNC(=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054257	0	36	-1.0	-57.39	309.39	-2.76	-60.15
CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054258	0	35	-1.0	-60.84	305.07	-4.90	-65.74
CN(CCNC(=O)C1=CN=CS1)C(=O)C1=CC(=O)[N-]O1	REAL250005054259	0	31	-1.0	-52.42	290.55	-0.90	-53.32
CC1=CC=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL250005054260	0	36	-1.0	-53.57	312.67	0.34	-53.23
CN(CCNC(=O)C1(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054261	0	36	-1.0	-55.73	311.76	-2.41	-58.14
COC1(CC(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054262	0	39	-1.0	-54.73	327.61	-0.07	-54.80
CC[C@H](C)[C@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054263	0	41	-1.0	-51.93	331.79	0.19	-51.74
CN(CCNC(=O)[C@]12C[C@H]1[C@H](O)C2)C(=O)C1=CC(=O)[N-]O1	REAL250005054264	0	37	-1.0	-55.75	319.19	-1.76	-57.51
COC(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054265	0	32	-1.0	-54.83	286.88	-1.49	-56.32
CN(CCNC(=O)C12CC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005054266	0	36	-1.0	-51.90	306.97	1.63	-50.27
CCCC(C)=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054267	0	41	-1.0	-50.37	340.97	2.51	-47.86
C=C[C@H](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054268	0	38	-1.0	-51.16	319.27	1.56	-49.60
CN(CCNC(=O)C=CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054269	0	36	-1.0	-51.54	313.81	1.86	-49.68
CC=C(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054270	0	38	-1.0	-51.42	317.60	1.66	-49.76
CN(CCNC(=O)CC12CC(C1)C2)C(=O)C1=CC(=O)[N-]O1	REAL250005054271	0	39	-1.0	-52.62	321.60	2.37	-50.25
CCC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005054272	0	41	-1.0	-52.97	330.78	-1.46	-54.43
C=CC(C)(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054273	0	36	-1.0	-50.18	308.92	-2.16	-52.34
CCC(C)(CO)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054274	0	41	-1.0	-51.00	331.98	-1.79	-52.79
CN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054275	0	41	0.0	-77.75	327.87	1.42	-76.33
CN(C)C1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054275	1	40	-1.0	-50.07	328.40	-1.38	-51.45
CN(CCNC(=O)C12CC(C1)CO2)C(=O)C1=CC(=O)[N-]O1	REAL250005054276	0	37	-1.0	-50.70	311.60	-0.36	-51.06
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)(C)O	REAL250005054277	0	41	-1.0	-54.16	327.81	-0.54	-54.70
CN(CCNC(=O)C12CC(C1)OC2)C(=O)C1=CC(=O)[N-]O1	REAL250005054278	0	37	-1.0	-51.52	313.21	-0.56	-52.08
CC(O)C1CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054279	0	39	-1.0	-53.84	324.73	0.03	-53.81
C[C@@H]1C[C@@]2(C(=O)NCCN(C)C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005054280	0	39	-1.0	-51.67	328.79	2.28	-49.39
CN(CCNC(=O)CN1C=NC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054281	0	34	-1.0	-62.94	303.27	1.52	-61.42
CN(CCNC(=O)C#CC1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054282	0	37	-1.0	-51.73	328.27	2.38	-49.35
CN(CCNC(=O)C1=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054283	0	33	-1.0	-52.40	289.26	1.02	-51.38
CN(CCNC(=O)C1=CC=C(F)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005054284	0	32	-1.0	-48.37	294.04	0.09	-48.28
CON=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054285	0	32	-1.0	-53.94	290.72	-1.75	-55.69
C#CCC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054286	0	39	-1.0	-50.94	330.15	1.98	-48.96
CN(CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(N)=O	REAL250005054287	0	37	-1.0	-58.39	318.31	-2.83	-61.22
CN(CCNC(=O)C1=NC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL250005054288	0	31	-2.0	-88.41	288.69	-4.92	-93.33
CN(CCNC(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054289	0	32	-1.0	-49.04	285.55	0.49	-48.55
CN(CCNC(=O)COCCO)C(=O)C1=CC(=O)[N-]O1	REAL250005054290	0	36	-1.0	-58.17	314.20	-3.13	-61.30
CN(CCNC(=O)C(C)(C)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005054291	0	37	-1.0	-49.78	311.69	0.99	-48.79
CC(C)[C@@H](O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054292	0	41	-1.0	-54.86	334.86	-0.47	-55.33
CSC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054293	0	36	-1.0	-49.00	322.74	1.51	-47.49
CN(CCNC(=O)C1=NOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054294	0	33	-1.0	-48.98	292.30	-1.48	-50.46
CN(CCNC(=O)C1(CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054295	0	39	-1.0	-51.65	333.33	-1.72	-53.37
CC(C)C(C)(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054296	0	41	-1.0	-49.59	330.06	-1.48	-51.07
CC(C[NH+](C)C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054297	0	43	0.0	-68.63	341.75	1.74	-66.89
CN(CCNC(=O)C1=NN=CS1)C(=O)C1=CC(=O)[N-]O1	REAL250005054298	0	30	-1.0	-50.83	286.57	-2.00	-52.83
CN(CCNC(=O)C(F)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054299	0	38	-1.0	-51.08	318.88	1.72	-49.36
CN(CCNC(=O)C1CC(C)(C)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005054300	0	39	-1.0	-54.91	322.60	0.35	-54.56
CC1CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005054301	0	36	-1.0	-48.49	313.38	-0.72	-49.21
CN(CCNC(=O)C1CC(C)(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054302	0	38	-1.0	-50.52	322.43	1.63	-48.89
COCC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054303	0	36	-1.0	-53.07	312.40	-3.15	-56.22
C#CC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054304	0	36	-1.0	-53.99	312.51	1.35	-52.64
CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054305	0	35	-1.0	-60.84	305.10	-4.90	-65.74
CC1CCN1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054306	0	40	-1.0	-53.65	332.08	-1.44	-55.09
CC1CC[N@@H+]1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054306	1	41	0.0	-70.49	329.37	1.19	-69.30
CC1CC[N@H+]1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054306	1	41	0.0	-71.09	335.17	1.47	-69.62
CN(CCNC(=O)COC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054307	0	36	-1.0	-56.05	313.20	0.78	-55.27
CN(CCNC(=O)C1=NC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005054308	0	32	-1.0	-51.67	286.71	-1.29	-52.96
CN(CCNC(=O)C=CC1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054309	0	39	-1.0	-51.41	330.24	2.39	-49.02
CCCC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054310	0	38	-1.0	-51.39	324.42	1.82	-49.57
CC=C(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054311	0	32	-1.0	-48.42	286.80	0.35	-48.07
CCC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005054312	0	43	-1.0	-51.77	344.01	2.25	-49.52
CN(CCNC(=O)C(F)=C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054313	0	36	-1.0	-48.82	313.05	1.75	-47.07
CCC(CO)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054314	0	38	-1.0	-51.05	315.48	-2.24	-53.29
CC(CO)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054315	0	35	-1.0	-50.97	298.39	-2.94	-53.91
CN(CCNC(=O)C1=CON=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054316	0	31	-1.0	-51.68	281.98	-0.63	-52.31
CN(CCNC(=O)[C@@H]1C[C@H]1CF)C(=O)C1=CC(=O)[N-]O1	REAL250005054317	0	35	-1.0	-54.13	306.56	1.23	-52.90
C#CC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054318	0	34	-1.0	-50.48	305.05	1.51	-48.97
CN(CCNC(=O)C1=COCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054319	0	34	-1.0	-51.99	294.95	-0.48	-52.47
C[C@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054320	0	32	-1.0	-52.69	279.05	-2.46	-55.15
CN(CCNC(=O)C1=CC(F)=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005054321	0	32	-1.0	-50.95	292.33	-1.75	-52.70
CN(CCNC(=O)C1C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054322	0	36	-1.0	-51.15	303.82	1.46	-49.69
CC(O)C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054323	0	38	-1.0	-54.81	312.57	-1.23	-56.04
CN(CCNC(=O)C1(O)CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054324	0	37	-1.0	-53.03	310.46	-4.09	-57.12
C=C1CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054325	0	33	-1.0	-51.59	292.34	1.01	-50.58
CN(CCNC(=O)CC1CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054326	0	39	-1.0	-52.37	324.29	2.19	-50.18
CC(CF)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054327	0	34	-1.0	-49.95	293.60	0.47	-49.48
CN(CCNC(=O)C1=CC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054328	0	39	-1.0	-51.62	331.06	2.18	-49.44
CN(CCNC(=O)[C@@H]1CC1(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005054329	0	32	-1.0	-53.43	291.53	0.58	-52.85
CC(=O)NCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054330	0	38	-1.0	-61.94	328.76	-2.01	-63.95
CN(CCNC(=O)C1=CNC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054331	0	33	-1.0	-60.37	295.02	-3.42	-63.79
CC1CCCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054332	0	41	-1.0	-51.59	331.78	2.17	-49.42
C=C(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054333	0	35	-1.0	-51.53	302.78	0.87	-50.66
CCSCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054334	0	35	-1.0	-54.01	312.78	0.99	-53.02
CC(C)=C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054335	0	38	-1.0	-51.06	311.81	1.67	-49.39
CCCC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054336	0	38	-1.0	-51.99	321.04	-0.85	-52.84
CCCCC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054337	0	41	-1.0	-51.97	342.54	-0.07	-52.04
CN(CCNC(=O)CSC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054338	0	36	-1.0	-53.61	323.37	1.82	-51.79
CCC(O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054339	0	38	-1.0	-55.36	320.42	-1.18	-56.54
CC(Cl)=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054340	0	32	-1.0	-53.14	294.11	0.80	-52.34
CC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054341	0	32	-1.0	-51.81	281.83	0.28	-51.53
CCC(F)(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054342	0	34	-1.0	-47.00	300.01	0.58	-46.42
CN(CCNC(=O)C1(C)CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005054343	0	35	-1.0	-50.72	302.74	1.14	-49.58
CN(CCNC(=O)[C@H]1C[C@@H](O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054344	0	36	-1.0	-55.06	307.02	-2.48	-57.54
CN(CCNC(=O)CC1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054345	0	41	-1.0	-52.02	339.21	2.36	-49.66
CC(NC(N)=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054346	0	37	-1.0	-53.77	319.41	-4.58	-58.35
C=C(C)CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054347	0	41	-1.0	-52.14	345.67	2.45	-49.69
CN(CCNC(=O)C1(C)CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054348	0	38	-1.0	-51.40	319.38	1.55	-49.85
C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054349	0	35	-1.0	-51.48	300.15	1.11	-50.37
CN(CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)C1=CC(=O)[N-]O1	REAL250005054350	0	39	-1.0	-51.79	321.79	2.21	-49.58
CN(CCNC(=O)COC1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054351	0	37	-1.0	-56.25	320.63	-1.42	-57.67
C[C@@H]1C[C@]2(C(=O)NCCN(C)C(=O)C3=CC(=O)[N-]O3)C[C@H]12	REAL250005054352	0	39	-1.0	-51.48	326.89	2.23	-49.25
CNC(=O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054353	0	35	-1.0	-64.08	304.34	-1.28	-65.36
C=CC=CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054354	0	36	-1.0	-52.51	316.42	1.64	-50.87
C#CC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005054355	0	37	-1.0	-50.33	320.04	1.94	-48.39
CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054356	0	41	0.0	-70.30	323.77	0.92	-69.38
CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054356	1	41	0.0	-68.48	329.29	1.33	-67.15
CN(CCNC(=O)[C@@H]1CCCN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054356	1	40	-1.0	-53.58	328.99	-0.84	-54.42
CN(CCNC(=O)C1CC=CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054357	0	37	-1.0	-54.76	314.07	0.89	-53.87
CN(CCNC(=O)CCOC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054358	0	39	-1.0	-51.03	334.15	0.49	-50.54
CN(CCNC(=O)CCCCCO)C(=O)C1=CC(=O)[N-]O1	REAL250005054359	0	41	-1.0	-55.01	344.17	-1.34	-56.35
CN(CCNC(=O)C1=CSC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054360	0	31	-1.0	-51.99	290.63	-1.04	-53.03
CN(CCNC(=O)C1(CO)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054361	0	39	-1.0	-52.18	319.75	-1.24	-53.42
CN(CCNC(=O)CCC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005054362	0	35	-1.0	-52.87	305.94	-3.50	-56.37
C=CCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054363	0	39	-1.0	-52.18	335.00	2.22	-49.96
CN(CCNC(=O)COC(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005054364	0	32	-1.0	-53.86	292.58	-0.61	-54.47
COC(C)(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054365	0	41	-1.0	-53.91	330.63	0.86	-53.05
CC(O)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054366	0	38	-1.0	-52.43	321.60	-2.07	-54.50
C#CCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054367	0	36	-1.0	-50.99	313.41	1.53	-49.46
CC(CCO)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054368	0	38	-1.0	-55.42	317.35	-2.36	-57.78
CN(CCNC(=O)C(F)=CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054369	0	36	-1.0	-48.13	318.35	1.90	-46.23
CN(CCNC(=O)CC1CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054370	0	38	-1.0	-52.27	322.81	1.82	-50.45
CN(CCNC(=O)[C@H](O)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005054371	0	32	-1.0	-52.17	285.10	-2.32	-54.49
CN(CCNC(=O)C1=NN=CN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054372	0	34	-1.0	-52.65	300.12	1.07	-51.58
CN(CCNC(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054373	0	33	-1.0	-50.96	287.67	-2.63	-53.59
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005054374	0	35	-1.0	-49.72	301.66	1.30	-48.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)F	REAL250005054375	0	34	-1.0	-48.38	291.01	0.19	-48.19
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(F)F	REAL250005054376	0	31	-1.0	-46.16	280.25	-0.18	-46.34
COCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054377	0	32	-1.0	-52.96	283.44	-0.86	-53.82
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC=N1	REAL250005054378	0	34	-1.0	-50.06	300.69	0.98	-49.08
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NC=C1	REAL250005054379	0	34	-1.0	-51.47	297.57	-0.09	-51.56
CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054380	0	34	-1.0	-49.40	292.22	0.52	-48.88
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN=C1	REAL250005054381	0	34	-1.0	-50.12	299.12	-0.18	-50.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CO1	REAL250005054382	0	32	-1.0	-50.01	287.87	0.15	-49.86
CC(=O)NCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054383	0	35	-1.0	-50.41	309.40	-2.62	-53.03
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC=C1	REAL250005054384	0	35	-1.0	-50.47	304.51	1.71	-48.76
CC(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054385	0	37	-1.0	-49.04	308.95	1.12	-47.92
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCCC1	REAL250005054386	0	41	-1.0	-49.38	329.02	2.08	-47.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CC=N1	REAL250005054387	0	33	-1.0	-50.78	295.85	-0.94	-51.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC1	REAL250005054388	0	41	-1.0	-49.49	333.92	2.37	-47.12
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CS1	REAL250005054389	0	32	-1.0	-50.50	293.79	0.59	-49.91
CC1CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054390	0	35	-1.0	-49.44	302.08	1.17	-48.27
CCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054391	0	35	-1.0	-53.05	305.30	0.10	-52.95
CC(C)=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054392	0	35	-1.0	-48.80	299.37	1.04	-47.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCCO1	REAL250005054393	0	35	-1.0	-49.23	302.80	-0.99	-50.22
CC(=O)NC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054394	0	38	-1.0	-50.70	325.07	-1.97	-52.67
CC1=CC=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005054395	0	35	-1.0	-49.64	310.33	0.96	-48.68
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCO1	REAL250005054396	0	36	-1.0	-53.70	303.94	0.18	-53.52
CSCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054397	0	32	-1.0	-52.18	293.79	0.20	-51.98
CC1=CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005054398	0	34	-1.0	-49.37	304.03	0.43	-48.94
CSCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054399	0	35	-1.0	-48.46	315.46	0.99	-47.47
CC(C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054400	0	40	-1.0	-49.50	331.29	1.81	-47.69
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CSC=C1	REAL250005054401	0	32	-1.0	-50.20	294.14	0.63	-49.57
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005054402	0	35	-1.0	-50.30	305.11	0.57	-49.73
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1C=CCC1	REAL250005054403	0	39	-1.0	-50.03	326.36	2.30	-47.73
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=NN=N1	REAL250005054404	0	33	-1.0	-64.04	299.80	-0.74	-64.78
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C)N=C1	REAL250005054405	0	35	-1.0	-52.17	305.91	-0.59	-52.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC=CCC1	REAL250005054406	0	39	-1.0	-48.77	320.99	2.01	-46.76
CC1=NOC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005054407	0	34	-1.0	-48.14	304.09	-0.02	-48.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN1	REAL250005054408	0	33	-1.0	-52.85	288.94	0.12	-52.73
CC(=O)CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054409	0	39	-1.0	-58.76	336.92	1.22	-57.54
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=C1	REAL250005054410	0	32	-1.0	-53.81	284.99	-0.23	-54.04
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CC=N1	REAL250005054411	0	35	-1.0	-57.08	311.23	0.14	-56.94
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005054412	0	35	-1.0	-49.91	306.25	0.81	-49.10
CCCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054413	0	40	-1.0	-49.49	335.22	2.08	-47.41
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)C	REAL250005054414	0	40	-1.0	-48.03	324.19	1.66	-46.37
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN1C	REAL250005054415	0	36	-1.0	-50.70	306.82	1.16	-49.54
CCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054416	0	37	-1.0	-49.55	313.72	1.30	-48.25
CC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054417	0	34	-1.0	-49.44	286.67	0.19	-49.25
CCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054418	0	37	-1.0	-49.32	303.75	0.78	-48.54
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSCC#N	REAL250005054419	0	33	-1.0	-59.11	314.60	0.84	-58.27
CC(=O)N(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054420	0	38	-1.0	-55.38	328.31	-0.24	-55.62
CCC(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054421	0	40	-1.0	-49.40	327.85	1.57	-47.83
CC(C)OCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054422	0	41	-1.0	-48.83	346.52	0.54	-48.29
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COCCO1	REAL250005054423	0	37	-1.0	-52.41	311.71	-1.06	-53.47
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC=C1	REAL250005054424	0	32	-1.0	-52.06	287.02	-1.22	-53.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1	REAL250005054424	1	32	-1.0	-50.44	283.90	-1.36	-51.80
CSC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054425	0	35	-1.0	-51.90	310.25	0.70	-51.20
CCOC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054426	0	38	-1.0	-53.15	322.18	0.62	-52.53
CCOCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054427	0	41	-1.0	-52.30	347.75	0.56	-51.74
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COCC1CC1	REAL250005054428	0	39	-1.0	-53.18	337.24	1.70	-51.48
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCO1	REAL250005054429	0	39	-1.0	-52.99	327.10	0.77	-52.22
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNN=C1	REAL250005054430	0	32	-1.0	-51.37	283.52	-1.89	-53.26
COCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054431	0	38	-1.0	-52.29	325.89	-0.41	-52.70
CCOC1CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054432	0	39	-1.0	-48.60	336.27	0.40	-48.20
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSN=C1	REAL250005054433	0	30	-1.0	-47.40	285.05	-1.64	-49.04
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=NS1	REAL250005054434	0	30	-1.0	-50.88	284.16	-1.75	-52.63
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOC=C1	REAL250005054435	0	31	-1.0	-50.17	282.90	-0.42	-50.59
CC(=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005054436	0	39	-1.0	-48.44	327.43	2.48	-45.96
CC1=NNC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005054437	0	35	-1.0	-50.41	305.29	-0.82	-51.23
CC1=CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005054437	1	35	-1.0	-51.36	308.92	-0.65	-52.01
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CS1	REAL250005054438	0	31	-1.0	-51.92	288.64	-1.27	-53.19
CCC=C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054439	0	38	-1.0	-50.25	313.21	1.36	-48.89
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005054440	0	34	-1.0	-49.45	300.97	-1.62	-51.07
CCOC(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054441	0	41	-1.0	-52.79	337.91	1.23	-51.56
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(F)(F)F	REAL250005054442	0	31	-1.0	-52.80	288.14	0.18	-52.62
COC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054443	0	35	-1.0	-53.10	298.12	-0.38	-53.48
CC(C)OCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054444	0	38	-1.0	-52.97	325.57	0.84	-52.13
CCCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054445	0	38	-1.0	-52.86	326.80	0.90	-51.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCOC1	REAL250005054446	0	36	-1.0	-50.59	301.57	-1.06	-51.65
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1C	REAL250005054447	0	35	-1.0	-50.73	301.35	-0.52	-51.25
CCC(OC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054448	0	38	-1.0	-51.88	319.54	0.41	-51.47
COCCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054449	0	41	-1.0	-50.01	347.39	0.37	-49.64
CCCC(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054450	0	43	-1.0	-48.96	348.68	2.54	-46.42
COC(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054451	0	38	-1.0	-50.42	323.53	0.35	-50.07
C=CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054452	0	35	-1.0	-49.44	305.03	1.08	-48.36
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCCC1	REAL250005054453	0	37	-1.0	-50.77	306.15	-0.09	-50.86
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCOC1	REAL250005054454	0	39	-1.0	-48.92	318.27	-0.37	-49.29
CCOCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054455	0	38	-1.0	-48.88	326.25	-0.21	-49.09
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CSC=N1	REAL250005054456	0	31	-1.0	-50.07	291.22	-0.35	-50.42
COCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054457	0	38	-1.0	-48.82	318.46	-0.75	-49.57
C=CCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054458	0	36	-1.0	-53.43	318.20	0.68	-52.75
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=N1	REAL250005054459	0	31	-1.0	-50.01	283.07	-2.45	-52.46
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC(=O)N1	REAL250005054460	0	36	-1.0	-57.12	310.43	-2.51	-59.63
CC1=NC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005054461	0	35	-1.0	-51.46	308.93	-0.03	-51.49
CC1=NC=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005054461	1	35	-1.0	-53.44	305.67	-0.28	-53.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C	REAL250005054462	0	41	0.0	-70.17	325.93	0.98	-69.19
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C	REAL250005054462	1	41	0.0	-67.13	329.34	1.33	-65.80
CCC(=O)NCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054463	0	38	-1.0	-50.02	329.69	-1.80	-51.82
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(C)(C)C	REAL250005054464	0	41	-1.0	-49.28	341.40	2.15	-47.13
CC(C#N)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054465	0	32	-1.0	-56.84	286.11	-0.19	-57.03
CCCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054466	0	40	-1.0	-49.46	325.25	1.53	-47.93
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)C(C)(C)C	REAL250005054467	0	39	-1.0	-45.37	325.62	0.88	-44.49
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CC1	REAL250005054468	0	38	-1.0	-49.46	323.84	2.09	-47.37
CCCCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054469	0	41	-1.0	-52.80	348.30	1.68	-51.12
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NOC=C1	REAL250005054470	0	34	-1.0	-56.26	305.22	0.11	-56.15
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCOC1	REAL250005054471	0	39	-1.0	-51.21	325.21	-0.18	-51.39
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC=CC1	REAL250005054472	0	36	-1.0	-49.44	306.58	1.49	-47.95
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NNC=C1	REAL250005054473	0	35	-1.0	-55.74	310.09	-0.80	-56.54
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC=NN1	REAL250005054473	1	35	-1.0	-54.53	310.63	-0.93	-55.46
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCC1	REAL250005054474	0	38	-1.0	-49.69	318.63	1.81	-47.88
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005054475	0	34	-1.0	-50.38	300.84	-2.52	-52.90
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005054476	0	38	-1.0	-49.72	316.94	1.67	-48.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C2CCCC21	REAL250005054477	0	39	-1.0	-49.12	317.08	2.40	-46.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC1	REAL250005054478	0	41	-1.0	-49.30	340.72	2.62	-46.68
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C=CN1	REAL250005054479	0	36	-1.0	-51.79	306.57	0.20	-51.59
CC=C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054480	0	35	-1.0	-49.96	299.98	0.72	-49.24
CC1CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054481	0	38	-1.0	-49.49	317.32	1.63	-47.86
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CCC1	REAL250005054482	0	36	-1.0	-49.66	309.33	1.75	-47.91
CCC(=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005054483	0	41	-1.0	-48.08	339.60	2.53	-45.55
CC(C)=C(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054484	0	35	-1.0	-50.18	310.25	0.91	-49.27
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCC1	REAL250005054485	0	36	-1.0	-50.06	302.10	1.29	-48.77
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C)C=C1	REAL250005054486	0	36	-1.0	-52.56	310.76	1.35	-51.21
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C)C=N1	REAL250005054487	0	35	-1.0	-52.17	309.06	1.89	-50.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCCO1	REAL250005054488	0	39	-1.0	-53.07	320.81	0.95	-52.12
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1(C)C	REAL250005054489	0	38	-1.0	-48.67	317.31	1.72	-46.95
CCC(C)OCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054490	0	41	-1.0	-52.89	346.34	1.65	-51.24
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC1(C)C	REAL250005054491	0	38	-1.0	-48.71	318.04	1.73	-46.98
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCCO1	REAL250005054492	0	36	-1.0	-53.81	304.00	0.21	-53.60
C#CCCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054493	0	39	-1.0	-50.24	341.00	2.60	-47.64
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC(C)(C)C	REAL250005054494	0	41	-1.0	-52.82	339.60	1.24	-51.58
CCNC(=O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054495	0	38	-1.0	-61.28	328.30	-0.37	-61.65
COC(C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054496	0	41	-1.0	-49.62	345.43	0.36	-49.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN=C1	REAL250005054497	0	33	-1.0	-50.69	292.31	-0.36	-51.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCOCC1	REAL250005054498	0	37	-1.0	-50.79	318.22	-0.30	-51.09
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=COC=C1	REAL250005054499	0	35	-1.0	-52.16	311.74	0.72	-51.44
CC1=NC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005054500	0	34	-1.0	-49.31	305.08	-1.74	-51.05
C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054501	0	37	-1.0	-50.64	318.84	-4.78	-55.42
CC1=CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005054502	0	35	-1.0	-50.56	306.57	0.53	-50.03
CCC(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054503	0	40	-1.0	-49.10	327.18	1.78	-47.32
C#CCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054504	0	36	-1.0	-52.30	319.50	1.82	-50.48
C=CC(C)(O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054505	0	39	-1.0	-51.64	327.59	-0.45	-52.09
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)O	REAL250005054506	0	38	-1.0	-51.76	317.77	-1.01	-52.77
COC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005054507	0	39	-1.0	-52.06	329.12	1.09	-50.97
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)NC=C1	REAL250005054508	0	36	-1.0	-52.41	307.02	0.79	-51.62
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=NN1C	REAL250005054509	0	34	-1.0	-50.74	296.58	-1.95	-52.69
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC(=O)N1	REAL250005054510	0	34	-1.0	-59.47	301.55	-3.73	-63.20
CCCCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054511	0	43	-1.0	-49.33	346.75	2.32	-47.01
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)C1	REAL250005054512	0	41	-1.0	-49.25	336.44	2.05	-47.20
CC(C)[C@@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054513	0	38	-1.0	-48.80	313.38	-1.26	-50.06
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C)N=N1	REAL250005054514	0	34	-1.0	-50.70	305.16	-1.38	-52.08
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)C=N1	REAL250005054515	0	34	-1.0	-56.72	303.77	1.05	-55.67
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1(F)F	REAL250005054516	0	32	-1.0	-51.01	294.43	0.66	-50.35
CCC(C)=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054517	0	38	-1.0	-48.29	321.27	1.81	-46.48
CC(C)C#CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054518	0	36	-1.0	-50.34	320.96	1.78	-48.56
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC1	REAL250005054519	0	39	-1.0	-49.71	325.43	-0.10	-49.81
CC1=CNN=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054520	0	35	-1.0	-51.59	305.01	-0.50	-52.09
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005054521	0	39	-1.0	-49.66	334.06	2.31	-47.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC1CC1	REAL250005054522	0	34	-1.0	-50.46	310.63	1.96	-48.50
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC(C)(C)C	REAL250005054523	0	39	-1.0	-49.99	341.36	2.34	-47.65
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250005054524	0	34	-1.0	-52.20	309.67	0.86	-51.34
COCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054525	0	35	-1.0	-48.97	304.40	-1.17	-50.14
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005054526	0	32	-1.0	-49.45	281.43	0.50	-48.95
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1	REAL250005054527	0	35	-1.0	-49.28	297.27	1.02	-48.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC1	REAL250005054528	0	38	-1.0	-49.81	312.73	1.53	-48.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCOCC1	REAL250005054529	0	39	-1.0	-50.96	319.97	-0.31	-51.27
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)N=C1	REAL250005054530	0	34	-1.0	-50.20	304.77	-1.52	-51.72
CCC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054531	0	43	0.0	-69.53	336.28	1.51	-68.02
CC1COC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054532	0	39	-1.0	-53.80	323.85	0.76	-53.04
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@]12C[C@H]1CCC2	REAL250005054533	0	39	-1.0	-49.79	323.65	2.10	-47.69
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC(=O)N1	REAL250005054534	0	36	-1.0	-57.52	311.33	-2.47	-59.99
CCC[N@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054535	0	43	0.0	-70.12	345.81	1.87	-68.25
CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054535	1	43	0.0	-70.16	345.54	1.84	-68.32
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(C)(C)C	REAL250005054536	0	43	-1.0	-49.39	347.45	2.22	-47.17
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NC=N1	REAL250005054537	0	33	-1.0	-48.70	295.43	0.78	-47.92
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC=CO1	REAL250005054538	0	35	-1.0	-53.08	311.76	0.89	-52.19
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=CC=N1	REAL250005054539	0	33	-1.0	-55.04	296.00	0.12	-54.92
CCC(C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054540	0	43	-1.0	-49.37	349.52	2.47	-46.90
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN=N1	REAL250005054541	0	33	-1.0	-50.20	296.16	-0.54	-50.74
CC1OCCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054542	0	39	-1.0	-50.99	325.32	-0.19	-51.18
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCOC1	REAL250005054543	0	39	-1.0	-49.06	315.32	-0.82	-49.88
CCC(CC)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054544	0	43	-1.0	-49.00	341.58	2.32	-46.68
CCC(C)C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054545	0	43	-1.0	-48.95	337.39	1.96	-46.99
CCCC(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054546	0	43	-1.0	-49.28	349.84	2.37	-46.91
CCC1(C)CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054547	0	41	-1.0	-48.62	335.11	2.37	-46.25
COCC(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054548	0	41	-1.0	-51.49	341.89	0.23	-51.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC(F)C1	REAL250005054549	0	38	-1.0	-50.52	316.77	1.54	-48.98
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1(C)CC1	REAL250005054550	0	41	-1.0	-49.49	340.18	2.45	-47.04
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005054551	0	34	-1.0	-47.64	301.42	0.09	-47.55
CC[N@H+](C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054552	0	43	0.0	-72.50	346.41	1.69	-70.81
CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054552	1	43	0.0	-72.58	346.41	1.70	-70.88
CC1=CON=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054553	0	34	-1.0	-49.84	301.69	0.27	-49.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1N=CN=N1	REAL250005054554	0	33	-1.0	-58.00	301.05	-1.14	-59.14
CCCC[C@@H](C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054555	0	43	-1.0	-49.51	348.37	2.39	-47.12
CCC(C)(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054556	0	43	-1.0	-48.16	338.14	2.13	-46.03
CC(C)C(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054557	0	43	-1.0	-49.50	327.85	1.44	-48.06
C=CC(C)(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054558	0	41	-1.0	-47.95	332.58	2.04	-45.91
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1N=CC=N1	REAL250005054559	0	34	-1.0	-56.59	306.61	-1.49	-58.08
C=CCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054560	0	38	-1.0	-49.86	326.53	1.86	-48.00
CCC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054561	0	40	-1.0	-50.04	315.21	1.01	-49.03
CCCC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054562	0	43	-1.0	-50.10	336.70	1.75	-48.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C(N)=O)CC1	REAL250005054563	0	36	-1.0	-48.21	316.99	-3.13	-51.34
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005054564	0	29	-1.0	-46.99	263.57	-4.87	-51.86
CC1=NOC=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054565	0	34	-1.0	-52.83	298.91	-0.14	-52.97
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC=CC1	REAL250005054566	0	39	-1.0	-50.02	315.97	1.59	-48.43
COC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005054567	0	41	-1.0	-52.88	335.68	0.92	-51.96
CC1CC1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054568	0	38	-1.0	-49.74	323.31	1.99	-47.75
C=CC(C)(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054569	0	41	-1.0	-48.92	322.14	2.12	-46.80
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[C@H]1CCOC1	REAL250005054570	0	39	-1.0	-51.80	325.20	-0.17	-51.97
CCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054571	0	38	-1.0	-49.94	320.66	1.55	-48.39
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C	REAL250005054572	0	37	-1.0	-49.54	300.03	0.46	-49.08
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NN=CN1	REAL250005054573	0	34	-1.0	-62.26	304.23	0.16	-62.10
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NC=NN1	REAL250005054573	1	34	-1.0	-57.18	304.79	-0.19	-57.37
C=C(C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054574	0	38	-1.0	-49.03	326.68	1.75	-47.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NS1	REAL250005054575	0	31	-1.0	-49.84	288.81	-0.73	-50.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(F)F	REAL250005054576	0	34	-1.0	-55.73	302.62	0.71	-55.02
CCCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054577	0	41	-1.0	-49.45	339.99	2.23	-47.22
CCC[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054578	0	41	-1.0	-49.30	345.70	2.72	-46.58
CC(C)C1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054579	0	41	-1.0	-49.80	333.64	1.92	-47.88
C=C1CC(C)(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054580	0	39	-1.0	-49.22	324.92	1.70	-47.52
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CF)CC1	REAL250005054581	0	35	-1.0	-48.73	303.31	0.90	-47.83
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2(CC2)C1	REAL250005054582	0	39	-1.0	-49.10	328.25	2.34	-46.76
CCCCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054583	0	43	-1.0	-49.51	356.72	2.86	-46.65
CC(C)C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054584	0	40	-1.0	-49.01	322.51	1.40	-47.61
CC1CCC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054585	0	41	-1.0	-49.39	331.00	2.09	-47.30
C#CCOCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054586	0	37	-1.0	-50.19	332.04	0.34	-49.85
C#CCOC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054587	0	37	-1.0	-55.75	327.97	1.17	-54.58
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C(N)=O	REAL250005054588	0	38	-1.0	-62.10	312.56	-1.96	-64.06
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C2CC2)CC1	REAL250005054589	0	39	-1.0	-50.04	313.93	2.14	-47.90
COC1CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054590	0	39	-1.0	-48.98	329.27	-0.06	-49.04
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@H]1C(N)=O	REAL250005054591	0	36	-1.0	-57.80	316.37	-2.82	-60.62
CC[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054592	0	43	0.0	-66.35	334.61	1.39	-64.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CF)CCC1	REAL250005054593	0	38	-1.0	-48.53	313.61	1.24	-47.29
CC[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054594	0	38	-1.0	-49.50	323.49	1.93	-47.57
CC(C)CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054595	0	43	-1.0	-49.39	352.78	2.59	-46.80
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=NC=N1	REAL250005054596	0	34	-1.0	-60.33	305.97	1.58	-58.75
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCNC(N)=O	REAL250005054597	0	37	-1.0	-60.44	324.45	-4.72	-65.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSC=C1	REAL250005054598	0	31	-1.0	-49.18	289.78	-0.10	-49.28
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005054599	0	41	-1.0	-49.38	331.67	2.12	-47.26
CC1CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CO1	REAL250005054600	0	39	-1.0	-50.60	322.45	-0.29	-50.89
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC12CC2	REAL250005054601	0	36	-1.0	-49.82	313.15	1.97	-47.85
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CN=CN1	REAL250005054602	0	35	-1.0	-56.69	310.11	0.22	-56.47
C=CCC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054603	0	41	-1.0	-49.88	330.17	1.60	-48.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC12CCC2	REAL250005054604	0	39	-1.0	-49.26	328.03	2.43	-46.83
CC1=CNC=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054605	0	36	-1.0	-55.68	307.47	0.24	-55.44
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)C=C1	REAL250005054606	0	35	-1.0	-52.83	309.80	0.11	-52.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CCCC1	REAL250005054607	0	38	-1.0	-47.24	314.65	1.45	-45.79
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN1C	REAL250005054608	0	35	-1.0	-51.72	301.50	0.79	-50.93
CN(C)C(=O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054609	0	38	-1.0	-61.98	324.58	0.72	-61.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C1CC1	REAL250005054610	0	39	-1.0	-49.28	335.00	2.75	-46.53
COCCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054611	0	41	-1.0	-52.01	337.42	-0.17	-52.18
CCC(C)(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054612	0	43	-1.0	-50.32	331.15	1.47	-48.85
COCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054613	0	39	-1.0	-53.24	333.44	-0.10	-53.34
COCC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054614	0	41	-1.0	-49.18	332.26	-0.34	-49.52
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCO1	REAL250005054615	0	36	-1.0	-54.02	303.77	0.20	-53.82
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(F)F	REAL250005054616	0	34	-1.0	-52.07	304.88	0.78	-51.29
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(F)=CN1	REAL250005054617	0	33	-1.0	-53.70	295.60	0.18	-53.52
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(C)CC1	REAL250005054618	0	38	-1.0	-49.24	321.94	1.79	-47.45
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CCF)CC1	REAL250005054619	0	38	-1.0	-49.09	324.97	1.58	-47.51
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@]12C[C@H]1COC2	REAL250005054620	0	37	-1.0	-52.08	316.20	-0.37	-52.45
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1	REAL250005054621	0	35	-1.0	-49.78	298.33	0.80	-48.98
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=C1	REAL250005054622	0	33	-1.0	-56.10	288.73	-0.44	-56.54
CC(CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005054623	0	41	-1.0	-48.82	338.61	2.58	-46.24
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CSN=N1	REAL250005054624	0	30	-1.0	-48.40	286.02	-1.29	-49.69
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCCC1	REAL250005054625	0	41	-1.0	-49.98	322.77	1.70	-48.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CO1	REAL250005054626	0	31	-1.0	-50.87	283.23	-3.16	-54.03
CNC(=O)NCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054627	0	37	-1.0	-51.41	324.25	-3.95	-55.36
C=CCCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054628	0	39	-1.0	-52.78	339.61	1.47	-51.31
C=CCOC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054629	0	39	-1.0	-53.54	335.09	1.20	-52.34
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCC(N)=O	REAL250005054630	0	38	-1.0	-61.09	329.90	-2.63	-63.72
CC1=NNC=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054631	0	35	-1.0	-53.16	303.88	-1.27	-54.43
CC1=NNN=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054632	0	34	-1.0	-48.26	300.22	-2.04	-50.30
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005054632	1	34	-1.0	-50.48	296.82	-2.13	-52.61
CCCC(OC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054633	0	41	-1.0	-51.15	341.30	1.20	-49.95
C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054634	0	41	-1.0	-48.94	326.64	2.02	-46.92
CC(CC(N)=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054635	0	38	-1.0	-50.04	319.09	-3.10	-53.14
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCNC1=O	REAL250005054636	0	36	-1.0	-50.25	306.79	-2.72	-52.97
C=CC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054637	0	38	-1.0	-50.23	308.91	0.87	-49.36
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@@H+]1C	REAL250005054638	0	41	0.0	-67.19	330.07	1.25	-65.94
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@H+]1C	REAL250005054638	1	41	0.0	-68.30	325.81	0.99	-67.31
C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054639	0	35	-1.0	-49.43	302.10	1.17	-48.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCC1	REAL250005054640	0	38	-1.0	-49.83	309.02	1.15	-48.68
CCC(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054641	0	34	-1.0	-46.41	296.04	0.45	-45.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCF	REAL250005054642	0	34	-1.0	-52.25	298.81	0.66	-51.59
CC1=COC=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054643	0	35	-1.0	-53.27	303.76	0.46	-52.81
C[C@H]1C[C@@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054644	0	35	-1.0	-49.58	301.82	1.16	-48.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)C=CCC1	REAL250005054645	0	39	-1.0	-49.57	316.26	1.61	-47.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)N=N1	REAL250005054646	0	33	-1.0	-51.75	299.03	-1.99	-53.74
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005054647	0	35	-1.0	-51.01	311.40	-0.08	-51.09
CC(C)C(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054648	0	37	-1.0	-52.14	313.81	0.95	-51.19
C=CC(C)C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054649	0	41	-1.0	-48.72	335.89	1.97	-46.75
CCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005054650	0	41	-1.0	-49.92	328.23	1.75	-48.17
CC#CCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054651	0	39	-1.0	-53.07	341.33	2.78	-50.29
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1[C@@H]2COC[C@@H]21	REAL250005054652	0	37	-1.0	-48.43	316.93	-0.13	-48.56
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCC1CC1	REAL250005054653	0	41	-1.0	-49.72	345.34	2.87	-46.85
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1(C)C	REAL250005054654	0	41	-1.0	-49.33	330.37	1.82	-47.51
CC1=COC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005054655	0	35	-1.0	-50.09	310.35	0.83	-49.26
C=CC(CC)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054656	0	41	-1.0	-49.32	340.68	2.32	-47.00
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C1CC1	REAL250005054657	0	41	-1.0	-50.01	324.26	1.75	-48.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@H]2C[C@H]2C1	REAL250005054658	0	39	-1.0	-49.35	323.95	2.31	-47.04
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CON=C1	REAL250005054659	0	34	-1.0	-53.90	305.72	0.13	-53.77
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005054660	0	43	-1.0	-48.27	331.28	1.72	-46.55
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNN=C1	REAL250005054661	0	31	-1.0	-48.66	281.74	-2.64	-51.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(N)=O	REAL250005054662	0	33	-1.0	-51.04	300.14	-3.61	-54.65
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC(N)=NN1	REAL250005054663	0	33	-1.0	-48.18	297.93	-0.80	-48.98
COC(=O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054664	0	34	-1.0	-57.64	302.67	0.71	-56.93
C#CCSCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054665	0	34	-1.0	-54.23	321.03	1.62	-52.61
CSC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054666	0	33	-1.0	-48.76	305.75	0.68	-48.08
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CO)CCC1	REAL250005054667	0	39	-1.0	-53.92	320.36	-2.16	-56.08
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(N)=O	REAL250005054668	0	35	-1.0	-50.62	308.40	-3.41	-54.03
C=CCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054669	0	39	-1.0	-50.13	333.77	2.14	-47.99
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC(F)F	REAL250005054670	0	32	-1.0	-51.76	295.04	-0.50	-52.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCS1	REAL250005054671	0	34	-1.0	-49.00	303.40	0.85	-48.15
CC1=NOC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054672	0	36	-1.0	-57.97	312.91	0.28	-57.69
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)NC1CC1	REAL250005054673	0	36	-1.0	-46.63	317.11	-1.65	-48.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(N)=NN1	REAL250005054674	0	34	-1.0	-50.76	299.44	-2.65	-53.41
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCSC1	REAL250005054675	0	36	-1.0	-49.60	312.91	1.18	-48.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCO1	REAL250005054676	0	33	-1.0	-54.52	286.20	-0.72	-55.24
CCCC(O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054677	0	41	-1.0	-52.94	344.39	-0.34	-53.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CC#N	REAL250005054678	0	38	-1.0	-49.42	317.75	0.71	-48.71
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(Cl)CC1	REAL250005054679	0	32	-1.0	-47.92	295.71	0.87	-47.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCO1	REAL250005054680	0	34	-1.0	-48.21	296.26	-0.09	-48.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CO)COC1	REAL250005054681	0	37	-1.0	-55.73	310.32	-4.86	-60.59
CC(C)=CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054682	0	41	-1.0	-49.21	344.43	2.53	-46.68
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC1	REAL250005054683	0	33	-1.0	-49.75	286.77	-1.80	-51.55
CC1CCC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005054684	0	39	-1.0	-53.42	324.90	0.96	-52.46
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC=C1N	REAL250005054685	0	34	-1.0	-50.76	299.40	-3.19	-53.95
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005054686	0	33	-1.0	-52.94	294.85	-3.00	-55.94
CC1=NC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005054687	0	34	-1.0	-55.84	303.78	-0.73	-56.57
CC1=NNC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005054687	1	34	-1.0	-47.77	302.98	-0.40	-48.17
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC(=O)N1	REAL250005054688	0	32	-1.0	-51.20	290.25	-2.23	-53.43
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC(=O)[N-]1	REAL250005054688	1	31	-2.0	-86.31	288.99	-3.18	-89.49
CC=CC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054689	0	36	-1.0	-49.82	309.23	-0.99	-50.81
CCCC[C@H](C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054690	0	43	-1.0	-49.05	349.51	2.42	-46.63
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054691	0	40	0.0	-67.99	323.12	0.85	-67.14
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005054691	1	39	-1.0	-49.53	312.96	-1.79	-51.32
CCC=C(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054692	0	35	-1.0	-46.55	306.86	1.07	-45.48
CCC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054693	0	35	-1.0	-49.42	304.83	1.12	-48.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CNC(=O)C1	REAL250005054694	0	36	-1.0	-54.60	311.26	-2.73	-57.33
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NON=C1N	REAL250005054695	0	32	-1.0	-45.82	290.57	-1.92	-47.74
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CNC(=O)N1	REAL250005054696	0	35	-1.0	-59.37	305.31	-4.98	-64.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CS1	REAL250005054697	0	31	-1.0	-51.92	288.64	-1.27	-53.19
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCN=[N+]=[N-]	REAL250005054698	0	33	-1.0	-48.48	300.85	-3.63	-52.11
C#CCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054699	0	34	-1.0	-55.80	311.08	0.64	-55.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NN=CO1	REAL250005054700	0	33	-1.0	-58.00	300.85	-5.09	-63.09
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCS1	REAL250005054701	0	36	-1.0	-50.61	314.57	1.37	-49.24
COC(C)(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054702	0	41	-1.0	-51.47	333.08	0.89	-50.58
CC(O)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054703	0	38	-1.0	-49.25	324.03	-1.99	-51.24
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CC=C1	REAL250005054704	0	36	-1.0	-53.63	317.17	2.06	-51.57
C#CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054705	0	33	-1.0	-49.34	298.00	1.04	-48.30
CC(=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005054706	0	41	-1.0	-48.20	338.09	2.30	-45.90
COC1(CC(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054707	0	39	-1.0	-52.73	331.88	0.04	-52.69
CC[C@H](C)[C@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054708	0	41	-1.0	-49.14	330.73	-0.59	-49.73
CC=CC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054709	0	36	-1.0	-49.57	318.90	1.80	-47.77
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=NN1C	REAL250005054710	0	34	-1.0	-47.61	300.19	0.99	-46.62
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC[C@@H](O)C1	REAL250005054711	0	39	-1.0	-51.49	321.34	-1.87	-53.36
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC=CCC1	REAL250005054712	0	39	-1.0	-46.51	315.50	1.77	-44.74
COCC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054713	0	36	-1.0	-51.52	317.10	-0.60	-52.12
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CC2C1	REAL250005054714	0	39	-1.0	-49.27	321.83	2.22	-47.05
CC1CN(CC(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054715	0	40	-1.0	-51.55	334.48	-1.34	-52.89
CC1C[NH+](CC(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054715	1	41	0.0	-70.30	337.85	1.54	-68.76
CCC(C)(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054716	0	38	-1.0	-45.48	307.89	-1.81	-47.29
C#CCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054717	0	36	-1.0	-49.18	311.23	1.31	-47.87
C=CC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054718	0	33	-1.0	-50.04	287.53	-1.86	-51.90
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCN=[N+]=[N-]	REAL250005054719	0	36	-1.0	-52.22	322.36	-2.83	-55.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1OCC1(C)C	REAL250005054720	0	39	-1.0	-53.60	322.84	0.24	-53.36
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C12CC1CC2	REAL250005054721	0	36	-1.0	-49.76	306.73	1.60	-48.16
CCCC(C)=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054722	0	41	-1.0	-48.07	342.77	2.59	-45.48
C=C[C@H](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054723	0	38	-1.0	-49.00	321.73	1.65	-47.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1CC1	REAL250005054724	0	36	-1.0	-49.55	315.46	1.92	-47.63
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005054725	0	34	-1.0	-49.21	298.07	-0.05	-49.26
CC(C)CC(=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054726	0	39	-1.0	-45.43	330.30	1.12	-44.31
CC1CC1(C#N)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054727	0	36	-1.0	-46.67	312.66	1.07	-45.60
CCC(C#N)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054728	0	35	-1.0	-50.55	309.65	0.55	-50.00
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CNC(=O)O1	REAL250005054729	0	34	-1.0	-63.20	301.64	-3.28	-66.48
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C2CCC21	REAL250005054730	0	36	-1.0	-49.56	304.13	1.82	-47.74
C=C1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054731	0	36	-1.0	-48.83	306.66	1.37	-47.46
C[C@H]1C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005054732	0	38	-1.0	-49.40	319.04	1.70	-47.70
CC[N@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054733	0	40	0.0	-69.85	324.31	1.13	-68.72
CC[N@@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054733	1	40	0.0	-69.82	324.31	1.12	-68.70
CCN(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054733	1	39	-1.0	-49.96	322.20	-1.17	-51.13
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2(C1)N=N2	REAL250005054734	0	35	-1.0	-49.34	309.07	-4.06	-53.40
CC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054735	0	32	-1.0	-54.44	278.71	-2.59	-57.03
CC(=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054736	0	30	-1.0	-46.25	270.77	-1.06	-47.31
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNN=C1N	REAL250005054737	0	34	-1.0	-53.42	298.37	-2.88	-56.30
CC(NC(N)=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054738	0	37	-1.0	-51.57	318.29	-4.76	-56.33
CCOC(=O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054739	0	37	-1.0	-57.39	324.53	1.62	-55.77
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N[N-]1	REAL250005054740	0	32	-2.0	-88.49	294.41	-3.27	-91.76
CC1=CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005054741	0	36	-1.0	-56.23	310.74	0.13	-56.10
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005054742	0	39	-1.0	-49.47	319.17	1.97	-47.50
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCC#N	REAL250005054743	0	35	-1.0	-58.09	313.08	1.04	-57.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C#N)CC1	REAL250005054744	0	33	-1.0	-47.24	296.74	0.36	-46.88
C=C1CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054745	0	36	-1.0	-48.99	309.65	1.49	-47.50
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@]12C[C@H]1[C@H](O)C2	REAL250005054746	0	37	-1.0	-54.64	319.93	-1.79	-56.43
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)CO2	REAL250005054747	0	37	-1.0	-48.87	311.89	0.06	-48.81
CCC=CC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054748	0	39	-1.0	-49.43	340.00	2.56	-46.87
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN(C)C(N)=O	REAL250005054749	0	37	-1.0	-56.26	320.78	-2.80	-59.06
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC(=O)[N-]1	REAL250005054750	0	31	-2.0	-92.81	289.14	-4.78	-97.59
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC1	REAL250005054751	0	32	-1.0	-48.31	286.96	0.50	-47.81
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(O)C1CC1	REAL250005054752	0	39	-1.0	-47.67	321.45	-1.32	-48.99
CC1=NC=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005054753	0	34	-1.0	-50.23	305.22	-2.40	-52.63
COC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054754	0	38	-1.0	-53.89	307.08	-0.20	-54.09
CC(CC#N)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054755	0	35	-1.0	-49.84	304.80	0.50	-49.34
CCC1CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054756	0	38	-1.0	-49.42	324.22	1.94	-47.48
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)O	REAL250005054757	0	41	-1.0	-52.01	326.82	-1.31	-53.32
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC(=O)O1	REAL250005054758	0	33	-1.0	-61.21	296.66	0.10	-61.11
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)OC2	REAL250005054759	0	37	-1.0	-50.04	309.76	-0.69	-50.73
CC(O)C1CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054760	0	39	-1.0	-49.67	326.70	0.08	-49.59
C[C@@H]1C[C@@]2(C(=O)N(C)CCNC(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005054761	0	39	-1.0	-49.87	329.72	2.26	-47.61
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=NC=N1	REAL250005054762	0	34	-1.0	-60.33	305.97	1.58	-58.75
CC(C[NH+](C)C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054763	0	43	0.0	-72.14	340.07	1.46	-70.68
C=CC(C)(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054764	0	36	-1.0	-47.57	304.99	-1.95	-49.52
CCC(C)(CO)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054765	0	41	-1.0	-49.24	325.88	-2.30	-51.54
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CC1	REAL250005054766	0	41	0.0	-71.43	330.59	1.17	-70.26
CN(C)C1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054766	1	40	-1.0	-48.90	325.34	-1.33	-50.23
CCCC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054767	0	38	-1.0	-49.25	326.33	1.90	-47.35
CC=C(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054768	0	32	-1.0	-46.77	286.55	0.34	-46.43
CCC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005054769	0	43	-1.0	-49.67	345.26	1.95	-47.72
C[C@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054770	0	40	0.0	-68.82	322.76	0.81	-68.01
C[C@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005054770	1	39	-1.0	-50.29	320.03	-1.60	-51.89
CC(C)C(CO)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054771	0	41	-1.0	-49.58	332.22	-1.48	-51.06
CCOC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054772	0	36	-1.0	-48.71	316.77	-0.02	-48.73
CC[N@@H+]1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054773	0	41	0.0	-70.03	337.49	1.38	-68.65
CC[N@H+]1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054773	1	41	0.0	-69.82	336.71	1.32	-68.50
CCN1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054773	1	40	-1.0	-52.19	333.91	-1.48	-53.67
CCC(C)=C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054774	0	41	-1.0	-49.31	344.22	2.35	-46.96
COC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005054775	0	39	-1.0	-47.26	324.50	0.10	-47.16
C=CCCC(=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054776	0	37	-1.0	-45.62	326.38	1.09	-44.53
CC(O)CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054777	0	41	-1.0	-52.51	345.56	-1.21	-53.72
CC(=O)OCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054778	0	34	-1.0	-52.22	306.80	0.73	-51.49
CC(=O)NCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054779	0	38	-1.0	-59.97	331.53	-1.94	-61.91
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC(=O)N1	REAL250005054780	0	33	-1.0	-52.03	294.17	-2.80	-54.83
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+](C)C	REAL250005054781	0	43	0.0	-72.97	326.90	0.92	-72.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)(F)CO	REAL250005054782	0	32	-1.0	-49.71	289.77	-2.17	-51.88
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC1(C)CC1	REAL250005054783	0	37	-1.0	-50.37	331.84	2.48	-47.89
CC(=O)C=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054784	0	34	-1.0	-49.45	307.00	0.23	-49.22
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC1	REAL250005054785	0	36	-1.0	-54.01	315.67	0.89	-53.12
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=CN1	REAL250005054786	0	32	-1.0	-49.71	287.21	-0.71	-50.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1CCC1	REAL250005054787	0	39	-1.0	-49.42	331.89	2.45	-46.97
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN=CS1	REAL250005054788	0	30	-1.0	-48.93	286.84	-1.59	-50.52
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(=O)CO1	REAL250005054789	0	35	-1.0	-53.82	306.13	-0.78	-54.60
CC(C)NC(=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054790	0	38	-1.0	-46.71	327.62	-1.71	-48.42
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005054791	0	37	-1.0	-49.68	307.86	0.07	-49.61
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=CN1C	REAL250005054792	0	35	-1.0	-49.53	305.00	1.09	-48.44
CC(CO)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054793	0	35	-1.0	-49.15	296.21	-3.15	-52.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CON=C1	REAL250005054794	0	31	-1.0	-48.73	273.92	-0.97	-49.70
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCO	REAL250005054795	0	38	-1.0	-50.56	325.14	-2.04	-52.60
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)C1CC1	REAL250005054796	0	34	-1.0	-46.25	302.39	0.53	-45.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1COC(=O)N1	REAL250005054797	0	34	-1.0	-59.22	301.24	-3.74	-62.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC1	REAL250005054798	0	36	-1.0	-53.79	312.42	-2.21	-56.00
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1F	REAL250005054799	0	35	-1.0	-53.51	300.52	1.07	-52.44
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)C1CCC1	REAL250005054800	0	38	-1.0	-46.06	320.32	1.69	-44.37
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)O1	REAL250005054801	0	39	-1.0	-54.39	330.09	0.62	-53.77
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1CF	REAL250005054802	0	35	-1.0	-52.12	309.19	1.30	-50.82
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)=C1CCC1	REAL250005054803	0	36	-1.0	-46.92	313.48	1.76	-45.16
CCC(CO)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054804	0	38	-1.0	-49.73	313.44	-2.43	-52.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(O)C1CC1	REAL250005054805	0	39	-1.0	-52.77	333.68	-0.38	-53.15
CC(=CC1CC1)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054806	0	39	-1.0	-49.26	334.68	2.38	-46.88
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@@H]1C#N	REAL250005054807	0	33	-1.0	-60.82	298.41	0.80	-60.02
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CN=CO1	REAL250005054808	0	34	-1.0	-55.52	306.43	-2.39	-57.91
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCC1	REAL250005054809	0	34	-1.0	-50.46	290.91	-0.74	-51.20
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(C)(C)O	REAL250005054810	0	41	-1.0	-48.97	340.61	-1.46	-50.43
CC1=CC=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005054811	0	36	-1.0	-52.32	311.05	0.67	-51.65
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CC1	REAL250005054812	0	33	-1.0	-47.53	292.11	-2.76	-50.29
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005054813	0	33	-1.0	-50.81	287.15	0.88	-49.93
CC1CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005054814	0	36	-1.0	-46.96	313.98	-0.37	-47.33
CC(CF)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054815	0	34	-1.0	-48.10	291.42	0.26	-47.84
CC(Cl)=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054816	0	32	-1.0	-50.96	296.02	0.87	-50.09
CC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054817	0	32	-1.0	-49.59	283.74	0.36	-49.23
CCC(F)(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054818	0	34	-1.0	-46.03	300.16	0.53	-45.50
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1F	REAL250005054819	0	35	-1.0	-48.15	305.66	0.87	-47.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC(=O)O1	REAL250005054820	0	35	-1.0	-62.00	305.75	0.88	-61.12
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005054821	0	32	-1.0	-51.45	289.93	0.48	-50.97
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)CC1CC1	REAL250005054822	0	38	-1.0	-46.27	327.62	1.99	-44.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1COC(=O)N1	REAL250005054823	0	34	-1.0	-59.31	302.40	-3.72	-63.03
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCC#N	REAL250005054824	0	38	-1.0	-53.14	334.57	1.82	-51.32
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CO)CC1	REAL250005054825	0	36	-1.0	-54.32	311.20	-2.50	-56.82
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NO1	REAL250005054826	0	31	-1.0	-47.99	282.98	-0.59	-48.58
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC(=O)N1	REAL250005054828	0	36	-1.0	-58.13	312.11	-2.43	-60.56
C[C@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054829	0	32	-1.0	-54.23	277.02	-2.61	-56.84
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(F)O1	REAL250005054830	0	32	-1.0	-46.73	294.84	0.26	-46.47
CON=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054831	0	32	-1.0	-52.09	292.64	-1.69	-53.78
C#CCC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054832	0	39	-1.0	-49.52	324.17	1.58	-47.94
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(F)C1	REAL250005054833	0	38	-1.0	-52.44	322.58	1.61	-50.83
CCC(C)(OC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054834	0	41	-1.0	-53.98	325.62	0.45	-53.53
CC(C)[C@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054835	0	38	-1.0	-49.87	312.97	-1.10	-50.97
C#CC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054836	0	34	-1.0	-48.81	302.02	1.24	-47.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC(=O)O1	REAL250005054837	0	35	-1.0	-57.93	306.15	0.88	-57.05
C=CC=CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054838	0	36	-1.0	-50.29	318.88	1.72	-48.57
C#CC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005054839	0	37	-1.0	-48.51	317.88	1.70	-46.81
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL250005054840	0	41	0.0	-67.83	325.42	0.97	-66.86
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]1C	REAL250005054840	1	41	0.0	-66.87	331.22	1.28	-65.59
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC=CCO1	REAL250005054841	0	37	-1.0	-52.86	311.95	0.80	-52.06
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(C)(C)C1	REAL250005054842	0	39	-1.0	-49.96	329.22	2.05	-47.91
C#C[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054843	0	34	-1.0	-52.43	304.29	1.67	-50.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(N=[N+]=[N-])CC1	REAL250005054844	0	34	-1.0	-49.14	304.13	-2.96	-52.10
CCC(CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)OC	REAL250005054845	0	41	-1.0	-49.94	339.42	0.99	-48.95
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CSC=N1	REAL250005054846	0	31	-1.0	-50.07	291.22	-0.35	-50.42
CC=C(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054847	0	38	-1.0	-49.60	325.60	1.61	-47.99
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC12CC(C1)C2	REAL250005054848	0	39	-1.0	-50.28	324.50	2.45	-47.83
CCC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005054849	0	41	-1.0	-50.73	330.22	-1.51	-52.24
COC(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054850	0	32	-1.0	-53.00	288.84	-1.45	-54.45
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C#N)CCC1	REAL250005054851	0	36	-1.0	-47.27	312.08	0.76	-46.51
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CCCC1	REAL250005054852	0	39	-1.0	-49.47	325.32	2.34	-47.13
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)C#N	REAL250005054853	0	38	-1.0	-48.50	323.20	1.26	-47.24
COCC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054854	0	36	-1.0	-49.74	311.36	-3.29	-53.03
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC1(F)F	REAL250005054855	0	32	-1.0	-53.12	292.19	0.71	-52.41
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C#N	REAL250005054856	0	33	-1.0	-51.44	301.70	0.91	-50.53
C=C(C)CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054857	0	41	-1.0	-49.93	348.14	2.53	-47.40
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@@H](O)C1	REAL250005054858	0	36	-1.0	-53.94	308.45	-2.41	-56.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1(C)C	REAL250005054859	0	41	-1.0	-49.90	341.68	2.44	-47.46
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=C(Cl)CC1	REAL250005054860	0	33	-1.0	-52.93	304.48	1.41	-51.52
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@]12C[C@H]1[C@H](F)C2	REAL250005054861	0	36	-1.0	-53.47	315.16	1.71	-51.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC(=O)O1	REAL250005054862	0	32	-1.0	-50.90	293.08	-2.70	-53.60
CC(C)[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054863	0	41	-1.0	-49.34	343.28	2.48	-46.86
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COCCO	REAL250005054864	0	36	-1.0	-56.13	316.67	-3.03	-59.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CF	REAL250005054865	0	37	-1.0	-48.32	305.54	0.59	-47.73
CC(C)[C@@H](O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054866	0	41	-1.0	-52.50	337.33	-0.38	-52.88
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CO	REAL250005054867	0	38	-1.0	-49.44	310.01	-2.74	-52.18
C=CCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054868	0	38	-1.0	-49.05	318.25	1.37	-47.68
CC1CCCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054869	0	41	-1.0	-49.42	329.01	2.27	-47.15
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250005054870	0	39	-1.0	-49.33	318.52	2.11	-47.22
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC(F)C1	REAL250005054871	0	38	-1.0	-51.63	315.39	1.23	-50.40
C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054872	0	35	-1.0	-49.43	302.10	1.17	-48.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)O	REAL250005054873	0	35	-1.0	-47.26	295.88	-2.63	-49.89
CSC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054874	0	36	-1.0	-47.65	324.14	1.43	-46.22
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOCC1	REAL250005054875	0	33	-1.0	-47.26	292.90	-1.13	-48.39
CC(C#N)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054876	0	35	-1.0	-49.65	308.27	0.80	-48.85
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CC1	REAL250005054877	0	41	0.0	-67.67	335.72	1.84	-65.83
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CC1	REAL250005054877	1	41	0.0	-67.26	335.57	1.84	-65.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN(C)C1CC1	REAL250005054877	1	40	-1.0	-50.20	329.60	-0.56	-50.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCOC1CC1	REAL250005054878	0	39	-1.0	-48.94	336.62	0.57	-48.37
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCCO	REAL250005054879	0	41	-1.0	-52.85	346.64	-1.26	-54.11
CC(CCO)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054880	0	38	-1.0	-53.33	315.18	-2.57	-55.90
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)=CC1CC1	REAL250005054881	0	36	-1.0	-46.52	318.10	1.89	-44.63
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC(F)C1	REAL250005054882	0	38	-1.0	-50.03	325.27	1.90	-48.13
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](O)CF	REAL250005054883	0	32	-1.0	-49.69	284.17	-2.41	-52.10
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CCO)CC1	REAL250005054884	0	39	-1.0	-49.55	329.80	-1.89	-51.44
CC(C)C(C)(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054885	0	41	-1.0	-44.99	322.03	-0.98	-45.97
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CCC1	REAL250005054886	0	36	-1.0	-49.88	301.94	-1.91	-51.79
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(O)C1CC1	REAL250005054887	0	36	-1.0	-48.96	307.48	-1.10	-50.06
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=NN=C1	REAL250005054888	0	34	-1.0	-60.91	306.49	2.50	-58.41
C=C(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054889	0	35	-1.0	-49.35	305.24	0.95	-48.40
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C#N	REAL250005054890	0	35	-1.0	-56.71	299.48	0.01	-56.70
CCSCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054891	0	35	-1.0	-52.03	315.25	1.10	-50.93
CC(=O)OCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054892	0	37	-1.0	-55.38	327.75	0.73	-54.65
CC(C)=C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054893	0	38	-1.0	-49.94	322.48	1.35	-48.59
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1(C)N=N1	REAL250005054894	0	37	-1.0	-47.32	324.66	-3.61	-50.93
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)[N-]O1	REAL250005054895	0	31	-2.0	-92.38	288.58	-3.17	-95.55
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC1COC1	REAL250005054896	0	37	-1.0	-54.17	323.10	-1.32	-55.49
C[C@@H]1C[C@]2(C(=O)N(C)CCNC(=O)C3=CC(=O)[N-]O3)C[C@H]12	REAL250005054897	0	39	-1.0	-49.63	326.13	2.19	-47.44
CNC(=O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054898	0	35	-1.0	-61.76	306.81	-1.22	-62.98
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN=CN1C	REAL250005054899	0	34	-1.0	-51.06	299.77	1.39	-49.67
C[C@@H]1OCC[C@@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054900	0	39	-1.0	-51.84	320.58	-0.17	-52.01
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(F)C1	REAL250005054901	0	35	-1.0	-47.94	302.93	1.07	-46.87
CCC(O)C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054902	0	41	-1.0	-52.95	335.35	-0.69	-53.64
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC(=O)N1	REAL250005054903	0	36	-1.0	-55.66	316.34	-2.91	-58.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(O)C1CCC1	REAL250005054904	0	39	-1.0	-49.41	319.75	-0.73	-50.14
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1C[NH+](C)C1	REAL250005054905	0	41	0.0	-72.32	338.02	1.30	-71.02
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(O)C1	REAL250005054906	0	39	-1.0	-53.45	327.24	-1.85	-55.30
C=CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054907	0	32	-1.0	-49.78	283.63	0.30	-49.48
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005054908	0	37	0.0	-70.68	306.31	0.43	-70.25
CN(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054908	1	36	-1.0	-49.91	304.23	-1.96	-51.87
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005054909	0	29	-1.0	-58.48	270.19	-0.57	-59.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1F	REAL250005054910	0	32	-1.0	-47.48	288.23	0.59	-46.89
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054911	0	40	0.0	-67.99	323.12	0.85	-67.14
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005054911	1	39	-1.0	-49.53	312.96	-1.79	-51.32
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005054912	0	31	-1.0	-48.47	277.31	-0.10	-48.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(F)=NN1	REAL250005054913	0	32	-1.0	-49.58	290.43	-1.55	-51.13
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C=CCC1	REAL250005054914	0	36	-1.0	-48.84	301.87	1.33	-47.51
CCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005054915	0	39	-1.0	-51.97	319.78	-0.91	-52.88
C#CC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054916	0	36	-1.0	-52.62	305.91	0.89	-51.73
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CNC(=O)N1	REAL250005054917	0	35	-1.0	-58.97	305.78	-4.94	-63.91
CC1CC[N@@H+]1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054918	0	41	0.0	-69.20	337.86	1.51	-67.69
CC1CC[N@H+]1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054918	1	41	0.0	-68.04	332.36	1.25	-66.79
CC1CCN1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054918	1	40	-1.0	-51.42	334.55	-1.37	-52.79
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+](C)C	REAL250005054919	0	41	0.0	-76.13	341.72	1.69	-74.44
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCSC1	REAL250005054920	0	34	-1.0	-48.62	310.22	1.18	-47.44
CO[C@H](C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054921	0	35	-1.0	-53.12	298.12	-0.38	-53.50
CC(=O)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054922	0	36	-1.0	-49.11	315.31	0.42	-48.69
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC1O	REAL250005054923	0	39	-1.0	-52.48	323.25	-1.65	-54.13
C[C@@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054924	0	32	-1.0	-50.55	276.68	-2.59	-53.14
CC[NH+](CC)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054925	0	43	0.0	-68.53	338.17	1.52	-67.01
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC1	REAL250005054926	0	37	-1.0	-50.82	312.36	-2.35	-53.17
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005054926	1	38	0.0	-70.37	316.68	0.87	-69.50
CC(C)C(O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054927	0	41	-1.0	-52.58	336.95	-0.39	-52.97
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC(=O)C1	REAL250005054928	0	35	-1.0	-58.70	303.01	0.00	-58.70
CC(O)C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054929	0	38	-1.0	-52.85	311.46	-1.24	-54.09
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CCOC1	REAL250005054930	0	37	-1.0	-52.43	308.52	-3.88	-56.31
CCC(C)(C#N)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054931	0	38	-1.0	-48.20	317.51	0.44	-47.76
C=C1CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054932	0	33	-1.0	-49.41	294.28	1.08	-48.33
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC1	REAL250005054933	0	39	-1.0	-50.19	326.77	2.29	-47.90
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1OCCO1	REAL250005054934	0	37	-1.0	-51.93	317.85	-0.79	-52.72
COC(OC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054935	0	36	-1.0	-49.76	301.47	-0.97	-50.73
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(C#N)CC1	REAL250005054936	0	36	-1.0	-59.56	318.70	1.37	-58.19
COC(=O)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054937	0	37	-1.0	-49.43	326.18	0.55	-48.88
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCOC1	REAL250005054938	0	37	-1.0	-50.70	307.18	-0.50	-51.20
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(O)C(C)(C)C	REAL250005054939	0	41	-1.0	-49.23	326.85	-0.30	-49.53
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)COC1	REAL250005054940	0	36	-1.0	-49.50	302.91	-1.45	-50.95
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCCO1	REAL250005054941	0	37	-1.0	-48.68	312.89	0.71	-47.97
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCCO1	REAL250005054942	0	39	-1.0	-47.69	319.83	0.14	-47.55
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(=O)N1	REAL250005054943	0	33	-1.0	-56.88	294.94	-3.89	-60.77
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC(=O)N1	REAL250005054944	0	33	-1.0	-57.25	294.01	-4.00	-61.25
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCCC1	REAL250005054945	0	39	-1.0	-49.39	327.20	2.10	-47.29
CCC[C@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054946	0	38	-1.0	-49.84	320.40	-0.96	-50.80
CC1CC(C)(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054947	0	41	-1.0	-49.46	326.45	1.67	-47.79
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005054948	0	41	0.0	-67.82	332.25	1.34	-66.48
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005054948	1	40	-1.0	-51.14	328.07	-1.77	-52.91
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC1(F)F	REAL250005054949	0	32	-1.0	-52.46	291.93	0.70	-51.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CNN=C1	REAL250005054950	0	35	-1.0	-53.47	310.85	-0.78	-54.25
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC(=O)C1	REAL250005054951	0	37	-1.0	-50.84	312.56	0.27	-50.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CNC=C1	REAL250005054952	0	36	-1.0	-51.78	315.72	0.64	-51.14
CCCC(C)(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054953	0	41	-1.0	-47.27	334.20	-1.16	-48.43
CCOC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054954	0	41	-1.0	-53.96	328.94	0.74	-53.22
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC(=O)C1	REAL250005054955	0	37	-1.0	-54.59	321.63	0.91	-53.68
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CSC1	REAL250005054956	0	36	-1.0	-52.62	318.68	1.46	-51.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CCC1	REAL250005054957	0	35	-1.0	-46.59	301.06	0.97	-45.62
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=N1	REAL250005054958	0	32	-1.0	-52.43	286.12	0.20	-52.23
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN1	REAL250005054958	1	32	-1.0	-54.18	283.92	-0.14	-54.32
CC1=NOC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005054959	0	33	-1.0	-50.27	299.81	-2.57	-52.84
CCOC(=O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054960	0	37	-1.0	-57.39	324.53	1.62	-55.77
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(=O)C1	REAL250005054961	0	34	-1.0	-51.18	298.67	0.05	-51.13
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CN=N1	REAL250005054962	0	34	-1.0	-61.76	305.08	-1.16	-62.92
C=CC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005054963	0	39	-1.0	-49.35	319.46	2.04	-47.31
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)COC1	REAL250005054964	0	34	-1.0	-49.34	296.52	-4.80	-54.14
CCC(C)C(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054965	0	41	-1.0	-49.64	331.67	-0.43	-50.07
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005054966	0	36	-1.0	-49.91	318.16	1.83	-48.08
CC1=CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054967	0	33	-1.0	-50.00	295.75	1.22	-48.78
CN(C)C(=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054968	0	35	-1.0	-46.70	302.00	-1.37	-48.07
CC(=O)C1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054969	0	37	-1.0	-47.09	324.14	0.76	-46.33
CCCC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054970	0	38	-1.0	-49.49	318.60	-1.03	-50.52
CCCCC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054971	0	41	-1.0	-49.47	340.10	-0.25	-49.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1CC1	REAL250005054972	0	36	-1.0	-51.75	325.84	1.92	-49.83
CCC(O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054973	0	38	-1.0	-53.01	322.89	-1.11	-54.12
CNC(=O)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054974	0	38	-1.0	-50.67	330.33	-1.93	-52.60
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCF	REAL250005054975	0	37	-1.0	-49.78	320.31	1.44	-48.34
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CSN=C1	REAL250005054976	0	31	-1.0	-51.72	287.43	-0.63	-52.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC(=O)C1	REAL250005054977	0	37	-1.0	-53.19	316.15	0.63	-52.56
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC(=O)N1	REAL250005054978	0	33	-1.0	-57.42	295.22	-3.63	-61.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=NC=N1	REAL250005054979	0	34	-1.0	-60.33	305.97	1.58	-58.75
COC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005054980	0	36	-1.0	-47.37	310.71	-0.38	-47.75
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CSC1	REAL250005054981	0	33	-1.0	-49.03	295.44	0.60	-48.43
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=C(N)O1	REAL250005054982	0	33	-1.0	-50.84	297.55	-5.04	-55.88
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(CO)CC1	REAL250005054983	0	39	-1.0	-48.92	332.53	-1.54	-50.46
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC=CO1	REAL250005054984	0	37	-1.0	-52.74	311.12	1.18	-51.56
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CCCC1	REAL250005054985	0	39	-1.0	-47.82	320.20	-1.42	-49.24
CCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)COC1	REAL250005054986	0	39	-1.0	-50.17	321.69	-0.33	-50.50
CN(CCNC(=O)C1(C)CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054987	0	39	-1.0	-49.66	322.32	-0.13	-49.79
CN(CCNC(=O)C1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054988	0	33	-1.0	-58.42	292.86	-3.89	-62.31
C[C@@H]1OCC[C@@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054989	0	39	-1.0	-53.58	319.01	-0.28	-53.86
CN(CCNC(=O)C1CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054990	0	35	-1.0	-51.89	300.94	1.01	-50.88
CCC(O)C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054991	0	41	-1.0	-54.93	335.85	-0.43	-55.36
CN(CCNC(=O)CC1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005054992	0	36	-1.0	-58.13	313.35	-3.03	-61.16
CN(CCNC(=O)C(O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054993	0	39	-1.0	-51.81	322.59	-0.08	-51.89
CN(CCNC(=O)C1=CC=NO1)C(=O)C1=CC(=O)[N-]O1	REAL250005054994	0	31	-1.0	-49.59	282.10	-0.62	-50.21
CCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005054995	0	34	-1.0	-52.50	287.56	0.54	-51.96
CCN(CCNC(=O)CCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005054996	0	38	-1.0	-51.70	321.24	-0.39	-52.09
CCN(CCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054997	0	35	-1.0	-52.19	298.12	1.31	-50.88
CCN(CCNC(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054998	0	38	-1.0	-52.04	311.37	1.70	-50.34
CCN(CCNC(=O)C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054999	0	41	-1.0	-51.79	330.10	2.42	-49.37
CCN(CCNC(=O)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055000	0	38	-1.0	-52.64	318.51	2.08	-50.56
CCN(CCNC(=O)C(C)(C)F)C(=O)C1=CC(=O)[N-]O1	REAL250005055001	0	37	-1.0	-49.16	314.38	1.19	-47.97
CCN(CCNC(=O)C(C)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005055002	0	34	-1.0	-47.86	299.42	0.73	-47.13
CCN(CCNC(=O)COC)C(=O)C1=CC(=O)[N-]O1	REAL250005055003	0	35	-1.0	-55.64	300.29	-0.10	-55.74
CCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055004	0	37	-1.0	-52.28	309.06	1.30	-50.98
CCN(CCNC(=O)C1=CC=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005055005	0	35	-1.0	-52.25	304.25	0.74	-51.51
CCN(CCNC(=O)CNC(C)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005055006	0	38	-1.0	-53.02	326.23	-1.78	-54.80
CCN(CCNC(=O)CC(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055007	0	40	-1.0	-51.88	325.79	1.89	-49.99
CCN(CCNC(=O)C1CC1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055008	0	38	-1.0	-52.22	319.46	1.98	-50.24
CCOCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055009	0	38	-1.0	-55.71	322.14	0.86	-54.85
CCN(CCNC(=O)C=C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055010	0	38	-1.0	-51.55	317.32	1.85	-49.70
CCN(CCNC(=O)C1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005055011	0	39	-1.0	-55.96	320.65	1.00	-54.96
CCN(CCNC(=O)CSC)C(=O)C1=CC(=O)[N-]O1	REAL250005055012	0	35	-1.0	-54.79	310.63	0.96	-53.83
CCN(CCNC(=O)CCC(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055013	0	43	-1.0	-52.18	348.13	2.59	-49.59
CCN(CCNC(=O)C1=CC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005055014	0	36	-1.0	-54.97	310.07	0.64	-54.33
CCN(CCNC(=O)C1=COC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005055015	0	35	-1.0	-55.97	303.42	0.70	-55.27
CCCCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055016	0	43	-1.0	-52.20	352.06	2.86	-49.34
CCN(CCNC(=O)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055017	0	43	-1.0	-51.03	340.76	2.41	-48.62
CCCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055018	0	40	-1.0	-52.34	330.56	2.08	-50.26
CCN(CCNC(=O)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055019	0	37	-1.0	-52.08	307.11	1.21	-50.87
CCC(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055020	0	40	-1.0	-51.99	325.24	1.86	-50.13
CCC(CC)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055021	0	43	-1.0	-52.40	341.43	2.35	-50.05
CCN(CCNC(=O)C1=CC=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005055022	0	35	-1.0	-52.31	301.84	-0.79	-53.10
CCOC(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055023	0	41	-1.0	-55.48	341.93	1.56	-53.92
CCN(CCNC(=O)C1=CNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005055024	0	35	-1.0	-53.79	302.13	-0.83	-54.62
CCN(CCNC(=O)CCCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005055025	0	41	-1.0	-55.05	342.74	0.37	-54.68
CCN(CCNC(=O)C1=NOC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005055026	0	34	-1.0	-52.40	298.73	-0.02	-52.42
CCC=C(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055027	0	41	-1.0	-52.30	336.47	2.61	-49.69
CCN(CCNC(=O)C(C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005055028	0	38	-1.0	-55.56	320.07	0.60	-54.96
CCN(CCNC(=O)COC(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055029	0	41	-1.0	-55.69	342.42	1.59	-54.10
CCCOCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055030	0	41	-1.0	-55.50	343.64	1.66	-53.84
CCN(CCNC(=O)C1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055031	0	39	-1.0	-54.34	318.54	-0.21	-54.55
CCC(OC)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055032	0	41	-1.0	-54.24	340.91	1.46	-52.78
CCN(CCNC(=O)CC(C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005055033	0	41	-1.0	-53.19	340.38	1.13	-52.06
C=CCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055034	0	38	-1.0	-52.23	321.87	1.86	-50.37
CCOCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055035	0	41	-1.0	-51.63	343.09	0.57	-51.06
CCN(CCNC(=O)C(C)COC)C(=O)C1=CC(=O)[N-]O1	REAL250005055036	0	41	-1.0	-51.22	339.95	0.32	-50.90
C=CCOCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055037	0	39	-1.0	-56.07	335.04	1.43	-54.64
CCN(CCNC(=O)C1=COC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005055038	0	34	-1.0	-52.56	301.97	-2.56	-55.12
CCCC(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055039	0	43	-1.0	-52.09	346.74	2.61	-49.48
CCN(CCNC(=O)CCC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055040	0	41	-1.0	-52.29	340.68	2.87	-49.42
CCN(CCNC(=O)C1CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055041	0	39	-1.0	-51.86	320.17	2.19	-49.67
CCN(CCNC(=O)CC1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055042	0	41	-1.0	-52.48	332.54	2.48	-50.00
CCN(CCNC(=O)C(C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055043	0	41	-1.0	-52.36	336.42	2.65	-49.71
CC=C(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055044	0	38	-1.0	-52.50	315.88	1.82	-50.68
CCN(CCNC(=O)C1CC(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005055045	0	41	-1.0	-52.16	331.78	2.33	-49.83
CCN(CCNC(=O)C=C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055046	0	39	-1.0	-52.56	323.79	2.42	-50.14
CCN(CCNC(=O)C(F)=C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055047	0	38	-1.0	-48.38	322.05	1.91	-46.47
CCN(CCNC(=O)C1=CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055048	0	39	-1.0	-52.14	324.15	2.40	-49.74
CCN(CCNC(=O)C1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055049	0	41	-1.0	-51.49	334.68	2.53	-48.96
CCN(CCNC(=O)[C@H]1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055050	0	41	-1.0	-51.49	331.76	2.42	-49.07
CCN(CCNC(=O)[C@@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005055051	0	39	-1.0	-56.00	323.35	1.06	-54.94
CCC(C)CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055052	0	43	-1.0	-51.89	344.02	2.55	-49.34
C#CCCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055053	0	39	-1.0	-55.14	336.34	2.60	-52.54
CCN(CCNC(=O)CC(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055054	0	41	-1.0	-51.65	331.98	-0.16	-51.81
CCN(CCNC(=O)[C@H](O)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055055	0	41	-1.0	-51.96	331.81	-0.14	-52.10
CCC(C)=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055056	0	41	-1.0	-51.20	338.79	2.60	-48.60
CCN(CCNC(=O)C#CC(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055057	0	39	-1.0	-52.16	336.96	2.56	-49.60
CCN(CCNC(=O)C#CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055058	0	37	-1.0	-52.55	326.63	2.73	-49.82
C=C(C)CCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055059	0	41	-1.0	-51.88	343.49	2.53	-49.35
CCN(CCNC(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055060	0	38	-1.0	-51.95	312.91	1.80	-50.15
CCN(CCNC(=O)[C@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005055061	0	39	-1.0	-56.16	320.88	0.94	-55.22
CCN(CCNC(=O)C1=NNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005055062	0	34	-1.0	-50.58	297.55	-2.24	-52.82
CCN(CCNC(=O)C1=CN=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005055062	1	34	-1.0	-52.80	296.65	-2.17	-54.97
CCN(CCNC(=O)CC1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055063	0	41	-1.0	-52.17	334.77	2.44	-49.73
CCN(CCNC(=O)C1=CN=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005055064	0	34	-1.0	-52.74	301.97	-2.46	-55.20
C=CC(C)(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055065	0	41	-1.0	-52.43	334.76	2.17	-50.26
CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055066	0	38	-1.0	-51.92	319.05	1.96	-49.96
CCN(CCNC(=O)C1(C)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055067	0	41	-1.0	-52.06	328.56	2.23	-49.83
CCC(F)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055068	0	37	-1.0	-53.33	315.34	1.34	-51.99
CCN(CCNC(=O)CCCF)C(=O)C1=CC(=O)[N-]O1	REAL250005055069	0	37	-1.0	-55.16	315.65	1.44	-53.72
CCN(CCNC(=O)[C@H]1C[C@@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055070	0	38	-1.0	-51.88	319.02	1.97	-49.91
C=CCCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055071	0	41	-1.0	-52.62	343.37	2.64	-49.98
CCN(CCNC(=O)C(C)(C)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055072	0	43	-1.0	-52.13	340.22	2.27	-49.86
CCN(CCNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005055073	0	32	-1.0	-49.36	282.91	-4.14	-53.50
CCN(CCNC(=O)CC1CC1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055074	0	41	-1.0	-52.61	336.95	2.64	-49.97
CCN(CCNC(=O)C1(CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055075	0	41	-1.0	-52.30	336.51	2.36	-49.94
CCN(CCNC(=O)C1(CF)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055076	0	38	-1.0	-50.71	320.60	2.00	-48.71
CCN(CCNC(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055077	0	40	-1.0	-51.97	326.00	1.77	-50.20
CCN(CCNC(=O)C(C)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055078	0	43	-1.0	-51.46	341.13	2.41	-49.05
CC[C@@H]1C[C@H]1C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055079	0	41	-1.0	-52.13	340.96	2.74	-49.39
CCN(CCNC(=O)C1CC12CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005055080	0	39	-1.0	-52.57	327.60	2.65	-49.92
CCN(CCNC(=O)[C@@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005055081	0	36	-1.0	-59.51	311.99	-3.02	-62.53
CCN(CCNC(=O)[C@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005055082	0	36	-1.0	-60.43	311.99	-3.12	-63.55
CCN(CCNC(=O)C1(OC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055083	0	39	-1.0	-54.80	326.03	1.06	-53.74
CCN(CCNC(=O)C1CSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055084	0	36	-1.0	-51.82	314.16	1.46	-50.36
C=CCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055085	0	35	-1.0	-52.67	300.48	1.08	-51.59
CCN(CCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055086	0	40	0.0	-73.85	323.15	1.25	-72.60
CCN(CCNC(=O)CN(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055086	1	39	-1.0	-52.87	321.07	-1.13	-54.00
C=CC(O)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055087	0	36	-1.0	-52.68	311.57	-1.05	-53.73
CCN(CCNC(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055088	0	36	-1.0	-52.52	304.92	-0.96	-53.48
CCN(CCNC(=O)[C@@H](C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005055089	0	38	-1.0	-55.55	317.15	0.50	-55.05
CC=CC(O)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055090	0	39	-1.0	-52.35	333.28	-0.19	-52.54
CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055091	0	43	0.0	-70.88	337.49	1.59	-69.29
CCN(CCNC(=O)[C@H](C)N(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055091	1	42	-1.0	-52.84	334.80	-0.76	-53.60
CCC=C(F)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055092	0	38	-1.0	-48.70	326.41	1.95	-46.75
CCC=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055093	0	38	-1.0	-52.21	322.23	1.91	-50.30
CCN(CCNC(=O)C(C)(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005055095	0	41	-1.0	-51.60	335.35	-1.43	-53.03
CCN(CCNC(=O)C1(F)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055096	0	38	-1.0	-50.25	317.73	1.74	-48.51
CCN(CCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005055097	0	32	-1.0	-57.40	278.03	-2.38	-59.78
CCN(CCNC(=O)C=CC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005055098	0	36	-1.0	-53.69	317.53	-2.82	-56.51
CCN(CCNC(=O)C(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055099	0	35	-1.0	-52.65	298.36	-1.60	-54.25
CCN(CCNC(=O)C1(O)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055100	0	39	-1.0	-52.22	317.91	-1.36	-53.58
CCN(CCNC(=O)C(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055101	0	39	-1.0	-52.26	323.74	0.09	-52.17
C=CCC(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055102	0	41	-1.0	-51.89	339.74	2.45	-49.44
CCN(CCNC(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005055103	0	35	-1.0	-55.60	304.29	1.37	-54.23
CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055104	0	43	0.0	-70.88	337.49	1.59	-69.29
CCN(CCNC(=O)[C@H](C)N(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055104	1	42	-1.0	-52.84	334.80	-0.76	-53.60
CCN(CCNC(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005055105	0	34	-1.0	-51.22	294.16	0.68	-50.54
CCN(CCNC(=O)C1(O)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055106	0	37	-1.0	-53.27	313.20	-3.48	-56.75
CCN(CCNC(=O)C(C)=C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055107	0	39	-1.0	-52.97	330.34	2.77	-50.20
CCC1CC1C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055108	0	41	-1.0	-51.56	335.40	2.76	-48.80
CCN(CCNC(=O)CC1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055109	0	39	-1.0	-56.18	325.24	-1.54	-57.72
CCN(CCNC(=O)C=CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005055110	0	35	-1.0	-54.62	307.32	1.26	-53.36
C#CCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055111	0	36	-1.0	-52.15	314.85	1.82	-50.33
CCN(CCNC(=O)CN1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055112	0	40	-1.0	-54.17	326.00	-1.65	-55.82
CCN(CCNC(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055112	1	41	0.0	-73.94	330.32	1.57	-72.37
C#C[C@H]1C[C@H]1C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055113	0	37	-1.0	-55.26	317.99	2.35	-52.91
CCN(CCNC(=O)C1C2CCC21)C(=O)C1=CC(=O)[N-]O1	REAL250005055114	0	39	-1.0	-52.12	320.78	2.64	-49.48
C=C1CCC1C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055115	0	39	-1.0	-51.24	324.19	2.18	-49.06
CCN(CCNC(=O)C1[C@H](C)[C@@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055116	0	41	-1.0	-50.88	327.86	2.47	-48.41
CCN(CCNC(=O)[C@@H](C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055117	0	43	0.0	-72.68	338.45	1.55	-71.13
CCN(CCNC(=O)[C@@H](C)N(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055117	1	42	-1.0	-52.24	329.84	-0.89	-53.13
CC=CC=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055118	0	39	-1.0	-52.35	336.31	2.58	-49.77
CCN(CCNC(=O)C=CCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005055119	0	39	-1.0	-54.58	334.50	0.18	-54.40
CCN(CCNC(=O)C1(C)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055120	0	39	-1.0	-51.92	320.32	-0.47	-52.39
CCN(CCNC(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005055121	0	36	-1.0	-55.81	303.23	-0.07	-55.88
CCN(CCNC(=O)CCN=[N+]=[N-])C(=O)C1=CC(=O)[N-]O1	REAL250005055122	0	36	-1.0	-51.26	317.68	-2.85	-54.11
C#CCOCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055123	0	37	-1.0	-58.52	327.93	1.39	-57.13
CCN(CCNC(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055124	0	38	-1.0	-50.45	318.05	-2.03	-52.48
CCN(CCNC(=O)C1C=C1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055125	0	36	-1.0	-52.80	310.20	1.88	-50.92
CCN(CCNC(=O)C(=O)N(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055126	0	38	-1.0	-49.33	320.30	-0.64	-49.97
CCN(CCNC(=O)C=CSC)C(=O)C1=CC(=O)[N-]O1	REAL250005055127	0	36	-1.0	-51.46	323.19	1.45	-50.01
CCN(CCNC(=O)C(C)(O)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055128	0	41	-1.0	-50.42	334.66	-1.37	-51.79
CCN(CCNC(=O)C[N@H+](C)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055129	0	43	0.0	-73.07	337.95	1.81	-71.26
CCN(CCNC(=O)C[N@@H+](C)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055129	1	43	0.0	-73.05	340.88	1.92	-71.13
CCN(C)CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055129	1	42	-1.0	-52.76	339.04	-0.34	-53.10
C=C1CC(C(=O)NCCN(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055130	0	39	-1.0	-51.67	327.81	2.32	-49.35
CCN(CCNC(=O)C1CCC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005055131	0	38	-1.0	-56.29	315.40	1.80	-54.49
CCN(CCNC(=O)C1=CN=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005055132	0	35	-1.0	-56.10	304.89	0.37	-55.73
CCN(CCNC(=O)C1=CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005055133	0	37	-1.0	-50.74	312.73	0.30	-50.44
CCC[C@H](O)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055134	0	41	-1.0	-52.62	337.42	-0.10	-52.72
CCN(CCNC(=O)[C@@H](O)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055135	0	41	-1.0	-52.46	334.65	-0.07	-52.53
CCOC=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055136	0	39	-1.0	-51.45	334.21	0.77	-50.68
CCN(CCNC(=O)[C@@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055137	0	35	-1.0	-52.56	295.44	-1.70	-54.26
CCN(CCNC(=O)C=CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005055138	0	36	-1.0	-56.04	312.24	-2.22	-58.26
CCN(CCNC(=O)C(C)(C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005055139	0	41	-1.0	-55.88	332.02	1.09	-54.79
CCN(CCNC(=O)CCCCO)C(=O)C1=CC(=O)[N-]O1	REAL250005055140	0	41	-1.0	-53.41	341.98	-1.26	-54.67
CCN(CCNC(=O)C1(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055141	0	39	-1.0	-56.33	325.71	-1.69	-58.02
CCN(CCNC(=O)C(F)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005055142	0	35	-1.0	-55.51	306.19	-0.62	-56.13
CCN(CCNC(=O)C12CC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005055143	0	39	-1.0	-52.46	326.54	2.50	-49.96
C=C[C@H](C)CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055144	0	41	-1.0	-51.80	338.58	2.42	-49.38
CCN(CCNC(=O)C=CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055145	0	39	-1.0	-52.16	333.12	2.72	-49.44
CC=C(CC)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055146	0	41	-1.0	-52.02	336.92	2.53	-49.49
C=CC(C)(O)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055147	0	39	-1.0	-50.84	328.23	-1.29	-52.13
CCN(CCNC(=O)C1=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055148	0	36	-1.0	-53.00	308.57	1.88	-51.12
CCN(CCNC(=O)C=NOC)C(=O)C1=CC(=O)[N-]O1	REAL250005055149	0	35	-1.0	-54.57	310.03	-0.89	-55.46
CCN(CCNC(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055150	0	35	-1.0	-49.74	301.35	1.25	-48.49
CCN(CCNC(=O)C1=NOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055151	0	36	-1.0	-49.57	308.68	-0.73	-50.30
C#CC(C)(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055152	0	39	-1.0	-54.61	331.82	2.21	-52.40
CCN(CCNC(=O)COC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055153	0	39	-1.0	-56.61	332.51	1.64	-54.97
CCN(CCNC(=O)C1=NC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005055154	0	35	-1.0	-52.22	306.02	-0.43	-52.65
CCCC=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055155	0	41	-1.0	-52.05	343.73	2.68	-49.37
CC=C(F)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055156	0	35	-1.0	-48.97	306.11	1.21	-47.76
CCC(CO)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055157	0	41	-1.0	-51.68	334.94	-1.37	-53.05
CCN(CCNC(=O)C(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005055158	0	38	-1.0	-51.61	317.70	-2.08	-53.69
CCN(CCNC(=O)C1=CON=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005055159	0	34	-1.0	-52.27	301.29	0.25	-52.02
CCN(CCNC(=O)[C@@H]1C[C@H]1CF)C(=O)C1=CC(=O)[N-]O1	REAL250005055160	0	38	-1.0	-53.54	325.71	2.11	-51.43
C#CC1(C(=O)NCCN(CC)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005055161	0	37	-1.0	-50.79	320.85	2.27	-48.52
CCN(CCNC(=O)C1=COCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055162	0	37	-1.0	-52.61	314.26	0.38	-52.23
CCN(CCNC(=O)[C@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055163	0	35	-1.0	-53.34	298.37	-1.60	-54.94
CCN(CCNC(=O)C1C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055164	0	39	-1.0	-51.74	323.16	2.33	-49.41
CCN(CCNC(=O)C(C)C(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055165	0	41	-1.0	-50.93	333.97	-1.34	-52.27
C=C1CC1C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055166	0	36	-1.0	-52.20	311.66	1.88	-50.32
CCN(CCNC(=O)C(C)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005055167	0	37	-1.0	-50.62	312.91	1.33	-49.29
C=C(C)CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055168	0	38	-1.0	-52.20	321.83	1.72	-50.48
CCN(CCNC(=O)C(C)=C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055169	0	41	-1.0	-51.71	331.04	2.54	-49.17
CCCC(O)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055170	0	41	-1.0	-52.62	340.35	0.01	-52.61
CCC(O)CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055171	0	41	-1.0	-55.94	339.73	-0.31	-56.25
CC=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055172	0	35	-1.0	-52.41	301.14	1.15	-51.26
CCN(CCNC(=O)C1(C)CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005055173	0	38	-1.0	-51.30	322.04	1.99	-49.31
CCN(CCNC(=O)[C@H]1C[C@@H](O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005055174	0	39	-1.0	-55.86	323.28	-1.70	-57.56
CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055175	0	38	-1.0	-51.92	319.05	1.96	-49.96
CCN(CCNC(=O)CC(=O)NC)C(=O)C1=CC(=O)[N-]O1	REAL250005055176	0	38	-1.0	-64.73	323.65	-0.42	-65.15
C=CC=CCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055177	0	39	-1.0	-53.08	335.73	2.50	-50.58
CCN(CCNC(=O)CCC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005055178	0	38	-1.0	-53.45	325.25	-2.63	-56.08
CCN(CCNC(=O)CCC(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055179	0	41	-1.0	-51.94	340.87	-1.20	-53.14
C#CCC(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055180	0	39	-1.0	-51.61	332.72	2.39	-49.22
CCN(CCNC(=O)C(C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005055181	0	41	-1.0	-56.04	336.66	-1.50	-57.54
CCN(CCNC(=O)[C@H](O)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005055182	0	35	-1.0	-52.74	301.74	-1.55	-54.29
CCN(CCNC(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055183	0	36	-1.0	-51.80	306.44	-1.76	-53.56
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005055184	0	38	-1.0	-49.14	321.90	2.23	-46.91
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)F	REAL250005055185	0	37	-1.0	-48.38	305.23	0.90	-47.48
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(F)F	REAL250005055186	0	34	-1.0	-44.87	293.93	0.50	-44.37
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC	REAL250005055187	0	35	-1.0	-52.69	299.66	-0.05	-52.74
CCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055188	0	37	-1.0	-49.33	308.42	1.33	-48.00
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CO1	REAL250005055189	0	35	-1.0	-49.73	307.01	1.11	-48.62
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CNC(C)=O	REAL250005055190	0	38	-1.0	-50.18	325.61	-1.81	-51.99
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)C	REAL250005055191	0	40	-1.0	-48.84	325.16	1.92	-46.92
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1C	REAL250005055192	0	38	-1.0	-49.47	319.86	2.02	-47.45
CCOCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055193	0	38	-1.0	-52.84	321.50	0.91	-51.93
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C(C)C	REAL250005055194	0	38	-1.0	-48.73	317.22	1.91	-46.82
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCO1	REAL250005055195	0	39	-1.0	-50.36	319.93	0.93	-49.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC	REAL250005055196	0	35	-1.0	-51.96	310.00	1.01	-50.95
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(C)C	REAL250005055197	0	43	-1.0	-49.35	347.50	2.63	-46.72
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN1	REAL250005055198	0	36	-1.0	-52.39	303.49	1.22	-51.17
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=C1	REAL250005055199	0	35	-1.0	-50.11	304.00	0.64	-49.47
CCCCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055200	0	43	-1.0	-49.30	351.42	2.89	-46.41
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)C	REAL250005055201	0	43	-1.0	-48.09	340.13	2.45	-45.64
CCCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055202	0	40	-1.0	-49.39	329.92	2.11	-47.28
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C	REAL250005055203	0	37	-1.0	-49.38	303.74	0.99	-48.39
CCC(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055204	0	40	-1.0	-46.75	323.42	1.65	-45.10
CCC(CC)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055205	0	43	-1.0	-46.59	338.31	2.12	-44.47
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC=C1	REAL250005055206	0	35	-1.0	-51.79	305.24	-0.14	-51.93
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1	REAL250005055206	1	35	-1.0	-49.69	301.61	-0.28	-49.97
CCOC(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055207	0	41	-1.0	-52.99	338.61	1.41	-51.58
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNN=C1	REAL250005055208	0	35	-1.0	-50.60	300.93	-1.09	-51.69
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCOC	REAL250005055209	0	41	-1.0	-52.06	342.11	0.40	-51.66
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOC=C1	REAL250005055210	0	34	-1.0	-49.84	301.12	0.69	-49.15
CCC=C(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055211	0	41	-1.0	-49.43	341.04	2.42	-47.01
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)OC	REAL250005055212	0	38	-1.0	-49.67	316.22	0.45	-49.22
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC(C)C	REAL250005055213	0	41	-1.0	-52.79	341.78	1.65	-51.14
CCCOCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055214	0	41	-1.0	-52.61	343.00	1.71	-50.90
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCOC1	REAL250005055215	0	39	-1.0	-48.98	324.86	-0.10	-49.08
CCC(OC)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055216	0	41	-1.0	-49.02	331.96	1.07	-47.95
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)OC	REAL250005055217	0	41	-1.0	-51.17	339.75	1.14	-50.03
C=CCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055218	0	38	-1.0	-49.36	321.23	1.89	-47.47
CCOCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055219	0	41	-1.0	-48.68	342.45	0.60	-48.08
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)COC	REAL250005055220	0	41	-1.0	-47.08	337.95	0.09	-46.99
C=CCOCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055221	0	39	-1.0	-53.18	334.40	1.48	-51.70
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=N1	REAL250005055222	0	34	-1.0	-49.68	301.22	-0.97	-50.65
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C#N	REAL250005055223	0	35	-1.0	-56.52	303.17	0.61	-55.91
CCCC(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055224	0	43	-1.0	-46.72	344.92	2.42	-44.30
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CC1	REAL250005055225	0	41	-1.0	-49.33	340.05	2.90	-46.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC=CC1	REAL250005055226	0	39	-1.0	-48.71	323.65	2.32	-46.39
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCC1	REAL250005055227	0	41	-1.0	-49.58	334.84	2.62	-46.96
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C1CC1	REAL250005055228	0	41	-1.0	-49.12	337.11	2.59	-46.53
CC=C(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055229	0	38	-1.0	-49.55	318.90	1.62	-47.93
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)C1	REAL250005055230	0	41	-1.0	-48.90	335.41	2.50	-46.40
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CCC1	REAL250005055231	0	39	-1.0	-49.09	331.14	2.74	-46.35
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)=C(C)C	REAL250005055232	0	38	-1.0	-50.57	327.20	1.71	-48.86
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCC1	REAL250005055233	0	39	-1.0	-49.51	318.59	2.11	-47.40
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1(C)C	REAL250005055234	0	41	-1.0	-48.76	335.09	2.58	-46.18
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC1(C)C	REAL250005055235	0	41	-1.0	-48.19	338.32	2.65	-45.54
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCCO1	REAL250005055236	0	39	-1.0	-52.99	320.03	0.92	-52.07
CCC(C)CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055237	0	43	-1.0	-48.91	343.38	2.59	-46.32
C#CCCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055238	0	39	-1.0	-52.13	335.70	2.63	-49.50
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)O	REAL250005055239	0	41	-1.0	-52.18	333.92	-0.37	-52.55
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](O)C(C)C	REAL250005055240	0	41	-1.0	-48.25	334.14	-0.14	-48.39
CCC(C)=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055241	0	41	-1.0	-48.40	339.07	2.68	-45.72
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC(C)C	REAL250005055242	0	39	-1.0	-50.31	339.01	2.67	-47.64
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC1CC1	REAL250005055243	0	37	-1.0	-50.42	328.68	2.84	-47.58
CCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055244	0	34	-1.0	-49.39	286.92	0.56	-48.83
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCOC	REAL250005055245	0	38	-1.0	-48.81	320.61	-0.37	-49.18
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005055246	0	35	-1.0	-48.89	301.72	1.42	-47.47
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1	REAL250005055247	0	38	-1.0	-48.86	316.08	1.87	-46.99
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC1	REAL250005055248	0	41	-1.0	-49.69	329.41	2.32	-47.37
C=CCCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055249	0	41	-1.0	-49.70	342.73	2.67	-47.03
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CC	REAL250005055250	0	43	-1.0	-49.99	326.80	1.70	-48.29
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005055251	0	32	-1.0	-46.81	280.03	-3.99	-50.80
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1C	REAL250005055252	0	41	-1.0	-49.16	343.27	2.90	-46.26
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CC)CC1	REAL250005055253	0	41	-1.0	-49.45	336.19	2.32	-47.13
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C	REAL250005055254	0	40	-1.0	-49.71	311.80	1.15	-48.56
C=C(C)CCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055255	0	41	-1.0	-48.98	342.87	2.56	-46.42
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CF)CC1	REAL250005055256	0	38	-1.0	-48.60	318.96	1.56	-47.04
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C(C)C	REAL250005055257	0	43	-1.0	-49.01	337.77	2.17	-46.84
CC[C@@H]1C[C@H]1C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055258	0	41	-1.0	-48.95	345.31	2.92	-46.03
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC12CC2	REAL250005055259	0	39	-1.0	-49.74	330.94	2.83	-46.91
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCO1	REAL250005055260	0	39	-1.0	-52.86	324.11	1.07	-51.79
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(C)CC1	REAL250005055261	0	41	-1.0	-49.03	337.99	2.61	-46.42
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1	REAL250005055262	0	38	-1.0	-46.54	311.55	1.49	-45.05
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=C1	REAL250005055263	0	36	-1.0	-55.16	306.50	0.38	-54.78
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CO1	REAL250005055264	0	34	-1.0	-50.51	301.50	-2.17	-52.68
C=CC(C)(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055265	0	41	-1.0	-50.16	320.50	1.52	-48.64
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C	REAL250005055266	0	38	-1.0	-48.85	323.10	2.10	-46.75
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCC1	REAL250005055267	0	41	-1.0	-49.27	325.88	2.00	-47.27
CCC(F)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055268	0	37	-1.0	-46.20	314.81	1.30	-44.90
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCF	REAL250005055269	0	37	-1.0	-52.07	315.02	1.47	-50.60
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@@H]1C	REAL250005055270	0	38	-1.0	-48.84	323.06	2.10	-46.74
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNN=C1	REAL250005055271	0	34	-1.0	-48.26	299.97	-1.56	-49.82
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005055272	0	32	-1.0	-54.32	277.40	-2.33	-56.65
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(N)=O	REAL250005055273	0	36	-1.0	-50.92	317.92	-2.76	-53.68
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(=O)OC	REAL250005055274	0	37	-1.0	-57.24	318.88	1.51	-55.73
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CSC	REAL250005055275	0	36	-1.0	-48.74	323.53	1.54	-47.20
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(N)=O	REAL250005055276	0	38	-1.0	-50.44	324.61	-2.61	-53.05
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCO1	REAL250005055277	0	36	-1.0	-53.75	306.73	0.20	-53.55
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCO1	REAL250005055278	0	37	-1.0	-47.91	315.23	0.95	-46.96
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC1	REAL250005055279	0	36	-1.0	-49.52	302.95	-1.00	-50.52
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005055280	0	36	-1.0	-53.27	312.63	-2.14	-55.41
CC=CC(O)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055281	0	39	-1.0	-49.74	328.21	-0.39	-50.13
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)[NH+](C)C	REAL250005055282	0	43	0.0	-67.99	338.77	1.56	-66.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)N(C)C	REAL250005055282	1	42	-1.0	-49.60	338.78	-0.68	-50.28
CCC=C(F)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055283	0	38	-1.0	-46.57	323.25	1.86	-44.71
CCC=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055284	0	38	-1.0	-49.49	322.60	1.99	-47.50
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCN=[N+]=[N-]	REAL250005055285	0	36	-1.0	-48.37	317.08	-2.82	-51.19
C#CCOCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055286	0	37	-1.0	-55.52	327.28	1.44	-54.08
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(C)O	REAL250005055287	0	41	-1.0	-49.11	340.24	-1.18	-50.29
C#CCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055288	0	36	-1.0	-49.22	314.20	1.85	-47.37
CC=CC=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055289	0	39	-1.0	-49.59	336.67	2.66	-46.93
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCOC	REAL250005055290	0	39	-1.0	-51.85	334.88	0.27	-51.58
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(O)CC	REAL250005055291	0	41	-1.0	-47.13	325.73	-0.85	-47.98
C#CCC(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055292	0	39	-1.0	-46.98	330.73	2.22	-44.76
C=CC(O)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055293	0	36	-1.0	-50.03	306.50	-1.21	-51.24
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C12CC1CC2	REAL250005055294	0	39	-1.0	-49.53	321.71	2.29	-47.24
C=C[C@H](C)CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055295	0	41	-1.0	-48.89	337.93	2.45	-46.44
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1CC1	REAL250005055296	0	39	-1.0	-48.88	337.53	2.93	-45.95
CCC(C#N)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055297	0	38	-1.0	-50.21	326.72	1.39	-48.82
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C2CCC21	REAL250005055298	0	39	-1.0	-49.20	320.39	2.62	-46.58
C=C1CCC1C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055299	0	39	-1.0	-48.41	326.64	2.24	-46.17
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1[C@H](C)[C@@H]1C	REAL250005055300	0	41	-1.0	-48.90	340.39	2.70	-46.20
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC	REAL250005055301	0	43	0.0	-70.11	340.26	1.91	-68.20
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC	REAL250005055301	1	43	0.0	-70.08	340.25	1.91	-68.17
CCN(C)CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055301	1	42	-1.0	-49.77	338.40	-0.36	-50.13
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)O	REAL250005055302	0	35	-1.0	-51.17	294.48	-1.81	-52.98
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)=O	REAL250005055303	0	33	-1.0	-46.29	286.88	-0.19	-46.48
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCC#N	REAL250005055304	0	38	-1.0	-57.91	329.29	1.85	-56.06
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C#N)CC1	REAL250005055305	0	36	-1.0	-47.58	314.53	1.28	-46.30
C=C1CC(C(=O)N(CC)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055306	0	39	-1.0	-48.90	325.78	2.28	-46.62
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC1	REAL250005055307	0	35	-1.0	-46.04	303.40	1.36	-44.68
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)OC	REAL250005055308	0	41	-1.0	-53.70	318.70	0.52	-53.18
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)CC#N	REAL250005055309	0	38	-1.0	-49.28	324.30	1.40	-47.88
CCC1CC1C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055310	0	41	-1.0	-48.33	339.03	2.86	-45.47
C=CC(C)(O)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055311	0	39	-1.0	-45.54	319.83	-0.87	-46.41
CCCC=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055312	0	41	-1.0	-49.27	344.10	2.76	-46.51
CC=C(F)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055313	0	35	-1.0	-46.82	302.94	1.12	-45.70
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)[NH+](C)C	REAL250005055314	0	43	0.0	-68.29	344.16	1.78	-66.51
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)N(C)C	REAL250005055314	1	42	-1.0	-49.75	338.97	-0.69	-50.44
CCOC=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055315	0	39	-1.0	-48.71	334.54	0.84	-47.87
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC(C)=O	REAL250005055316	0	37	-1.0	-51.91	323.01	1.54	-50.37
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(C)=O	REAL250005055317	0	37	-1.0	-49.46	324.90	1.09	-48.37
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC1	REAL250005055318	0	39	-1.0	-53.73	331.88	1.69	-52.04
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=CN1	REAL250005055319	0	35	-1.0	-49.32	305.39	0.54	-48.78
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)CO	REAL250005055320	0	38	-1.0	-47.57	315.70	-2.31	-49.88
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CON=C1	REAL250005055321	0	34	-1.0	-49.10	296.75	-0.08	-49.18
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCO	REAL250005055322	0	41	-1.0	-50.40	341.35	-1.23	-51.63
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)C1CC1	REAL250005055323	0	37	-1.0	-45.91	320.61	1.52	-44.39
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC1	REAL250005055324	0	39	-1.0	-52.68	332.37	-1.28	-53.96
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1F	REAL250005055325	0	38	-1.0	-49.48	322.87	1.98	-47.50
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1CF	REAL250005055326	0	38	-1.0	-51.87	325.65	2.10	-49.77
CCC(CO)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055327	0	41	-1.0	-48.94	339.23	-1.54	-50.48
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@@H]1C#N	REAL250005055328	0	36	-1.0	-60.66	314.66	1.59	-59.07
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCC1	REAL250005055329	0	37	-1.0	-50.07	307.80	0.07	-50.00
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CC1	REAL250005055330	0	36	-1.0	-48.60	304.97	-1.19	-49.79
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005055331	0	36	-1.0	-50.74	301.68	1.64	-49.10
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)CF	REAL250005055332	0	37	-1.0	-46.39	310.87	1.13	-45.26
CC=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055333	0	35	-1.0	-49.66	301.51	1.23	-48.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1F	REAL250005055334	0	38	-1.0	-53.71	318.85	1.74	-51.97
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005055335	0	35	-1.0	-51.78	307.71	1.34	-50.44
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CO)CC1	REAL250005055336	0	39	-1.0	-49.94	322.66	-1.16	-51.10
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NO1	REAL250005055337	0	34	-1.0	-47.66	301.30	0.25	-47.41
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)O	REAL250005055339	0	35	-1.0	-53.40	298.31	-1.69	-55.09
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=NOC	REAL250005055340	0	35	-1.0	-51.89	310.42	-0.84	-52.73
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](O)C(C)C	REAL250005055341	0	41	-1.0	-48.88	330.46	-0.27	-49.15
C#CC1(C(=O)N(CC)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005055342	0	37	-1.0	-48.30	321.01	2.12	-46.18
C=CC=CCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055343	0	39	-1.0	-50.22	335.08	2.53	-47.69
C#C[C@H]1C[C@H]1C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055344	0	37	-1.0	-51.88	325.38	2.65	-49.23
CC=C(CC)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055345	0	41	-1.0	-49.64	338.39	2.25	-47.39
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)OC	REAL250005055346	0	35	-1.0	-49.72	306.74	-0.60	-50.32
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C#N	REAL250005055347	0	36	-1.0	-50.80	323.51	1.90	-48.90
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@@H](O)C1	REAL250005055348	0	39	-1.0	-53.02	323.48	-1.66	-54.68
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CO	REAL250005055349	0	41	-1.0	-49.34	321.48	-2.06	-51.40
C=CCC(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055350	0	41	-1.0	-46.44	337.76	2.25	-44.19
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C	REAL250005055351	0	38	-1.0	-48.85	323.10	2.10	-46.75
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)O	REAL250005055352	0	38	-1.0	-47.13	308.91	-1.55	-48.68
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOCC1	REAL250005055353	0	36	-1.0	-46.93	311.12	-0.04	-46.97
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)C#N	REAL250005055354	0	38	-1.0	-49.40	324.48	1.60	-47.80
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)CCO	REAL250005055355	0	41	-1.0	-49.90	334.84	-1.71	-51.61
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](O)CF	REAL250005055356	0	35	-1.0	-48.94	303.81	-1.52	-50.46
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CCC1	REAL250005055357	0	39	-1.0	-47.72	319.06	-1.32	-49.04
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(O)C1CC1	REAL250005055358	0	39	-1.0	-49.55	322.49	-0.07	-49.62
C=C(C)CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055359	0	38	-1.0	-49.21	321.44	1.76	-47.45
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C#N	REAL250005055360	0	38	-1.0	-56.27	311.18	0.70	-55.57
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)=C(C)C	REAL250005055361	0	41	-1.0	-50.04	337.34	2.13	-47.91
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(=O)NC	REAL250005055362	0	38	-1.0	-61.45	323.02	-0.41	-61.86
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(F)C1	REAL250005055363	0	38	-1.0	-51.70	322.71	1.97	-49.73
C=CCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055364	0	35	-1.0	-49.65	299.83	1.10	-48.55
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005055365	0	40	0.0	-70.79	322.52	1.24	-69.55
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN(C)C	REAL250005055365	1	39	-1.0	-49.80	320.44	-1.15	-50.95
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005055366	0	32	-1.0	-57.90	286.40	0.24	-57.66
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1F	REAL250005055367	0	35	-1.0	-52.57	308.72	1.54	-51.03
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)[NH+](C)C	REAL250005055368	0	43	0.0	-67.99	338.77	1.56	-66.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)N(C)C	REAL250005055368	1	42	-1.0	-49.60	338.78	-0.68	-50.28
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005055369	0	34	-1.0	-48.23	293.52	0.70	-47.53
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C=CCC1	REAL250005055370	0	39	-1.0	-46.73	319.04	2.12	-44.61
C#CC(C)(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055371	0	39	-1.0	-52.41	317.60	1.58	-50.83
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)OC	REAL250005055372	0	38	-1.0	-52.18	319.84	0.56	-51.62
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(C)=O	REAL250005055373	0	39	-1.0	-48.96	331.52	1.23	-47.73
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)O	REAL250005055374	0	35	-1.0	-53.23	298.30	-1.67	-54.90
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC1	REAL250005055375	0	40	-1.0	-50.23	332.33	-1.43	-51.66
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005055375	1	41	0.0	-69.87	336.65	1.78	-68.09
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C(C)O	REAL250005055376	0	41	-1.0	-51.02	328.38	-0.47	-51.49
C=C1CC1C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055377	0	36	-1.0	-49.34	311.16	1.91	-47.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)COC1	REAL250005055378	0	39	-1.0	-49.18	318.35	-0.66	-49.84
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(=O)N1	REAL250005055379	0	36	-1.0	-55.46	310.96	-3.11	-58.57
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC(=O)N1	REAL250005055380	0	36	-1.0	-55.83	311.03	-2.85	-58.68
CCC[C@H](O)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055381	0	41	-1.0	-48.93	337.83	-0.16	-49.09
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CCC1	REAL250005055382	0	38	-1.0	-46.28	318.26	1.83	-44.45
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=N1	REAL250005055383	0	35	-1.0	-51.70	305.46	1.34	-50.36
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN1	REAL250005055383	1	35	-1.0	-53.24	301.63	1.09	-52.15
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(=O)C1	REAL250005055384	0	37	-1.0	-50.98	314.84	0.84	-50.14
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)COC1	REAL250005055385	0	37	-1.0	-48.62	310.17	-3.58	-52.20
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)=C1CC1	REAL250005055386	0	39	-1.0	-50.16	328.16	2.48	-47.68
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C=C1C	REAL250005055387	0	36	-1.0	-49.77	313.57	2.06	-47.71
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)N(C)C	REAL250005055388	0	38	-1.0	-46.56	317.34	-0.49	-47.05
CCCC(O)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055389	0	41	-1.0	-48.08	336.32	-0.21	-48.29
CCC(O)CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055390	0	41	-1.0	-52.89	339.09	-0.30	-53.19
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC(=O)N1	REAL250005055391	0	36	-1.0	-55.85	311.40	-2.85	-58.70
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(OC)CC1	REAL250005055392	0	39	-1.0	-47.21	329.82	0.37	-46.84
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CSC1	REAL250005055393	0	36	-1.0	-48.80	311.29	1.38	-47.42
C=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055394	0	32	-1.0	-49.65	279.79	0.35	-49.30
CCN(CCNC(=O)C1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005055395	0	36	-1.0	-59.01	309.50	-3.11	-62.12
CCN(CCNC(=O)C1CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005055396	0	38	-1.0	-52.53	317.57	1.78	-50.75
CCN(CCNC(=O)C1=CC=NO1)C(=O)C1=CC(=O)[N-]O1	REAL250005055397	0	34	-1.0	-50.08	298.74	0.16	-49.92
CCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055398	0	35	-1.0	-53.80	290.30	0.63	-53.17
COCCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055399	0	39	-1.0	-52.74	323.98	-0.30	-53.04
CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055400	0	32	-1.0	-53.90	269.73	-0.19	-54.09
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055401	0	36	-1.0	-53.45	300.83	1.40	-52.05
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005055402	0	39	-1.0	-54.57	317.89	1.89	-52.68
O=C(CC1CC1)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055403	0	39	-1.0	-55.03	322.11	2.16	-52.87
CC(C)(F)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055404	0	38	-1.0	-50.36	315.96	1.35	-49.01
COCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055405	0	36	-1.0	-57.01	303.03	-0.01	-57.02
CCCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055406	0	38	-1.0	-53.59	311.80	1.40	-52.19
CC(C)CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055407	0	41	-1.0	-53.15	328.53	1.98	-51.17
CC1CC1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055408	0	39	-1.0	-53.52	322.19	2.07	-51.45
CCOCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055409	0	39	-1.0	-57.05	324.88	0.95	-56.10
CC(C)=CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055410	0	39	-1.0	-52.80	319.80	1.94	-50.86
CSCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055411	0	36	-1.0	-56.01	313.37	1.06	-54.95
CCCCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055412	0	41	-1.0	-53.69	333.30	2.18	-51.51
CC(C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055413	0	38	-1.0	-53.42	309.88	1.30	-52.12
CCC(C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055414	0	41	-1.0	-53.38	328.00	1.94	-51.44
COC(C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055415	0	39	-1.0	-56.78	322.84	0.68	-56.10
C=CCCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055416	0	39	-1.0	-53.56	324.61	1.96	-51.60
CC=C(C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055417	0	39	-1.0	-53.90	318.62	1.92	-51.98
CC1(C(=O)NCC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005055418	0	39	-1.0	-45.50	312.67	3.04	-42.46
C[C@@H]1C[C@H]1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055419	0	39	-1.0	-53.39	322.19	2.06	-51.33
CCC(F)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055420	0	38	-1.0	-54.49	318.08	1.43	-53.06
O=C(CCCF)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055421	0	38	-1.0	-56.52	318.39	1.54	-54.98
C[C@H]1C[C@@H]1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055422	0	39	-1.0	-54.52	323.02	2.06	-52.46
NC(=O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055423	0	33	-1.0	-49.39	285.65	-4.03	-53.42
CC(C)(C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055424	0	41	-1.0	-53.37	328.76	1.85	-51.52
C=CCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055425	0	36	-1.0	-53.90	303.22	1.17	-52.73
C[NH+](C)CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055426	0	41	0.0	-74.65	325.89	1.35	-73.30
CN(C)CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055426	1	40	-1.0	-53.97	323.81	-1.04	-55.01
C=CC(O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055427	0	37	-1.0	-53.65	314.31	-0.95	-54.60
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1COC1	REAL250005055428	0	37	-1.0	-53.60	307.65	-0.87	-54.47
CO[C@H](C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055429	0	39	-1.0	-57.05	323.89	0.71	-56.34
CCC=CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055430	0	39	-1.0	-53.51	324.97	1.99	-51.52
O=C(CO)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055432	0	33	-1.0	-58.80	280.77	-2.29	-61.09
CC(O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055433	0	36	-1.0	-54.60	301.13	-1.51	-56.11
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1F	REAL250005055434	0	36	-1.0	-52.50	307.61	1.49	-51.01
O=C(CCF)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055435	0	35	-1.0	-52.20	296.90	0.77	-51.43
O=C(C=CCF)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055436	0	36	-1.0	-55.95	310.06	1.35	-54.60
C#CCCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055437	0	37	-1.0	-53.27	317.59	1.91	-51.36
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCO1	REAL250005055438	0	37	-1.0	-58.68	308.78	0.26	-58.42
CC(C)(O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055439	0	39	-1.0	-51.49	320.79	-1.95	-53.44
CC1=CC1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055440	0	37	-1.0	-54.33	316.95	2.10	-52.23
C[C@@H](O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055441	0	36	-1.0	-54.85	302.18	-1.50	-56.35
O=C(C=CCO)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055442	0	37	-1.0	-57.35	314.98	-2.13	-59.48
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005055443	0	37	-1.0	-54.39	310.78	1.92	-52.47
CON=CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055444	0	36	-1.0	-55.35	312.77	-0.80	-56.15
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(F)CC1	REAL250005055445	0	36	-1.0	-50.74	307.20	1.45	-49.29
CC=C(F)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055446	0	36	-1.0	-49.66	308.85	1.30	-48.36
CC(CO)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055447	0	39	-1.0	-52.55	320.46	-1.99	-54.54
C[C@H](O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055448	0	36	-1.0	-54.63	301.10	-1.50	-56.13
C=C1CC1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055449	0	37	-1.0	-53.24	314.38	1.97	-51.27
CC(CF)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055450	0	38	-1.0	-51.57	315.67	1.41	-50.16
C=C(C)CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055451	0	39	-1.0	-53.43	324.83	1.83	-51.60
CC=CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055452	0	36	-1.0	-53.70	303.88	1.23	-52.47
C[C@@H]1C[C@H]1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055453	0	39	-1.0	-53.39	322.19	2.06	-51.33
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(O)CC1	REAL250005055454	0	37	-1.0	-52.71	309.14	-1.67	-54.38
O=C(CC1CC1)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055455	0	39	-1.0	-50.50	324.46	2.34	-48.16
CC(C)(F)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055456	0	38	-1.0	-51.40	309.64	2.06	-49.34
COCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055457	0	36	-1.0	-53.61	306.23	0.12	-53.49
CCCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055458	0	38	-1.0	-50.11	315.01	1.54	-48.57
CC(C)CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055459	0	41	-1.0	-49.76	331.73	2.14	-47.62
CC1CC1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055460	0	39	-1.0	-49.53	319.59	2.22	-47.31
CCOCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055461	0	39	-1.0	-53.75	328.08	1.07	-52.68
CC(C)=CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055462	0	39	-1.0	-49.16	322.58	2.04	-47.12
CSCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055463	0	36	-1.0	-52.85	316.57	1.23	-51.62
CCCCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055464	0	41	-1.0	-50.24	336.51	2.32	-47.92
CC(C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055465	0	38	-1.0	-52.91	306.07	2.06	-50.85
CCC(C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055466	0	41	-1.0	-50.27	326.49	1.76	-48.51
COC(C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055467	0	39	-1.0	-54.37	322.09	0.57	-53.80
C=CCCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055468	0	39	-1.0	-49.88	327.82	2.10	-47.78
CC(C#N)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055469	0	36	-1.0	-62.82	306.84	1.58	-61.24
CC=C(C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055470	0	39	-1.0	-53.07	313.83	2.10	-50.97
CCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055471	0	35	-1.0	-50.26	293.51	0.78	-49.48
COCCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055472	0	39	-1.0	-49.41	327.18	-0.15	-49.56
CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055473	0	32	-1.0	-50.75	272.10	-0.11	-50.86
O=C(NCC1CCCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005055474	0	36	-1.0	-50.22	303.65	1.50	-48.72
O=C(NCC1CCCN1C(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005055475	0	39	-1.0	-50.38	319.74	2.04	-48.34
NC(=O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055476	0	33	-1.0	-46.91	285.75	-3.90	-50.81
CC(C)(C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055477	0	41	-1.0	-53.60	318.58	2.16	-51.44
CC1(C(=O)N2CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005055478	0	39	-1.0	-53.34	316.08	2.50	-50.84
C[C@@H]1C[C@H]1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055479	0	39	-1.0	-50.29	324.41	2.17	-48.12
CCC(F)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055480	0	38	-1.0	-51.02	319.53	1.50	-49.52
O=C(CCCF)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055481	0	38	-1.0	-53.03	321.60	1.68	-51.35
C[C@H]1C[C@@H]1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055482	0	39	-1.0	-50.70	324.87	2.16	-48.54
O=C(CO)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055483	0	33	-1.0	-55.29	283.98	-2.16	-57.45
O=C(NCC1CCCN1C(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005055484	0	37	-1.0	-56.03	308.73	0.23	-55.80
O=C(NCC1CCCN1C(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005055485	0	37	-1.0	-50.57	310.33	-0.75	-51.32
O=C(C=CCO)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055486	0	37	-1.0	-53.88	317.01	-2.02	-55.90
CCC=CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055487	0	39	-1.0	-50.25	327.00	2.11	-48.14
C#CCCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055488	0	37	-1.0	-49.90	320.79	2.06	-47.84
C=CC(O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055489	0	37	-1.0	-51.23	312.14	-1.06	-52.29
CC(O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055490	0	36	-1.0	-50.77	299.47	-1.67	-52.44
CC(=O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055491	0	34	-1.0	-46.47	292.71	-0.10	-46.57
O=C(NCC1CCCN1C(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005055492	0	36	-1.0	-47.37	307.29	1.44	-45.93
CC=C(F)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055493	0	36	-1.0	-47.19	308.75	1.31	-45.88
CC(CO)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055494	0	39	-1.0	-49.59	318.95	-2.19	-51.78
O=C(NCC1CCCN1C(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005055495	0	37	-1.0	-53.74	306.98	-0.84	-54.58
O=C(NCC1CCCN1C(=O)C1=CCC1)C1=CC(=O)[N-]O1	REAL250005055496	0	37	-1.0	-51.60	310.04	1.92	-49.68
CC(CF)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055497	0	38	-1.0	-48.52	314.35	1.24	-47.28
CC=CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055498	0	36	-1.0	-50.45	305.91	1.35	-49.10
O=C(C=CCF)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055499	0	36	-1.0	-52.21	312.09	1.46	-50.75
C[C@H](O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055501	0	36	-1.0	-50.70	299.47	-1.66	-52.36
CON=CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055502	0	36	-1.0	-52.48	314.82	-0.74	-53.22
C[C@@H]1C[C@H]1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055503	0	39	-1.0	-50.29	324.41	2.17	-48.12
CC(C)(O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055504	0	39	-1.0	-47.86	319.58	-1.71	-49.57
C=C(C)CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055505	0	39	-1.0	-49.98	328.03	1.97	-48.01
C=CCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055506	0	36	-1.0	-50.23	306.42	1.32	-48.91
C[NH+](C)CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055507	0	41	0.0	-71.07	329.10	1.46	-69.61
CN(C)CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055507	1	40	-1.0	-50.57	327.01	-0.93	-51.50
N#CCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055508	0	33	-1.0	-59.16	292.97	0.46	-58.70
O=C(NCC1CCCN1C(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005055509	0	36	-1.0	-48.02	309.84	1.59	-46.43
O=C(CCF)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055510	0	35	-1.0	-48.82	300.10	0.92	-47.90
CO[C@H](C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055511	0	39	-1.0	-57.24	317.64	1.39	-55.85
C[C@@H](O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055512	0	36	-1.0	-53.87	295.53	-0.82	-54.69
C=C1CC1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055513	0	37	-1.0	-50.17	316.64	2.07	-48.10
CC1=CC1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055514	0	37	-1.0	-50.56	317.91	2.22	-48.34
C=CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055515	0	33	-1.0	-50.50	284.19	0.47	-50.03
CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055516	0	35	-1.0	-48.50	294.62	0.47	-48.03
COCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055517	0	39	-1.0	-48.57	328.30	-0.46	-49.03
CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055518	0	32	-1.0	-48.70	274.04	-0.34	-49.04
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005055519	0	36	-1.0	-48.20	304.95	1.30	-46.90
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005055520	0	39	-1.0	-47.96	321.31	1.76	-46.20
O=C(CC1CC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055521	0	39	-1.0	-48.50	325.52	2.03	-46.47
CC(C)(F)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055522	0	38	-1.0	-47.00	321.46	1.13	-45.87
COCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055523	0	36	-1.0	-51.41	307.35	-0.17	-51.58
CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055524	0	38	-1.0	-48.34	316.12	1.23	-47.11
CC(C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055525	0	41	-1.0	-47.83	332.85	1.82	-46.01
CC1CC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055526	0	39	-1.0	-48.22	326.52	1.91	-46.31
CCOCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055527	0	39	-1.0	-51.44	329.20	0.79	-50.65
CC(C)=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055528	0	39	-1.0	-47.79	324.11	1.78	-46.01
CSCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055529	0	36	-1.0	-50.59	317.69	0.89	-49.70
CCCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055530	0	41	-1.0	-48.29	337.62	2.01	-46.28
CC(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055531	0	38	-1.0	-48.07	314.19	1.14	-46.93
CCC(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055532	0	41	-1.0	-47.93	332.31	1.79	-46.14
COC(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055533	0	39	-1.0	-51.08	327.14	0.53	-50.55
C=CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055534	0	39	-1.0	-48.27	328.93	1.79	-46.48
CC=C(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055535	0	39	-1.0	-48.47	322.95	1.76	-46.71
CC1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005055536	0	39	-1.0	-47.91	322.70	1.89	-46.02
C[C@@H]1C[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055537	0	39	-1.0	-48.15	326.48	1.93	-46.22
CCC(F)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055538	0	38	-1.0	-48.73	322.41	1.27	-47.46
O=C(CCCF)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055539	0	38	-1.0	-50.74	322.71	1.37	-49.37
C[C@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055540	0	39	-1.0	-48.05	326.34	1.96	-46.09
NC(=O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055541	0	33	-1.0	-49.23	289.98	-4.20	-53.43
CC(C)(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055542	0	41	-1.0	-47.84	333.07	1.70	-46.14
C=CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055543	0	36	-1.0	-48.66	307.54	1.01	-47.65
C[NH+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055544	0	41	0.0	-71.60	330.21	1.18	-70.42
CN(C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055544	1	40	-1.0	-48.78	328.13	-1.21	-49.99
C=CC(O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055545	0	37	-1.0	-48.69	315.99	-0.94	-49.63
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005055546	0	37	-1.0	-49.08	311.98	-1.03	-50.11
CO[C@H](C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055547	0	39	-1.0	-51.00	327.09	0.57	-50.43
CCC=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055548	0	39	-1.0	-48.34	329.30	1.84	-46.50
O=C(CO)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055550	0	33	-1.0	-52.92	285.09	-2.45	-55.37
CC(O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055551	0	36	-1.0	-52.32	305.77	-1.69	-54.01
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005055552	0	36	-1.0	-48.32	311.94	1.33	-46.99
O=C(CCF)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055553	0	35	-1.0	-48.16	301.22	0.61	-47.55
O=C(C=CCF)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055554	0	36	-1.0	-50.44	314.39	1.19	-49.25
C#CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055555	0	37	-1.0	-48.73	321.91	1.75	-46.98
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005055556	0	37	-1.0	-51.88	313.34	0.07	-51.81
CC(C)(O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055557	0	39	-1.0	-52.12	324.16	-0.97	-53.09
CC1=CC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055558	0	37	-1.0	-49.05	320.15	1.95	-47.10
C[C@@H](O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055559	0	36	-1.0	-49.43	305.38	-1.65	-51.08
O=C(C=CCO)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055560	0	37	-1.0	-51.64	319.31	-2.28	-53.92
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005055561	0	37	-1.0	-48.98	315.10	1.75	-47.23
CON=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055562	0	36	-1.0	-51.47	317.10	-0.95	-52.42
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005055563	0	36	-1.0	-47.59	311.35	1.33	-46.26
CC=C(F)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055564	0	36	-1.0	-47.11	313.18	1.15	-45.96
CC(CO)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055565	0	39	-1.0	-48.57	324.76	-2.15	-50.72
C[C@H](O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055566	0	36	-1.0	-49.41	305.37	-1.64	-51.05
C=C1CC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055567	0	37	-1.0	-48.52	318.71	1.81	-46.71
CC(CF)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055568	0	38	-1.0	-47.52	319.98	1.26	-46.26
C=C(C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055569	0	39	-1.0	-48.40	329.15	1.66	-46.74
CC=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055570	0	36	-1.0	-48.55	308.21	1.08	-47.47
C[C@@H]1C[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055571	0	39	-1.0	-48.15	326.48	1.93	-46.22
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005055572	0	37	-1.0	-48.60	313.29	-1.78	-50.38
O=C(CC1CC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055573	0	39	-1.0	-48.01	328.45	2.20	-45.81
CC(C)(F)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055574	0	38	-1.0	-46.35	316.18	1.04	-45.31
COCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055575	0	36	-1.0	-54.63	310.20	0.05	-54.58
CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055576	0	38	-1.0	-47.68	318.99	1.44	-46.24
CC(C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055577	0	41	-1.0	-47.21	335.72	2.02	-45.19
CC1CC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055578	0	39	-1.0	-47.18	323.32	2.09	-45.09
CCOCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055579	0	39	-1.0	-54.69	332.06	1.01	-53.68
CC(C)=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055580	0	39	-1.0	-50.26	326.05	1.89	-48.37
CSCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055581	0	36	-1.0	-53.67	320.54	1.10	-52.57
CCCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055582	0	41	-1.0	-47.74	340.53	2.18	-45.56
CC(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055583	0	38	-1.0	-47.72	316.48	1.14	-46.58
CCC(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055584	0	41	-1.0	-47.57	335.57	1.78	-45.79
COC(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055585	0	39	-1.0	-50.95	325.29	0.50	-50.45
C=CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055586	0	39	-1.0	-47.49	331.68	2.01	-45.48
CC(C#N)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055587	0	36	-1.0	-53.75	315.82	0.79	-52.96
CC=C(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055588	0	39	-1.0	-51.27	330.47	1.79	-49.48
CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055589	0	35	-1.0	-47.89	297.49	0.67	-47.22
COCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055590	0	39	-1.0	-47.39	331.04	-0.25	-47.64
CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055591	0	32	-1.0	-51.40	275.82	-0.20	-51.60
O=C(NCC1CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005055592	0	36	-1.0	-47.88	307.40	1.37	-46.51
O=C(NCC1CCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005055593	0	39	-1.0	-47.69	323.98	1.94	-45.75
NC(=O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055594	0	33	-1.0	-47.84	289.64	-4.05	-51.89
CC(C)(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055595	0	41	-1.0	-47.91	325.56	1.29	-46.62
CC1(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005055596	0	39	-1.0	-48.02	325.58	1.72	-46.30
C[C@@H]1C[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055597	0	39	-1.0	-47.80	328.78	2.04	-45.76
CCC(F)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055598	0	38	-1.0	-48.25	323.88	1.39	-46.86
O=C(CCCF)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055599	0	38	-1.0	-50.37	325.63	1.53	-48.84
C[C@H]1C[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055600	0	39	-1.0	-47.72	328.71	2.08	-45.64
O=C(CO)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055601	0	33	-1.0	-56.33	287.95	-2.23	-58.56
O=C(NCC1CCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005055602	0	37	-1.0	-52.53	313.31	0.18	-52.35
O=C(NCC1CCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005055603	0	37	-1.0	-48.26	314.73	-0.85	-49.11
O=C(C=CCO)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055604	0	37	-1.0	-54.91	321.27	-2.14	-57.05
CCC=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055605	0	39	-1.0	-51.25	331.26	2.00	-49.25
C#CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055606	0	37	-1.0	-47.66	324.65	1.95	-45.71
C=CC(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055607	0	37	-1.0	-48.34	316.30	-1.12	-49.46
CC(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055608	0	36	-1.0	-52.36	303.92	-1.70	-54.06
CC(=O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055609	0	34	-1.0	-47.43	296.20	-0.27	-47.70
O=C(NCC1CCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005055610	0	36	-1.0	-46.01	311.06	1.35	-44.66
CC=C(F)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055611	0	36	-1.0	-48.08	312.66	1.18	-46.90
CC(CO)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055612	0	39	-1.0	-47.62	328.09	-2.16	-49.78
O=C(NCC1CCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005055613	0	37	-1.0	-46.61	318.82	-2.01	-48.62
O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005055614	0	37	-1.0	-49.09	313.91	1.74	-47.35
CC(CF)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055615	0	38	-1.0	-46.48	322.78	1.30	-45.18
CC=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055616	0	36	-1.0	-51.52	310.17	1.24	-50.28
O=C(C=CCF)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055617	0	36	-1.0	-53.36	316.35	1.34	-52.02
C[C@H](O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055619	0	36	-1.0	-48.74	303.30	-1.69	-50.43
CON=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055620	0	36	-1.0	-53.30	319.07	-0.82	-54.12
C[C@@H]1C[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055621	0	39	-1.0	-47.80	328.78	2.04	-45.76
CC(C)(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055622	0	39	-1.0	-46.56	322.28	-1.83	-48.39
C=C(C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055623	0	39	-1.0	-47.68	332.02	1.87	-45.81
C=CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055624	0	36	-1.0	-48.05	310.45	1.18	-46.87
C[NH+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055625	0	41	0.0	-70.75	333.08	1.36	-69.39
CN(C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055625	1	40	-1.0	-48.16	331.00	-1.03	-49.19
N#CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055626	0	33	-1.0	-59.85	296.94	0.34	-59.51
O=C(NCC1CCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005055627	0	36	-1.0	-46.40	314.32	1.45	-44.95
O=C(CCF)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055628	0	35	-1.0	-46.85	303.96	0.82	-46.03
CO[C@H](C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055629	0	39	-1.0	-50.81	325.18	0.54	-50.27
C[C@@H](O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055630	0	36	-1.0	-48.57	303.29	-1.68	-50.25
C=C1CC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055631	0	37	-1.0	-47.89	320.94	1.97	-45.92
CC1=CC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055632	0	37	-1.0	-48.61	322.49	2.12	-46.49
C=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055633	0	33	-1.0	-51.49	288.59	0.34	-51.15
CCCN(CCNC(=O)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055634	0	37	-1.0	-52.15	309.13	1.26	-50.89
CCCN(CCNC(=O)CCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005055635	0	41	-1.0	-51.46	342.81	0.33	-51.13
CCCN(CCNC(C)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005055636	0	34	-1.0	-52.34	288.83	0.45	-51.89
CCCN(CCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055637	0	38	-1.0	-51.77	319.61	2.04	-49.73
CCCN(CCNC(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055638	0	41	-1.0	-52.23	333.42	2.42	-49.81
CCCN(CCNC(=O)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055639	0	41	-1.0	-52.62	337.69	2.70	-49.92
CCCN(CCNC(=O)COC)C(=O)C1=CC(=O)[N-]O1	REAL250005055640	0	38	-1.0	-55.27	321.86	0.62	-54.65
CCCC(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055641	0	40	-1.0	-52.03	330.64	2.02	-50.01
CCCN(CCNC(=O)CC(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055642	0	43	-1.0	-51.67	347.36	2.61	-49.06
CCCN(CCNC(=O)C1CC1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055643	0	41	-1.0	-52.31	341.03	2.70	-49.61
CCCN(CCNC(=O)COCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055644	0	41	-1.0	-55.35	343.71	1.58	-53.77
CCCN(CCNC(=O)C=C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055645	0	41	-1.0	-51.74	338.36	2.56	-49.18
CCCCC(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055646	0	43	-1.0	-52.11	352.13	2.81	-49.30
CCCN(CCNC(=O)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055647	0	40	-1.0	-52.14	328.68	1.93	-50.21
CCCN(CCNC(=O)C(C)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055648	0	43	-1.0	-52.08	346.81	2.58	-49.50
CCCN(CCNC(=O)C(C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005055649	0	41	-1.0	-55.49	341.64	1.33	-54.16
C=CCCC(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055650	0	41	-1.0	-52.12	343.45	2.59	-49.53
CC=C(C)C(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055651	0	41	-1.0	-52.70	337.45	2.54	-50.16
CCCN(CCNC(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055652	0	41	-1.0	-52.43	334.96	2.53	-49.90
CCCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055653	0	41	-1.0	-52.11	341.07	2.70	-49.41
CCCN(CCNC(=O)[C@H]1C[C@@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055654	0	41	-1.0	-52.65	338.59	2.59	-50.06
CCCN(CCNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005055655	0	35	-1.0	-49.86	304.48	-3.41	-53.27
CCCN(CCNC(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055656	0	43	-1.0	-52.17	347.57	2.49	-49.68
C=CCC(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055657	0	38	-1.0	-52.47	322.05	1.80	-50.67
CCCN(CCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055658	0	43	0.0	-67.10	344.72	1.97	-65.13
CCCN(CCNC(=O)CN(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055658	1	42	-1.0	-52.45	342.63	-0.41	-52.86
C=CC(O)C(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055659	0	39	-1.0	-52.74	333.14	-0.33	-53.07
CCCN(CCNC(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055660	0	39	-1.0	-51.75	326.49	-0.24	-51.99
CCCN(CCNC(=O)[C@@H](C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005055661	0	41	-1.0	-55.83	339.19	1.22	-54.61
CCC=CC(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055662	0	41	-1.0	-52.28	343.80	2.63	-49.65
CCCN(CCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005055664	0	35	-1.0	-56.86	299.60	-1.66	-58.52
CCCN(CCNC(=O)C(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055665	0	38	-1.0	-51.65	319.93	-0.87	-52.52
CCCN(CCNC(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005055666	0	38	-1.0	-54.71	325.86	2.10	-52.61
CCCN(CCNC(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005055667	0	37	-1.0	-50.66	315.72	1.40	-49.26
CCCN(CCNC(=O)C=CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005055668	0	38	-1.0	-54.56	328.89	1.98	-52.58
C#CCCC(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055669	0	39	-1.0	-51.90	336.42	2.54	-49.36
CCCN(CCNC(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005055670	0	39	-1.0	-56.09	327.99	0.81	-55.28
CCCN(CCNC(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055671	0	41	-1.0	-49.36	339.61	-1.31	-50.67
CCCN(CCNC(=O)C1C=C1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055672	0	39	-1.0	-53.53	332.26	2.62	-50.91
CCCN(CCNC(=O)[C@@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055673	0	38	-1.0	-51.99	317.48	-0.97	-52.96
CCCN(CCNC(=O)C=CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005055674	0	39	-1.0	-56.10	333.81	-1.49	-57.59
CCCN(CCNC(=O)C1=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055675	0	39	-1.0	-53.25	330.14	2.61	-50.64
CCCN(CCNC(=O)C=NOC)C(=O)C1=CC(=O)[N-]O1	REAL250005055676	0	38	-1.0	-54.13	331.60	-0.17	-54.30
CCCN(CCNC(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055677	0	38	-1.0	-51.10	323.40	1.98	-49.12
CC=C(F)C(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055678	0	38	-1.0	-49.45	327.68	1.93	-47.52
CCCN(CCNC(=O)C(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005055679	0	41	-1.0	-51.55	339.27	-1.36	-52.91
CCCN(CCNC(=O)[C@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005055680	0	38	-1.0	-53.76	317.55	-0.98	-54.74
C=C1CC1C(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055681	0	39	-1.0	-52.15	333.23	2.60	-49.55
C=C(C)CC(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055682	0	41	-1.0	-51.86	343.66	2.46	-49.40
CC=CC(=O)NCCN(CCC)C(=O)C1=CC(=O)[N-]O1	REAL250005055683	0	38	-1.0	-52.39	322.71	1.87	-50.52
CCCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005055684	0	41	-1.0	-52.11	341.07	2.70	-49.41
CCCN(CCNC(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055685	0	39	-1.0	-52.53	325.52	-1.15	-53.68
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005055686	0	41	-1.0	-49.41	339.36	2.85	-46.56
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC	REAL250005055687	0	38	-1.0	-52.38	321.16	0.70	-51.68
CCCC(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055688	0	40	-1.0	-49.03	329.92	2.08	-46.95
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)C	REAL250005055689	0	43	-1.0	-48.63	346.66	2.67	-45.96
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1C	REAL250005055690	0	41	-1.0	-49.20	341.36	2.78	-46.42
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COCC	REAL250005055691	0	41	-1.0	-52.45	343.01	1.66	-50.79
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C(C)C	REAL250005055692	0	41	-1.0	-48.49	338.88	2.67	-45.82
CCCCC(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055693	0	43	-1.0	-49.12	351.42	2.86	-46.26
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C	REAL250005055694	0	40	-1.0	-49.17	325.24	1.76	-47.41
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)CC	REAL250005055695	0	43	-1.0	-46.58	344.92	2.41	-44.17
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)OC	REAL250005055696	0	41	-1.0	-52.51	337.87	1.24	-51.27
C=CCCC(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055697	0	41	-1.0	-49.03	342.73	2.64	-46.39
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C#N	REAL250005055698	0	38	-1.0	-56.20	324.67	1.37	-54.83
CC=C(C)C(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055699	0	41	-1.0	-49.34	340.40	2.37	-46.97
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC	REAL250005055700	0	37	-1.0	-49.17	308.43	1.31	-47.86
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCOC	REAL250005055701	0	41	-1.0	-48.50	342.11	0.38	-48.12
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(C)=O	REAL250005055702	0	34	-1.0	-47.59	288.88	0.52	-47.07
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005055703	0	38	-1.0	-48.48	323.22	2.18	-46.30
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1	REAL250005055704	0	41	-1.0	-48.97	333.54	2.51	-46.46
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005055705	0	35	-1.0	-46.95	302.13	-3.28	-50.23
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C	REAL250005055706	0	43	-1.0	-46.18	338.88	2.06	-44.12
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1	REAL250005055707	0	41	-1.0	-46.61	331.78	2.28	-44.33
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C	REAL250005055708	0	41	-1.0	-48.58	345.39	2.91	-45.67
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@@H]1C	REAL250005055709	0	41	-1.0	-48.53	345.40	2.91	-45.62
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005055710	0	35	-1.0	-53.93	298.90	-1.58	-55.51
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCO1	REAL250005055711	0	39	-1.0	-50.01	326.39	0.79	-49.22
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC1	REAL250005055712	0	39	-1.0	-49.24	324.45	-0.23	-49.47
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005055713	0	39	-1.0	-52.93	334.13	-1.38	-54.31
CCC=CC(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055714	0	41	-1.0	-49.18	344.10	2.74	-46.44
C#CCCC(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055715	0	39	-1.0	-48.90	335.70	2.59	-46.31
C=CC(O)C(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055716	0	39	-1.0	-49.80	327.98	-0.44	-50.24
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)O	REAL250005055717	0	38	-1.0	-51.05	315.98	-1.05	-52.10
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)=O	REAL250005055718	0	36	-1.0	-45.82	309.14	0.51	-45.31
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC1	REAL250005055719	0	38	-1.0	-45.82	324.90	2.11	-43.71
CC=C(F)C(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055720	0	38	-1.0	-45.58	325.04	1.85	-43.73
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)CO	REAL250005055721	0	41	-1.0	-47.49	337.20	-1.55	-49.04
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CC1	REAL250005055722	0	39	-1.0	-47.76	327.21	-0.82	-48.58
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005055723	0	39	-1.0	-50.48	323.18	2.38	-48.10
CC=CC(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055724	0	38	-1.0	-49.35	323.01	1.98	-47.37
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005055725	0	38	-1.0	-51.47	329.21	2.10	-49.37
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)O	REAL250005055727	0	38	-1.0	-47.74	319.72	-0.90	-48.64
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=NOC	REAL250005055728	0	38	-1.0	-51.41	331.92	-0.08	-51.49
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C	REAL250005055729	0	41	-1.0	-48.58	345.39	2.91	-45.67
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)O	REAL250005055730	0	41	-1.0	-46.84	330.17	-0.80	-47.64
C=C(C)CC(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055731	0	41	-1.0	-48.87	342.98	2.51	-46.36
C=CCC(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055732	0	38	-1.0	-49.36	321.33	1.85	-47.51
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005055733	0	43	0.0	-71.09	344.02	1.99	-69.10
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN(C)C	REAL250005055733	1	42	-1.0	-49.58	341.94	-0.40	-49.98
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005055734	0	35	-1.0	-57.62	307.90	0.99	-56.63
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1F	REAL250005055735	0	38	-1.0	-47.05	325.98	2.13	-44.92
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005055736	0	37	-1.0	-48.01	315.02	1.45	-46.56
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)OC	REAL250005055737	0	41	-1.0	-49.52	337.72	1.20	-48.32
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)O	REAL250005055738	0	38	-1.0	-48.39	319.33	-0.88	-49.27
C=C1CC1C(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055739	0	39	-1.0	-49.04	332.66	2.66	-46.38
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C=C1C	REAL250005055740	0	39	-1.0	-49.08	339.10	2.94	-46.14
C=CC(=O)N(CCC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055741	0	35	-1.0	-49.38	301.29	1.11	-48.27
CCC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055742	0	35	-1.0	-52.81	291.20	1.11	-51.70
COCCC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055743	0	39	-1.0	-52.05	324.87	0.18	-51.87
CC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055744	0	32	-1.0	-52.93	270.91	0.29	-52.64
O=C(NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1)C1CC1	REAL250005055745	0	36	-1.0	-52.70	301.80	1.88	-50.82
O=C(NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1)C1CCC1	REAL250005055746	0	39	-1.0	-52.58	317.84	2.37	-50.21
O=C(CC1CC1)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055747	0	39	-1.0	-52.85	322.22	2.62	-50.23
CC(C)(F)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055748	0	38	-1.0	-53.15	316.87	1.83	-51.32
COCC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055749	0	36	-1.0	-55.89	303.92	0.47	-55.42
CCCC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055750	0	38	-1.0	-52.63	312.70	1.87	-50.76
CC(C)CC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055751	0	41	-1.0	-52.25	329.42	2.46	-49.79
CC1CC1C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055752	0	39	-1.0	-52.92	323.09	2.55	-50.37
CCOCC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055753	0	39	-1.0	-55.96	325.77	1.43	-54.53
CC(C)=CC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055754	0	39	-1.0	-52.26	320.64	2.43	-49.83
CSCC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055755	0	36	-1.0	-54.88	314.26	1.53	-53.35
CCCCC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055756	0	41	-1.0	-52.68	334.19	2.65	-50.03
CC(C)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055757	0	38	-1.0	-52.45	310.75	1.78	-50.67
CCC(C)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055758	0	41	-1.0	-52.53	328.87	2.43	-50.10
COC(C)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055759	0	39	-1.0	-56.05	323.70	1.17	-54.88
C=CCCC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055760	0	39	-1.0	-52.82	325.51	2.43	-50.39
CC=C(C)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055761	0	39	-1.0	-53.30	319.51	2.39	-50.91
CC1(C(=O)NCCN(C(=O)C2=CC(=O)[N-]O2)C2CC2)CC1	REAL250005055762	0	39	-1.0	-52.69	319.47	2.48	-50.21
C[C@@H]1C[C@H]1C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055763	0	39	-1.0	-52.79	322.28	2.50	-50.29
CCC(F)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055764	0	38	-1.0	-51.20	318.97	1.91	-49.29
O=C(CCCF)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055765	0	38	-1.0	-55.09	319.29	2.01	-53.08
C[C@H]1C[C@@H]1C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055766	0	39	-1.0	-52.53	322.34	2.50	-50.03
NC(=O)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055767	0	33	-1.0	-50.24	286.54	-3.57	-53.81
CC(C)(C)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055768	0	41	-1.0	-52.70	329.63	2.34	-50.36
C=CCC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055769	0	36	-1.0	-53.09	304.11	1.65	-51.44
C[NH+](C)CC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055770	0	41	0.0	-67.51	326.78	1.82	-65.69
CN(C)CC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055770	1	40	-1.0	-53.34	324.70	-0.56	-53.90
C=CC(O)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055771	0	37	-1.0	-53.33	315.20	-0.48	-53.81
O=C(NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1)C1COC1	REAL250005055772	0	37	-1.0	-52.37	308.55	-0.39	-52.76
CO[C@H](C)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055773	0	39	-1.0	-56.11	323.79	1.14	-54.97
CCC=CC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055774	0	39	-1.0	-52.97	325.86	2.48	-50.49
O=C(CO)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055776	0	33	-1.0	-57.54	281.67	-1.81	-59.35
CC(O)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055777	0	36	-1.0	-54.04	302.00	-1.02	-55.06
O=C(NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1)C1CC1F	REAL250005055778	0	36	-1.0	-50.51	308.51	1.97	-48.54
O=C(CCF)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055779	0	35	-1.0	-51.31	297.79	1.25	-50.06
O=C(C=CCF)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055780	0	36	-1.0	-55.18	310.95	1.83	-53.35
C#CCCC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055781	0	37	-1.0	-52.47	318.48	2.39	-50.08
O=C(NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1)C1CCO1	REAL250005055782	0	37	-1.0	-57.04	310.09	0.65	-56.39
CC(C)(O)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055783	0	39	-1.0	-57.41	320.74	-0.33	-57.74
CC1=CC1C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055784	0	37	-1.0	-53.18	316.64	2.58	-50.60
C[C@@H](O)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055785	0	36	-1.0	-57.24	302.42	-1.08	-58.32
O=C(C=CCO)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055786	0	37	-1.0	-56.74	315.87	-1.65	-58.39
O=C(NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1)C1=CCC1	REAL250005055787	0	37	-1.0	-53.80	312.28	2.45	-51.35
CON=CC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055788	0	36	-1.0	-54.70	313.66	-0.32	-55.02
O=C(NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1)C1(F)CC1	REAL250005055789	0	36	-1.0	-51.42	307.90	1.93	-49.49
CC=C(F)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055790	0	36	-1.0	-49.96	309.74	1.78	-48.18
CC(CO)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055791	0	39	-1.0	-52.35	321.33	-1.51	-53.86
C[C@H](O)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055792	0	36	-1.0	-57.14	302.41	-1.08	-58.22
C=C1CC1C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055793	0	37	-1.0	-52.76	315.29	2.45	-50.31
CC(CF)C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055794	0	38	-1.0	-50.94	316.72	1.92	-49.02
C=C(C)CC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055795	0	39	-1.0	-52.43	325.83	2.29	-50.14
CC=CC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055796	0	36	-1.0	-53.04	304.77	1.72	-51.32
C[C@@H]1C[C@H]1C(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055797	0	39	-1.0	-52.79	322.28	2.50	-50.29
O=C(NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1)C1(O)CC1	REAL250005055798	0	37	-1.0	-52.77	310.10	-1.21	-53.98
O=C(CC1CC1)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055799	0	39	-1.0	-46.39	324.89	2.66	-43.73
CC(C)(F)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055800	0	38	-1.0	-45.60	312.55	1.60	-44.00
COCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055801	0	36	-1.0	-48.99	306.54	0.47	-48.52
CCCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055802	0	38	-1.0	-45.95	315.25	1.99	-43.96
CC(C)CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055803	0	41	-1.0	-46.08	333.35	2.64	-43.44
CC1CC1C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055804	0	39	-1.0	-47.90	324.25	2.58	-45.32
CCOCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055805	0	39	-1.0	-48.85	328.39	1.43	-47.42
CC(C)=CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055806	0	39	-1.0	-48.40	323.24	2.30	-46.10
CSCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055807	0	36	-1.0	-47.90	316.83	1.69	-46.21
CCCCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055808	0	41	-1.0	-45.91	336.75	2.77	-43.14
CC(C)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055809	0	38	-1.0	-45.69	309.18	1.65	-44.04
CCC(C)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055810	0	41	-1.0	-45.52	328.13	2.30	-43.22
COC(C)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055811	0	39	-1.0	-48.51	321.13	0.77	-47.74
C=CCCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055812	0	39	-1.0	-46.08	328.06	2.55	-43.53
CC(C#N)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055813	0	36	-1.0	-52.01	310.30	1.28	-50.73
CC=C(C)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055814	0	39	-1.0	-46.13	319.72	2.11	-44.02
CCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055815	0	35	-1.0	-49.24	294.91	1.05	-48.19
COCCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055816	0	39	-1.0	-46.62	327.42	0.30	-46.32
CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055817	0	32	-1.0	-49.27	272.75	0.21	-49.06
O=C(NCCN(C(=O)C1CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005055818	0	36	-1.0	-46.66	306.01	2.01	-44.65
O=C(NCCN(C(=O)C1CCC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005055819	0	39	-1.0	-45.93	320.64	2.43	-43.50
NC(=O)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055820	0	33	-1.0	-46.77	286.53	-3.35	-50.12
CC(C)(C)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055821	0	41	-1.0	-46.02	319.98	1.83	-44.19
CC1(C(=O)N(CCNC(=O)C2=CC(=O)[N-]O2)C2CC2)CC1	REAL250005055822	0	39	-1.0	-48.84	325.65	2.11	-46.73
C[C@@H]1C[C@H]1C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055823	0	39	-1.0	-48.99	324.68	2.42	-46.57
CCC(F)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055824	0	38	-1.0	-50.02	321.07	1.82	-48.20
O=C(CCCF)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055825	0	38	-1.0	-48.04	321.84	2.13	-45.91
C[C@H]1C[C@@H]1C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055826	0	39	-1.0	-48.90	325.31	2.42	-46.48
O=C(CO)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055827	0	33	-1.0	-50.48	284.28	-1.81	-52.29
O=C(NCCN(C(=O)C1CCO1)C1CC1)C1=CC(=O)[N-]O1	REAL250005055828	0	37	-1.0	-50.08	310.85	0.70	-49.38
O=C(NCCN(C(=O)C1COC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005055829	0	37	-1.0	-47.02	310.61	-0.35	-47.37
O=C(C=CCO)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055830	0	37	-1.0	-49.28	319.92	-1.46	-50.74
CCC=CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055831	0	39	-1.0	-46.62	329.91	2.66	-43.96
C#CCCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055832	0	37	-1.0	-46.48	321.03	2.51	-43.97
C=CC(O)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055833	0	37	-1.0	-46.26	308.48	-0.71	-46.97
CC(O)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055834	0	36	-1.0	-46.38	299.38	-1.42	-47.80
CC(=O)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055835	0	34	-1.0	-45.66	293.91	0.46	-45.20
O=C(NCCN(C(=O)C1(F)CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005055836	0	36	-1.0	-45.94	314.26	1.88	-44.06
CC=C(F)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055837	0	36	-1.0	-46.17	310.35	1.62	-44.55
CC(CO)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055838	0	39	-1.0	-46.78	320.27	-1.64	-48.42
O=C(NCCN(C(=O)C1(O)CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005055839	0	37	-1.0	-48.80	313.56	-1.24	-50.04
O=C(NCCN(C(=O)C1=CCC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005055840	0	37	-1.0	-46.64	308.66	2.20	-44.44
CC(CF)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055841	0	38	-1.0	-45.71	315.67	1.77	-43.94
CC=CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055842	0	36	-1.0	-49.37	307.31	1.63	-47.74
O=C(C=CCF)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055843	0	36	-1.0	-48.06	315.00	2.02	-46.04
C[C@H](O)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055845	0	36	-1.0	-46.99	298.87	-1.30	-48.29
CON=CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055846	0	36	-1.0	-51.15	316.19	-0.43	-51.58
C[C@@H]1C[C@H]1C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055847	0	39	-1.0	-48.99	324.68	2.42	-46.57
CC(C)(O)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055848	0	39	-1.0	-44.82	317.53	-1.47	-46.29
C=C(C)CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055849	0	39	-1.0	-46.12	328.07	2.42	-43.70
C=CCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055850	0	36	-1.0	-46.51	306.70	1.77	-44.74
C[NH+](C)CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055851	0	41	0.0	-67.48	330.71	1.97	-65.51
CN(C)CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055851	1	40	-1.0	-46.46	327.50	-0.49	-46.95
N#CCC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055852	0	33	-1.0	-53.99	293.20	0.91	-53.08
O=C(NCCN(C(=O)C1CC1F)C1CC1)C1=CC(=O)[N-]O1	REAL250005055853	0	36	-1.0	-48.72	310.22	2.07	-46.65
O=C(CCF)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055854	0	35	-1.0	-46.10	300.34	1.37	-44.73
CO[C@H](C)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055855	0	39	-1.0	-49.27	322.54	0.98	-48.29
C[C@@H](O)C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055856	0	36	-1.0	-50.78	304.00	-1.19	-51.97
C=C1CC1C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055857	0	37	-1.0	-46.98	319.40	2.63	-44.35
CC1=CC1C(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055858	0	37	-1.0	-48.69	325.60	2.67	-46.02
C=CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055859	0	33	-1.0	-47.18	287.09	1.04	-46.14
COCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055860	0	35	-1.0	-48.97	304.40	-1.17	-50.14
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005055861	0	32	-1.0	-49.45	281.43	0.50	-48.95
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1	REAL250005055862	0	35	-1.0	-49.28	297.27	1.02	-48.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC1	REAL250005055863	0	38	-1.0	-49.81	312.73	1.53	-48.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCOCC1	REAL250005055864	0	39	-1.0	-50.96	319.97	-0.31	-51.27
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005055865	0	35	-1.0	-49.72	301.66	1.30	-48.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)F	REAL250005055866	0	34	-1.0	-48.38	291.01	0.19	-48.19
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(F)F	REAL250005055867	0	31	-1.0	-46.16	280.25	-0.18	-46.34
COCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055868	0	32	-1.0	-52.96	283.44	-0.86	-53.82
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC=N1	REAL250005055869	0	34	-1.0	-50.06	300.69	0.98	-49.08
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NC=C1	REAL250005055870	0	34	-1.0	-51.47	297.57	-0.09	-51.56
CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055871	0	34	-1.0	-49.40	292.22	0.52	-48.88
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN=C1	REAL250005055872	0	34	-1.0	-50.12	299.12	-0.18	-50.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CO1	REAL250005055873	0	32	-1.0	-50.01	287.87	0.15	-49.86
CC(=O)NCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055874	0	35	-1.0	-50.41	309.40	-2.62	-53.03
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC=C1	REAL250005055875	0	35	-1.0	-50.47	304.51	1.71	-48.76
CC(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055876	0	37	-1.0	-49.04	308.95	1.12	-47.92
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCCC1	REAL250005055877	0	41	-1.0	-49.38	329.02	2.08	-47.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CC=N1	REAL250005055878	0	33	-1.0	-50.78	295.85	-0.94	-51.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC1	REAL250005055879	0	41	-1.0	-49.49	333.92	2.37	-47.12
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CS1	REAL250005055880	0	32	-1.0	-50.50	293.79	0.59	-49.91
CC1CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055881	0	35	-1.0	-49.44	302.08	1.17	-48.27
CCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055882	0	35	-1.0	-53.05	305.30	0.10	-52.95
CC(C)=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055883	0	35	-1.0	-48.80	299.37	1.04	-47.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCCO1	REAL250005055884	0	35	-1.0	-49.23	302.80	-0.99	-50.22
CC(=O)NC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055885	0	38	-1.0	-50.70	325.07	-1.97	-52.67
CC1=CC=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005055886	0	35	-1.0	-49.64	310.33	0.96	-48.68
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCO1	REAL250005055887	0	36	-1.0	-53.70	303.94	0.18	-53.52
CSCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055888	0	32	-1.0	-52.18	293.79	0.20	-51.98
CC1=CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005055889	0	34	-1.0	-49.37	304.03	0.43	-48.94
CSCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055890	0	35	-1.0	-48.46	315.46	0.99	-47.47
CC(C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055891	0	40	-1.0	-49.50	331.29	1.81	-47.69
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CSC=C1	REAL250005055892	0	32	-1.0	-50.20	294.14	0.63	-49.57
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005055893	0	35	-1.0	-50.30	305.11	0.57	-49.73
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1C=CCC1	REAL250005055894	0	39	-1.0	-50.03	326.36	2.30	-47.73
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=NN=N1	REAL250005055895	0	33	-1.0	-64.04	299.80	-0.74	-64.78
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C)N=C1	REAL250005055896	0	35	-1.0	-52.17	305.91	-0.59	-52.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC=CCC1	REAL250005055897	0	39	-1.0	-48.77	320.99	2.01	-46.76
CC1=NOC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005055898	0	34	-1.0	-48.14	304.09	-0.02	-48.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN1	REAL250005055899	0	33	-1.0	-52.85	288.94	0.12	-52.73
CC(=O)CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055900	0	39	-1.0	-58.76	336.92	1.22	-57.54
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=C1	REAL250005055901	0	32	-1.0	-53.81	284.99	-0.23	-54.04
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CC=N1	REAL250005055902	0	35	-1.0	-57.08	311.23	0.14	-56.94
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005055903	0	35	-1.0	-49.91	306.25	0.81	-49.10
CCCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055904	0	40	-1.0	-49.49	335.22	2.08	-47.41
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)C	REAL250005055905	0	40	-1.0	-48.03	324.19	1.66	-46.37
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN1C	REAL250005055906	0	36	-1.0	-50.70	306.82	1.16	-49.54
CCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055907	0	37	-1.0	-49.55	313.72	1.30	-48.25
CC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055908	0	34	-1.0	-49.44	286.67	0.19	-49.25
CCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055909	0	37	-1.0	-49.32	303.75	0.78	-48.54
CC(=O)N(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055910	0	38	-1.0	-55.38	328.31	-0.24	-55.62
CCC(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055911	0	40	-1.0	-49.40	327.85	1.57	-47.83
CC(C)OCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055912	0	41	-1.0	-48.83	346.52	0.54	-48.29
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COCCO1	REAL250005055913	0	37	-1.0	-52.41	311.71	-1.06	-53.47
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC=C1	REAL250005055914	0	32	-1.0	-52.06	287.02	-1.22	-53.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1	REAL250005055914	1	32	-1.0	-50.44	283.90	-1.36	-51.80
CSC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055915	0	35	-1.0	-51.90	310.25	0.70	-51.20
CCOC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055916	0	38	-1.0	-53.15	322.18	0.62	-52.53
CCOCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055917	0	41	-1.0	-52.30	347.75	0.56	-51.74
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COCC1CC1	REAL250005055918	0	39	-1.0	-53.18	337.24	1.70	-51.48
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCO1	REAL250005055919	0	39	-1.0	-52.99	327.10	0.77	-52.22
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNN=C1	REAL250005055920	0	32	-1.0	-51.37	283.52	-1.89	-53.26
COCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055921	0	38	-1.0	-52.29	325.89	-0.41	-52.70
CCOC1CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055922	0	39	-1.0	-48.60	336.27	0.40	-48.20
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSN=C1	REAL250005055923	0	30	-1.0	-47.40	285.05	-1.64	-49.04
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=NS1	REAL250005055924	0	30	-1.0	-50.88	284.16	-1.75	-52.63
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOC=C1	REAL250005055925	0	31	-1.0	-50.17	282.90	-0.42	-50.59
CC(=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055926	0	39	-1.0	-48.44	327.43	2.48	-45.96
CC1=NNC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005055927	0	35	-1.0	-50.41	305.29	-0.82	-51.23
CC1=CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005055927	1	35	-1.0	-51.36	308.92	-0.65	-52.01
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CS1	REAL250005055928	0	31	-1.0	-51.92	288.64	-1.27	-53.19
CCC=C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055929	0	38	-1.0	-50.25	313.21	1.36	-48.89
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005055930	0	34	-1.0	-49.45	300.97	-1.62	-51.07
CCOC(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055931	0	41	-1.0	-52.79	337.91	1.23	-51.56
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(F)(F)F	REAL250005055932	0	31	-1.0	-52.80	288.14	0.18	-52.62
COC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055933	0	35	-1.0	-53.10	298.12	-0.38	-53.48
CC(C)OCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055934	0	38	-1.0	-52.97	325.57	0.84	-52.13
CCCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055935	0	38	-1.0	-52.86	326.80	0.90	-51.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCOC1	REAL250005055936	0	36	-1.0	-50.59	301.57	-1.06	-51.65
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1C	REAL250005055937	0	35	-1.0	-50.73	301.35	-0.52	-51.25
CCC(OC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055938	0	38	-1.0	-51.88	319.54	0.41	-51.47
COCCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055939	0	41	-1.0	-50.01	347.39	0.37	-49.64
CCCC(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055940	0	43	-1.0	-48.96	348.68	2.54	-46.42
COC(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055941	0	38	-1.0	-50.42	323.53	0.35	-50.07
C=CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055942	0	35	-1.0	-49.44	305.03	1.08	-48.36
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCCC1	REAL250005055943	0	37	-1.0	-50.77	306.15	-0.09	-50.86
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCOC1	REAL250005055944	0	39	-1.0	-48.92	318.27	-0.37	-49.29
CCOCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055945	0	38	-1.0	-48.88	326.25	-0.21	-49.09
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CSC=N1	REAL250005055946	0	31	-1.0	-50.07	291.22	-0.35	-50.42
COCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055947	0	38	-1.0	-48.82	318.46	-0.75	-49.57
C=CCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055948	0	36	-1.0	-53.43	318.20	0.68	-52.75
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=N1	REAL250005055949	0	31	-1.0	-50.01	283.07	-2.45	-52.46
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC(=O)N1	REAL250005055950	0	36	-1.0	-57.12	310.43	-2.51	-59.63
CC1=NC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005055951	0	35	-1.0	-51.46	308.93	-0.03	-51.49
CC1=NC=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005055951	1	35	-1.0	-53.44	305.67	-0.28	-53.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C	REAL250005055952	0	41	0.0	-70.17	325.93	0.98	-69.19
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C	REAL250005055952	1	41	0.0	-67.13	329.34	1.33	-65.80
CCC(=O)NCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055953	0	38	-1.0	-50.02	329.69	-1.80	-51.82
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(C)(C)C	REAL250005055954	0	41	-1.0	-49.28	341.40	2.15	-47.13
CCCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055955	0	40	-1.0	-49.46	325.25	1.53	-47.93
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CC1	REAL250005055956	0	38	-1.0	-49.46	323.84	2.09	-47.37
CCCCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055957	0	41	-1.0	-52.80	348.30	1.68	-51.12
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NOC=C1	REAL250005055958	0	34	-1.0	-56.26	305.22	0.11	-56.15
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCOC1	REAL250005055959	0	39	-1.0	-51.21	325.21	-0.18	-51.39
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC=CC1	REAL250005055960	0	36	-1.0	-49.44	306.58	1.49	-47.95
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NNC=C1	REAL250005055961	0	35	-1.0	-55.74	310.09	-0.80	-56.54
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC=NN1	REAL250005055961	1	35	-1.0	-54.53	310.63	-0.93	-55.46
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCC1	REAL250005055962	0	38	-1.0	-49.69	318.63	1.81	-47.88
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005055963	0	34	-1.0	-50.38	300.84	-2.52	-52.90
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055964	0	38	-1.0	-49.72	316.94	1.67	-48.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C2CCCC21	REAL250005055965	0	39	-1.0	-49.12	317.08	2.40	-46.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC1	REAL250005055966	0	41	-1.0	-49.30	340.72	2.62	-46.68
CC=C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055967	0	35	-1.0	-49.96	299.98	0.72	-49.24
CC1CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055968	0	38	-1.0	-49.49	317.32	1.63	-47.86
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CCC1	REAL250005055969	0	36	-1.0	-49.66	309.33	1.75	-47.91
CCC(=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005055970	0	41	-1.0	-48.08	339.60	2.53	-45.55
CC(C)=C(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055971	0	35	-1.0	-50.18	310.25	0.91	-49.27
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCC1	REAL250005055972	0	36	-1.0	-50.06	302.10	1.29	-48.77
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C)C=C1	REAL250005055973	0	36	-1.0	-52.56	310.76	1.35	-51.21
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C)C=N1	REAL250005055974	0	35	-1.0	-52.17	309.06	1.89	-50.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCCO1	REAL250005055975	0	39	-1.0	-53.07	320.81	0.95	-52.12
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1(C)C	REAL250005055976	0	38	-1.0	-48.67	317.31	1.72	-46.95
CCC(C)OCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055977	0	41	-1.0	-52.89	346.34	1.65	-51.24
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC1(C)C	REAL250005055978	0	38	-1.0	-48.71	318.04	1.73	-46.98
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCCO1	REAL250005055979	0	36	-1.0	-53.81	304.00	0.21	-53.60
C#CCCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055980	0	39	-1.0	-50.24	341.00	2.60	-47.64
CCNC(=O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055981	0	38	-1.0	-61.28	328.30	-0.37	-61.65
COC(C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055982	0	41	-1.0	-49.62	345.43	0.36	-49.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN=C1	REAL250005055983	0	33	-1.0	-50.69	292.31	-0.36	-51.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCOCC1	REAL250005055984	0	37	-1.0	-50.79	318.22	-0.30	-51.09
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=COC=C1	REAL250005055985	0	35	-1.0	-52.16	311.74	0.72	-51.44
CC1=NC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005055986	0	34	-1.0	-49.31	305.08	-1.74	-51.05
C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055987	0	37	-1.0	-50.64	318.84	-4.78	-55.42
CC1=CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005055988	0	35	-1.0	-50.56	306.57	0.53	-50.03
CCC(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055989	0	40	-1.0	-49.10	327.18	1.78	-47.32
C#CCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055990	0	36	-1.0	-52.30	319.50	1.82	-50.48
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)O	REAL250005055991	0	38	-1.0	-51.76	317.77	-1.01	-52.77
COC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055992	0	39	-1.0	-52.06	329.12	1.09	-50.97
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=NN1C	REAL250005055993	0	34	-1.0	-50.74	296.58	-1.95	-52.69
CCCCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055994	0	43	-1.0	-49.33	346.75	2.32	-47.01
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)C1	REAL250005055995	0	41	-1.0	-49.25	336.44	2.05	-47.20
CC(C)[C@@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005055996	0	38	-1.0	-48.80	313.38	-1.26	-50.06
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C)N=N1	REAL250005055997	0	34	-1.0	-50.70	305.16	-1.38	-52.08
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)C=N1	REAL250005055998	0	34	-1.0	-56.72	303.77	1.05	-55.67
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1(F)F	REAL250005055999	0	32	-1.0	-51.01	294.43	0.66	-50.35
CCC(C)=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056000	0	38	-1.0	-48.29	321.27	1.81	-46.48
CC(C)C#CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056001	0	36	-1.0	-50.34	320.96	1.78	-48.56
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC1	REAL250005056002	0	39	-1.0	-49.71	325.43	-0.10	-49.81
CC1=CNN=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056003	0	35	-1.0	-51.59	305.01	-0.50	-52.09
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005056004	0	39	-1.0	-49.66	334.06	2.31	-47.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC1CC1	REAL250005056005	0	34	-1.0	-50.46	310.63	1.96	-48.50
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC(C)(C)C	REAL250005056006	0	39	-1.0	-49.99	341.36	2.34	-47.65
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250005056007	0	34	-1.0	-52.20	309.67	0.86	-51.34
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCNC(N)=O	REAL250005056008	0	37	-1.0	-60.44	324.45	-4.72	-65.16
CC1CCC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005056009	0	41	-1.0	-49.39	331.00	2.09	-47.30
C#CCOCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056010	0	37	-1.0	-50.19	332.04	0.34	-49.85
C#CCOC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056011	0	37	-1.0	-55.75	327.97	1.17	-54.58
C=CCC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056012	0	41	-1.0	-49.88	330.17	1.60	-48.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC12CCC2	REAL250005056013	0	39	-1.0	-49.26	328.03	2.43	-46.83
CN(C)C(=O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056014	0	38	-1.0	-61.98	324.58	0.72	-61.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)C=C1	REAL250005056015	0	35	-1.0	-52.83	309.80	0.11	-52.72
COCCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056016	0	41	-1.0	-52.01	337.42	-0.17	-52.18
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1N=CN=N1	REAL250005056017	0	33	-1.0	-58.00	301.05	-1.14	-59.14
CCCC[C@@H](C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056018	0	43	-1.0	-49.51	348.37	2.39	-47.12
CCC(C)(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056019	0	43	-1.0	-48.16	338.14	2.13	-46.03
CC(C)C(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056020	0	43	-1.0	-49.50	327.85	1.44	-48.06
C=CC(C)(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056021	0	41	-1.0	-47.95	332.58	2.04	-45.91
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1N=CC=N1	REAL250005056022	0	34	-1.0	-56.59	306.61	-1.49	-58.08
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C1CC1	REAL250005056023	0	39	-1.0	-49.28	335.00	2.75	-46.53
CCC(C)(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056024	0	43	-1.0	-50.32	331.15	1.47	-48.85
C=C(C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056025	0	38	-1.0	-49.03	326.68	1.75	-47.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NS1	REAL250005056026	0	31	-1.0	-49.84	288.81	-0.73	-50.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@]12C[C@H]1COC2	REAL250005056027	0	37	-1.0	-52.08	316.20	-0.37	-52.45
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1	REAL250005056028	0	35	-1.0	-49.78	298.33	0.80	-48.98
CNC(=O)NCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056029	0	37	-1.0	-51.41	324.25	-3.95	-55.36
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCO1	REAL250005056030	0	36	-1.0	-54.02	303.77	0.20	-53.82
CC(CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005056031	0	41	-1.0	-48.82	338.61	2.58	-46.24
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C(N)=O	REAL250005056032	0	38	-1.0	-62.10	312.56	-1.96	-64.06
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C2CC2)CC1	REAL250005056033	0	39	-1.0	-50.04	313.93	2.14	-47.90
COC1CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005056034	0	39	-1.0	-48.98	329.27	-0.06	-49.04
C=CCCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056035	0	39	-1.0	-52.78	339.61	1.47	-51.31
C=CCOC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056036	0	39	-1.0	-53.54	335.09	1.20	-52.34
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSC=C1	REAL250005056037	0	31	-1.0	-49.18	289.78	-0.10	-49.28
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005056038	0	41	-1.0	-49.38	331.67	2.12	-47.26
CC1CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CO1	REAL250005056039	0	39	-1.0	-50.60	322.45	-0.29	-50.89
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCC(N)=O	REAL250005056040	0	38	-1.0	-61.09	329.90	-2.63	-63.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CCCC1	REAL250005056041	0	38	-1.0	-47.24	314.65	1.45	-45.79
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN1C	REAL250005056042	0	35	-1.0	-51.72	301.50	0.79	-50.93
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005056043	0	43	-1.0	-48.27	331.28	1.72	-46.55
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNN=C1	REAL250005056044	0	31	-1.0	-48.66	281.74	-2.64	-51.30
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005056045	0	35	-1.0	-51.01	311.40	-0.08	-51.09
COCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056046	0	39	-1.0	-53.24	333.44	-0.10	-53.34
COCC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056047	0	41	-1.0	-49.18	332.26	-0.34	-49.52
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)N=C1	REAL250005056048	0	34	-1.0	-50.20	304.77	-1.52	-51.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(F)F	REAL250005056049	0	34	-1.0	-52.07	304.88	0.78	-51.29
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(C)CC1	REAL250005056050	0	38	-1.0	-49.24	321.94	1.79	-47.45
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CCF)CC1	REAL250005056051	0	38	-1.0	-49.09	324.97	1.58	-47.51
CCC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056052	0	43	0.0	-69.53	336.28	1.51	-68.02
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CSN=N1	REAL250005056053	0	30	-1.0	-48.40	286.02	-1.29	-49.69
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCCC1	REAL250005056054	0	41	-1.0	-49.98	322.77	1.70	-48.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CO1	REAL250005056055	0	31	-1.0	-50.87	283.23	-3.16	-54.03
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC(=O)N1	REAL250005056056	0	36	-1.0	-57.52	311.33	-2.47	-59.99
CCC[N@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056057	0	43	0.0	-70.12	345.81	1.87	-68.25
CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056057	1	43	0.0	-70.16	345.54	1.84	-68.32
CC1=NNC=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056058	0	35	-1.0	-53.16	303.88	-1.27	-54.43
CC1=NNN=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056059	0	34	-1.0	-48.26	300.22	-2.04	-50.30
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005056059	1	34	-1.0	-50.48	296.82	-2.13	-52.61
CCCC(OC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056060	0	41	-1.0	-51.15	341.30	1.20	-49.95
C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056061	0	41	-1.0	-48.94	326.64	2.02	-46.92
CC(CC(N)=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056062	0	38	-1.0	-50.04	319.09	-3.10	-53.14
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCNC1=O	REAL250005056063	0	36	-1.0	-50.25	306.79	-2.72	-52.97
C=CC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056064	0	38	-1.0	-50.23	308.91	0.87	-49.36
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@@H+]1C	REAL250005056065	0	41	0.0	-67.19	330.07	1.25	-65.94
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@H+]1C	REAL250005056065	1	41	0.0	-68.30	325.81	0.99	-67.31
C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056066	0	35	-1.0	-49.43	302.10	1.17	-48.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCC1	REAL250005056067	0	38	-1.0	-49.83	309.02	1.15	-48.68
CC1COC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005056068	0	39	-1.0	-53.80	323.85	0.76	-53.04
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@]12C[C@H]1CCC2	REAL250005056069	0	39	-1.0	-49.79	323.65	2.10	-47.69
CC[NH+](CC)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056070	0	43	0.0	-68.53	338.17	1.52	-67.01
CCC(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056071	0	34	-1.0	-46.41	296.04	0.45	-45.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCF	REAL250005056072	0	34	-1.0	-52.25	298.81	0.66	-51.59
CC1=COC=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056073	0	35	-1.0	-53.27	303.76	0.46	-52.81
C[C@H]1C[C@@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056074	0	35	-1.0	-49.58	301.82	1.16	-48.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)C=CCC1	REAL250005056075	0	39	-1.0	-49.57	316.26	1.61	-47.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)N=N1	REAL250005056076	0	33	-1.0	-51.75	299.03	-1.99	-53.74
CC(C)C(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056077	0	37	-1.0	-52.14	313.81	0.95	-51.19
C=CC(C)C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056078	0	41	-1.0	-48.72	335.89	1.97	-46.75
CCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005056079	0	41	-1.0	-49.92	328.23	1.75	-48.17
CC#CCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056080	0	39	-1.0	-53.07	341.33	2.78	-50.29
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1[C@@H]2COC[C@@H]21	REAL250005056081	0	37	-1.0	-48.43	316.93	-0.13	-48.56
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCC1CC1	REAL250005056082	0	41	-1.0	-49.72	345.34	2.87	-46.85
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1(C)C	REAL250005056083	0	41	-1.0	-49.33	330.37	1.82	-47.51
CC1=COC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005056084	0	35	-1.0	-50.09	310.35	0.83	-49.26
C=CC(CC)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056085	0	41	-1.0	-49.32	340.68	2.32	-47.00
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C1CC1	REAL250005056086	0	41	-1.0	-50.01	324.26	1.75	-48.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@H]2C[C@H]2C1	REAL250005056087	0	39	-1.0	-49.35	323.95	2.31	-47.04
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CON=C1	REAL250005056088	0	34	-1.0	-53.90	305.72	0.13	-53.77
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(C)(C)C	REAL250005056089	0	43	-1.0	-49.39	347.45	2.22	-47.17
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NC=N1	REAL250005056090	0	33	-1.0	-48.70	295.43	0.78	-47.92
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC=CO1	REAL250005056091	0	35	-1.0	-53.08	311.76	0.89	-52.19
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=CC=N1	REAL250005056092	0	33	-1.0	-55.04	296.00	0.12	-54.92
CCC(C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056093	0	43	-1.0	-49.37	349.52	2.47	-46.90
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN=N1	REAL250005056094	0	33	-1.0	-50.20	296.16	-0.54	-50.74
CC1OCCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056095	0	39	-1.0	-50.99	325.32	-0.19	-51.18
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCOC1	REAL250005056096	0	39	-1.0	-49.06	315.32	-0.82	-49.88
CCC(CC)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056097	0	43	-1.0	-49.00	341.58	2.32	-46.68
CCC(C)C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056098	0	43	-1.0	-48.95	337.39	1.96	-46.99
CCCC(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056099	0	43	-1.0	-49.28	349.84	2.37	-46.91
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC(F)C1	REAL250005056100	0	38	-1.0	-50.52	316.77	1.54	-48.98
C=CCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056101	0	38	-1.0	-49.86	326.53	1.86	-48.00
CCC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056102	0	40	-1.0	-50.04	315.21	1.01	-49.03
CCCC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056103	0	43	-1.0	-50.10	336.70	1.75	-48.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C(N)=O)CC1	REAL250005056104	0	36	-1.0	-48.21	316.99	-3.13	-51.34
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005056105	0	29	-1.0	-46.99	263.57	-4.87	-51.86
CC1=NOC=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056106	0	34	-1.0	-52.83	298.91	-0.14	-52.97
CCC1(C)CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056107	0	41	-1.0	-48.62	335.11	2.37	-46.25
COCC(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056108	0	41	-1.0	-51.49	341.89	0.23	-51.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1(C)CC1	REAL250005056109	0	41	-1.0	-49.49	340.18	2.45	-47.04
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005056110	0	34	-1.0	-47.64	301.42	0.09	-47.55
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC=CC1	REAL250005056111	0	39	-1.0	-50.02	315.97	1.59	-48.43
COC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005056112	0	41	-1.0	-52.88	335.68	0.92	-51.96
CC1CC1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056113	0	38	-1.0	-49.74	323.31	1.99	-47.75
C=CC(C)(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056114	0	41	-1.0	-48.92	322.14	2.12	-46.80
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[C@H]1CCOC1	REAL250005056115	0	39	-1.0	-51.80	325.20	-0.17	-51.97
CCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056116	0	38	-1.0	-49.94	320.66	1.55	-48.39
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(F)F	REAL250005056117	0	34	-1.0	-55.73	302.62	0.71	-55.02
CCCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056118	0	41	-1.0	-49.45	339.99	2.23	-47.22
CCC[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056119	0	41	-1.0	-49.30	345.70	2.72	-46.58
CC(C)C1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056120	0	41	-1.0	-49.80	333.64	1.92	-47.88
C=C1CC(C)(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005056121	0	39	-1.0	-49.22	324.92	1.70	-47.52
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CF)CC1	REAL250005056122	0	35	-1.0	-48.73	303.31	0.90	-47.83
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2(CC2)C1	REAL250005056123	0	39	-1.0	-49.10	328.25	2.34	-46.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C	REAL250005056124	0	37	-1.0	-49.54	300.03	0.46	-49.08
CCCCCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056125	0	43	-1.0	-49.51	356.72	2.86	-46.65
CC[N@H+](C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056126	0	43	0.0	-72.50	346.41	1.69	-70.81
CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056126	1	43	0.0	-72.58	346.41	1.70	-70.88
CC1=CON=C1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056127	0	34	-1.0	-49.84	301.69	0.27	-49.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@H]1C(N)=O	REAL250005056128	0	36	-1.0	-57.80	316.37	-2.82	-60.62
CC[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056129	0	43	0.0	-66.35	334.61	1.39	-64.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CF)CCC1	REAL250005056130	0	38	-1.0	-48.53	313.61	1.24	-47.29
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=NC=N1	REAL250005056131	0	34	-1.0	-60.33	305.97	1.58	-58.75
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NN=CN1	REAL250005056132	0	34	-1.0	-62.26	304.23	0.16	-62.10
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NC=NN1	REAL250005056132	1	34	-1.0	-57.18	304.79	-0.19	-57.37
CC(C)C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056133	0	40	-1.0	-49.01	322.51	1.40	-47.61
CC[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056134	0	38	-1.0	-49.50	323.49	1.93	-47.57
CC(C)CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056135	0	43	-1.0	-49.39	352.78	2.59	-46.80
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC12CC2	REAL250005056136	0	36	-1.0	-49.82	313.15	1.97	-47.85
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CN=CN1	REAL250005056137	0	35	-1.0	-56.69	310.11	0.22	-56.47
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC(=O)N1	REAL250005056138	0	33	-1.0	-57.25	294.01	-4.00	-61.25
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCCC1	REAL250005056139	0	39	-1.0	-49.39	327.20	2.10	-47.29
CC(=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005056140	0	41	-1.0	-48.20	338.09	2.30	-45.90
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC(=O)N1	REAL250005056141	0	33	-1.0	-57.42	295.22	-3.63	-61.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=NC=N1	REAL250005056142	0	34	-1.0	-60.33	305.97	1.58	-58.75
COC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056143	0	36	-1.0	-47.37	310.71	-0.38	-47.75
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CSC1	REAL250005056144	0	33	-1.0	-49.03	295.44	0.60	-48.43
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CCCC1	REAL250005056145	0	39	-1.0	-47.82	320.20	-1.42	-49.24
C=CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056146	0	32	-1.0	-49.78	283.63	0.30	-49.48
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005056147	0	37	0.0	-70.68	306.31	0.43	-70.25
CN(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056147	1	36	-1.0	-49.91	304.23	-1.96	-51.87
C=CC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056148	0	33	-1.0	-50.04	287.53	-1.86	-51.90
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCN=[N+]=[N-]	REAL250005056149	0	36	-1.0	-52.22	322.36	-2.83	-55.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1OCC1(C)C	REAL250005056150	0	39	-1.0	-53.60	322.84	0.24	-53.36
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005056151	0	41	0.0	-67.82	332.25	1.34	-66.48
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005056151	1	40	-1.0	-51.14	328.07	-1.77	-52.91
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC1(F)F	REAL250005056152	0	32	-1.0	-52.46	291.93	0.70	-51.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CNN=C1	REAL250005056153	0	35	-1.0	-53.47	310.85	-0.78	-54.25
CC(C)NC(=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056154	0	38	-1.0	-46.71	327.62	-1.71	-48.42
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005056155	0	37	-1.0	-49.68	307.86	0.07	-49.61
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CCCC1	REAL250005056156	0	39	-1.0	-49.47	325.32	2.34	-47.13
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CC1	REAL250005056157	0	41	0.0	-67.67	335.72	1.84	-65.83
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CC1	REAL250005056157	1	41	0.0	-67.26	335.57	1.84	-65.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN(C)C1CC1	REAL250005056157	1	40	-1.0	-50.20	329.60	-0.56	-50.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CO)COC1	REAL250005056158	0	37	-1.0	-55.73	310.32	-4.86	-60.59
CC(C)=CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056159	0	41	-1.0	-49.21	344.43	2.53	-46.68
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC1	REAL250005056160	0	33	-1.0	-49.75	286.77	-1.80	-51.55
CC1CCC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005056161	0	39	-1.0	-53.42	324.90	0.96	-52.46
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(CO)CC1	REAL250005056162	0	39	-1.0	-48.92	332.53	-1.54	-50.46
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1C[NH+](C)C1	REAL250005056163	0	41	0.0	-72.32	338.02	1.30	-71.02
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(O)C1	REAL250005056164	0	39	-1.0	-53.45	327.24	-1.85	-55.30
CO[C@H](C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056165	0	35	-1.0	-53.12	298.12	-0.38	-53.50
CC1=NC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL250005056166	0	34	-1.0	-55.84	303.78	-0.73	-56.57
CC1=NNC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005056166	1	34	-1.0	-47.77	302.98	-0.40	-48.17
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC(=O)N1	REAL250005056167	0	32	-1.0	-51.20	290.25	-2.23	-53.43
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC(=O)[N-]1	REAL250005056167	1	31	-2.0	-86.31	288.99	-3.18	-89.49
CC=CC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056168	0	36	-1.0	-49.82	309.23	-0.99	-50.81
CCCC[C@H](C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056169	0	43	-1.0	-49.05	349.51	2.42	-46.63
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056170	0	40	0.0	-67.99	323.12	0.85	-67.14
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005056170	1	39	-1.0	-49.53	312.96	-1.79	-51.32
CCC=C(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056171	0	35	-1.0	-46.55	306.86	1.07	-45.48
CCC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056172	0	35	-1.0	-49.42	304.83	1.12	-48.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC(=O)N1	REAL250005056174	0	36	-1.0	-58.13	312.11	-2.43	-60.56
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CO	REAL250005056175	0	38	-1.0	-49.44	310.01	-2.74	-52.18
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=CN1C	REAL250005056176	0	35	-1.0	-49.53	305.00	1.09	-48.44
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(O)C1CC1	REAL250005056177	0	39	-1.0	-52.77	333.68	-0.38	-53.15
CC(=CC1CC1)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056178	0	39	-1.0	-49.26	334.68	2.38	-46.88
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC=CO1	REAL250005056179	0	37	-1.0	-52.74	311.12	1.18	-51.56
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CSC1	REAL250005056180	0	36	-1.0	-52.62	318.68	1.46	-51.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CCC1	REAL250005056181	0	35	-1.0	-46.59	301.06	0.97	-45.62
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(N)=O	REAL250005056182	0	33	-1.0	-51.04	300.14	-3.61	-54.65
C#CCSCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056183	0	34	-1.0	-54.23	321.03	1.62	-52.61
CC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056184	0	32	-1.0	-54.44	278.71	-2.59	-57.03
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CCC1	REAL250005056185	0	36	-1.0	-49.88	301.94	-1.91	-51.79
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(O)C1CC1	REAL250005056186	0	36	-1.0	-48.96	307.48	-1.10	-50.06
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=NN=C1	REAL250005056187	0	34	-1.0	-60.91	306.49	2.50	-58.41
C=CCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056188	0	38	-1.0	-49.05	318.25	1.37	-47.68
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1F	REAL250005056189	0	32	-1.0	-47.48	288.23	0.59	-46.89
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056190	0	40	0.0	-67.99	323.12	0.85	-67.14
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005056190	1	39	-1.0	-49.53	312.96	-1.79	-51.32
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005056191	0	31	-1.0	-48.47	277.31	-0.10	-48.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CN=N1	REAL250005056192	0	34	-1.0	-61.76	305.08	-1.16	-62.92
C=CC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005056193	0	39	-1.0	-49.35	319.46	2.04	-47.31
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)COC1	REAL250005056194	0	34	-1.0	-49.34	296.52	-4.80	-54.14
CCC(C)C(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056195	0	41	-1.0	-49.64	331.67	-0.43	-50.07
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005056196	0	36	-1.0	-49.91	318.16	1.83	-48.08
CCC1CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056197	0	38	-1.0	-49.42	324.22	1.94	-47.48
CC(O)CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056198	0	41	-1.0	-52.51	345.56	-1.21	-53.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC1	REAL250005056199	0	36	-1.0	-53.79	312.42	-2.21	-56.00
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005056200	0	32	-1.0	-51.45	289.93	0.48	-50.97
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)CC1CC1	REAL250005056201	0	38	-1.0	-46.27	327.62	1.99	-44.28
CCC(CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)OC	REAL250005056202	0	41	-1.0	-49.94	339.42	0.99	-48.95
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=C(Cl)CC1	REAL250005056203	0	33	-1.0	-52.93	304.48	1.41	-51.52
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@]12C[C@H]1[C@H](F)C2	REAL250005056204	0	36	-1.0	-53.47	315.16	1.71	-51.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCOC1	REAL250005056205	0	37	-1.0	-50.70	307.18	-0.50	-51.20
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(O)C(C)(C)C	REAL250005056206	0	41	-1.0	-49.23	326.85	-0.30	-49.53
C#CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056207	0	33	-1.0	-49.34	298.00	1.04	-48.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC1	REAL250005056208	0	37	-1.0	-50.82	312.36	-2.35	-53.17
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005056208	1	38	0.0	-70.37	316.68	0.87	-69.50
CC(C)C(O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056209	0	41	-1.0	-52.58	336.95	-0.39	-52.97
CCCC(C)(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056210	0	41	-1.0	-47.27	334.20	-1.16	-48.43
CCOC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056211	0	41	-1.0	-53.96	328.94	0.74	-53.22
C#C[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056212	0	34	-1.0	-52.43	304.29	1.67	-50.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(N=[N+]=[N-])CC1	REAL250005056213	0	34	-1.0	-49.14	304.13	-2.96	-52.10
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC(=O)O1	REAL250005056214	0	32	-1.0	-50.90	293.08	-2.70	-53.60
CC(C)[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056215	0	41	-1.0	-49.34	343.28	2.48	-46.86
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C2CCC21	REAL250005056216	0	36	-1.0	-49.56	304.13	1.82	-47.74
C=C1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056217	0	36	-1.0	-48.83	306.66	1.37	-47.46
C[C@H]1C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005056218	0	38	-1.0	-49.40	319.04	1.70	-47.70
C[C@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056219	0	40	0.0	-68.82	322.76	0.81	-68.01
C[C@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005056219	1	39	-1.0	-50.29	320.03	-1.60	-51.89
CC=CC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056220	0	36	-1.0	-49.57	318.90	1.80	-47.77
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=NN1C	REAL250005056221	0	34	-1.0	-47.61	300.19	0.99	-46.62
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC[C@@H](O)C1	REAL250005056222	0	39	-1.0	-51.49	321.34	-1.87	-53.36
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC=CCC1	REAL250005056223	0	39	-1.0	-46.51	315.50	1.77	-44.74
COCC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056224	0	36	-1.0	-51.52	317.10	-0.60	-52.12
CC1CN(CC(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005056225	0	40	-1.0	-51.55	334.48	-1.34	-52.89
CC1C[NH+](CC(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005056225	1	41	0.0	-70.30	337.85	1.54	-68.76
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)COC1	REAL250005056226	0	36	-1.0	-49.50	302.91	-1.45	-50.95
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCCO1	REAL250005056227	0	37	-1.0	-48.68	312.89	0.71	-47.97
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCS1	REAL250005056228	0	34	-1.0	-49.00	303.40	0.85	-48.15
CC1=NOC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005056229	0	36	-1.0	-57.97	312.91	0.28	-57.69
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)NC1CC1	REAL250005056230	0	36	-1.0	-46.63	317.11	-1.65	-48.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCSC1	REAL250005056231	0	36	-1.0	-49.60	312.91	1.18	-48.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCO1	REAL250005056232	0	33	-1.0	-54.52	286.20	-0.72	-55.24
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCN=[N+]=[N-]	REAL250005056233	0	33	-1.0	-48.48	300.85	-3.63	-52.11
C#CCOCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056234	0	34	-1.0	-55.80	311.08	0.64	-55.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NN=CO1	REAL250005056235	0	33	-1.0	-58.00	300.85	-5.09	-63.09
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCS1	REAL250005056236	0	36	-1.0	-50.61	314.57	1.37	-49.24
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)O	REAL250005056237	0	35	-1.0	-47.26	295.88	-2.63	-49.89
CC1=CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056238	0	33	-1.0	-50.00	295.75	1.22	-48.78
CN(C)C(=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056239	0	35	-1.0	-46.70	302.00	-1.37	-48.07
CSC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056240	0	33	-1.0	-48.76	305.75	0.68	-48.08
CCC(C)(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056241	0	38	-1.0	-45.48	307.89	-1.81	-47.29
CC[N@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056242	0	40	0.0	-69.85	324.31	1.13	-68.72
CC[N@@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056242	1	40	0.0	-69.82	324.31	1.12	-68.70
CCN(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056242	1	39	-1.0	-49.96	322.20	-1.17	-51.13
CCC=CC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056243	0	39	-1.0	-49.43	340.00	2.56	-46.87
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N[N-]1	REAL250005056244	0	32	-2.0	-88.49	294.41	-3.27	-91.76
CC1=CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005056245	0	36	-1.0	-56.23	310.74	0.13	-56.10
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005056246	0	39	-1.0	-49.47	319.17	1.97	-47.50
C=C1CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005056247	0	36	-1.0	-48.99	309.65	1.49	-47.50
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(O)C1CC1	REAL250005056248	0	39	-1.0	-47.67	321.45	-1.32	-48.99
CC1=NC=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005056249	0	34	-1.0	-50.23	305.22	-2.40	-52.63
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1F	REAL250005056250	0	35	-1.0	-53.51	300.52	1.07	-52.44
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=N1	REAL250005056251	0	32	-1.0	-52.43	286.12	0.20	-52.23
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN1	REAL250005056251	1	32	-1.0	-54.18	283.92	-0.14	-54.32
CC1=NOC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005056252	0	33	-1.0	-50.27	299.81	-2.57	-52.84
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CC2C1	REAL250005056253	0	39	-1.0	-49.27	321.83	2.22	-47.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCSC1	REAL250005056254	0	34	-1.0	-48.62	310.22	1.18	-47.44
CCCC(O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056255	0	41	-1.0	-52.94	344.39	-0.34	-53.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(Cl)CC1	REAL250005056256	0	32	-1.0	-47.92	295.71	0.87	-47.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCO1	REAL250005056257	0	34	-1.0	-48.21	296.26	-0.09	-48.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+](C)C	REAL250005056258	0	41	0.0	-76.13	341.72	1.69	-74.44
CCC[C@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056259	0	38	-1.0	-49.84	320.40	-0.96	-50.80
CCC(C)(OC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056260	0	41	-1.0	-53.98	325.62	0.45	-53.53
CC(C)[C@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056261	0	38	-1.0	-49.87	312.97	-1.10	-50.97
CC(C)C(CO)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056262	0	41	-1.0	-49.58	332.22	-1.48	-51.06
CCOC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056263	0	36	-1.0	-48.71	316.77	-0.02	-48.73
CC[N@@H+]1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056264	0	41	0.0	-70.03	337.49	1.38	-68.65
CC[N@H+]1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056264	1	41	0.0	-69.82	336.71	1.32	-68.50
CCN1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056264	1	40	-1.0	-52.19	333.91	-1.48	-53.67
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC1O	REAL250005056265	0	39	-1.0	-52.48	323.25	-1.65	-54.13
C[C@@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056266	0	32	-1.0	-50.55	276.68	-2.59	-53.14
CCC(C)=C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056267	0	41	-1.0	-49.31	344.22	2.35	-46.96
COC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005056268	0	39	-1.0	-47.26	324.50	0.10	-47.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(C)(C)O	REAL250005056269	0	41	-1.0	-48.97	340.61	-1.46	-50.43
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CSN=C1	REAL250005056270	0	31	-1.0	-51.72	287.43	-0.63	-52.35
CC1CC(C)(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005056271	0	41	-1.0	-49.46	326.45	1.67	-47.79
CNC(=O)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056272	0	38	-1.0	-50.67	330.33	-1.93	-52.60
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCF	REAL250005056273	0	37	-1.0	-49.78	320.31	1.44	-48.34
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005056274	0	33	-1.0	-52.94	294.85	-3.00	-55.94
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CN=CO1	REAL250005056275	0	34	-1.0	-55.52	306.43	-2.39	-57.91
COC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056276	0	38	-1.0	-53.89	307.08	-0.20	-54.09
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+](C)C	REAL250005056277	0	43	0.0	-72.97	326.90	0.92	-72.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)(F)CO	REAL250005056278	0	32	-1.0	-49.71	289.77	-2.17	-51.88
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCO	REAL250005056279	0	38	-1.0	-50.56	325.14	-2.04	-52.60
CC1=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005056280	0	34	-1.0	-49.21	298.07	-0.05	-49.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CNC(=O)C1	REAL250005056281	0	36	-1.0	-54.60	311.26	-2.73	-57.33
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CNC(=O)N1	REAL250005056282	0	35	-1.0	-59.37	305.31	-4.98	-64.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CS1	REAL250005056283	0	31	-1.0	-51.92	288.64	-1.27	-53.19
CC1=CC=C(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005056284	0	36	-1.0	-52.32	311.05	0.67	-51.65
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CO)CC1	REAL250005056285	0	36	-1.0	-54.32	311.20	-2.50	-56.82
COC1(CC(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056286	0	39	-1.0	-52.73	331.88	0.04	-52.69
CC[C@H](C)[C@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056287	0	41	-1.0	-49.14	330.73	-0.59	-49.73
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@]12C[C@H]1[C@H](O)C2	REAL250005056288	0	37	-1.0	-54.64	319.93	-1.79	-56.43
COC(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056289	0	32	-1.0	-53.00	288.84	-1.45	-54.45
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C12CC1CC2	REAL250005056290	0	36	-1.0	-49.76	306.73	1.60	-48.16
CCCC(C)=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056291	0	41	-1.0	-48.07	342.77	2.59	-45.48
C=C[C@H](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056292	0	38	-1.0	-49.00	321.73	1.65	-47.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1CC1	REAL250005056293	0	36	-1.0	-49.55	315.46	1.92	-47.63
CC=C(CC)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056294	0	38	-1.0	-49.60	325.60	1.61	-47.99
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC12CC(C1)C2	REAL250005056295	0	39	-1.0	-50.28	324.50	2.45	-47.83
CCC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005056296	0	41	-1.0	-50.73	330.22	-1.51	-52.24
C=CC(C)(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056297	0	36	-1.0	-47.57	304.99	-1.95	-49.52
CCC(C)(CO)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056298	0	41	-1.0	-49.24	325.88	-2.30	-51.54
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CC1	REAL250005056299	0	41	0.0	-71.43	330.59	1.17	-70.26
CN(C)C1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056299	1	40	-1.0	-48.90	325.34	-1.33	-50.23
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)CO2	REAL250005056300	0	37	-1.0	-48.87	311.89	0.06	-48.81
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)(C)O	REAL250005056301	0	41	-1.0	-52.01	326.82	-1.31	-53.32
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)OC2	REAL250005056302	0	37	-1.0	-50.04	309.76	-0.69	-50.73
CC(O)C1CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056303	0	39	-1.0	-49.67	326.70	0.08	-49.59
C[C@@H]1C[C@@]2(C(=O)N(C)CCNC(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005056304	0	39	-1.0	-49.87	329.72	2.26	-47.61
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=NC=N1	REAL250005056305	0	34	-1.0	-60.33	305.97	1.58	-58.75
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC1(C)CC1	REAL250005056306	0	37	-1.0	-50.37	331.84	2.48	-47.89
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005056307	0	33	-1.0	-50.81	287.15	0.88	-49.93
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(F)O1	REAL250005056308	0	32	-1.0	-46.73	294.84	0.26	-46.47
CON=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056309	0	32	-1.0	-52.09	292.64	-1.69	-53.78
C#CCC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056310	0	39	-1.0	-49.52	324.17	1.58	-47.94
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN(C)C(N)=O	REAL250005056311	0	37	-1.0	-56.26	320.78	-2.80	-59.06
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC(=O)N[N-]1	REAL250005056312	0	31	-2.0	-87.21	289.21	-3.97	-91.18
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC1	REAL250005056313	0	32	-1.0	-48.31	286.96	0.50	-47.81
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COCCO	REAL250005056314	0	36	-1.0	-56.13	316.67	-3.03	-59.16
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CF	REAL250005056315	0	37	-1.0	-48.32	305.54	0.59	-47.73
CC(C)[C@@H](O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056316	0	41	-1.0	-52.50	337.33	-0.38	-52.88
CSC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056317	0	36	-1.0	-47.65	324.14	1.43	-46.22
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOCC1	REAL250005056318	0	33	-1.0	-47.26	292.90	-1.13	-48.39
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CCO)CC1	REAL250005056319	0	39	-1.0	-49.55	329.80	-1.89	-51.44
CC(C)C(C)(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056320	0	41	-1.0	-44.99	322.03	-0.98	-45.97
CC(C[NH+](C)C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056321	0	43	0.0	-72.14	340.07	1.46	-70.68
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN=CS1	REAL250005056322	0	30	-1.0	-48.93	286.84	-1.59	-50.52
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)C1CCC1	REAL250005056323	0	38	-1.0	-46.06	320.32	1.69	-44.37
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)O1	REAL250005056324	0	39	-1.0	-54.39	330.09	0.62	-53.77
CC1CC(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005056325	0	36	-1.0	-46.96	313.98	-0.37	-47.33
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(F)C1	REAL250005056326	0	38	-1.0	-52.44	322.58	1.61	-50.83
COCC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056327	0	36	-1.0	-49.74	311.36	-3.29	-53.03
C#CC(C)(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056328	0	36	-1.0	-52.62	305.91	0.89	-51.73
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CNC(=O)N1	REAL250005056329	0	35	-1.0	-58.97	305.78	-4.94	-63.91
CC1CC[N@@H+]1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056330	0	41	0.0	-69.20	337.86	1.51	-67.69
CC1CC[N@H+]1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056330	1	41	0.0	-68.04	332.36	1.25	-66.79
CC1CCN1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056330	1	40	-1.0	-51.42	334.55	-1.37	-52.79
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC1	REAL250005056331	0	36	-1.0	-54.01	315.67	0.89	-53.12
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=CN1	REAL250005056332	0	32	-1.0	-49.71	287.21	-0.71	-50.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1CCC1	REAL250005056333	0	39	-1.0	-49.42	331.89	2.45	-46.97
CCCC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056334	0	38	-1.0	-49.25	326.33	1.90	-47.35
CC=C(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056335	0	32	-1.0	-46.77	286.55	0.34	-46.43
CCC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005056336	0	43	-1.0	-49.67	345.26	1.95	-47.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)=C1CCC1	REAL250005056337	0	36	-1.0	-46.92	313.48	1.76	-45.16
CCC(CO)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056338	0	38	-1.0	-49.73	313.44	-2.43	-52.16
CC(CO)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056339	0	35	-1.0	-49.15	296.21	-3.15	-52.30
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CON=C1	REAL250005056340	0	31	-1.0	-48.73	273.92	-0.97	-49.70
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1CF	REAL250005056341	0	35	-1.0	-52.12	309.19	1.30	-50.82
C#CC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056342	0	34	-1.0	-48.81	302.02	1.24	-47.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCC1	REAL250005056343	0	34	-1.0	-50.46	290.91	-0.74	-51.20
C[C@H](O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056344	0	32	-1.0	-54.23	277.02	-2.61	-56.84
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(F)=NN1	REAL250005056345	0	32	-1.0	-49.58	290.43	-1.55	-51.13
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C=CCC1	REAL250005056346	0	36	-1.0	-48.84	301.87	1.33	-47.51
CC(O)C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056347	0	38	-1.0	-52.85	311.46	-1.24	-54.09
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CCOC1	REAL250005056348	0	37	-1.0	-52.43	308.52	-3.88	-56.31
C=C1CC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056349	0	33	-1.0	-49.41	294.28	1.08	-48.33
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC1	REAL250005056350	0	39	-1.0	-50.19	326.77	2.29	-47.90
CC(CF)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056351	0	34	-1.0	-48.10	291.42	0.26	-47.84
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(C)(C)C1	REAL250005056352	0	39	-1.0	-49.96	329.22	2.05	-47.91
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC1(F)F	REAL250005056353	0	32	-1.0	-53.12	292.19	0.71	-52.41
CC(=O)NCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056354	0	38	-1.0	-59.97	331.53	-1.94	-61.91
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC(=O)N1	REAL250005056355	0	33	-1.0	-52.03	294.17	-2.80	-54.83
CC1CCCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056356	0	41	-1.0	-49.42	329.01	2.27	-47.15
C=C(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056357	0	35	-1.0	-49.35	305.24	0.95	-48.40
CCSCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056358	0	35	-1.0	-52.03	315.25	1.10	-50.93
CC(C)=C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056359	0	38	-1.0	-49.94	322.48	1.35	-48.59
CCCC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056360	0	38	-1.0	-49.49	318.60	-1.03	-50.52
CCCCC(O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056361	0	41	-1.0	-49.47	340.10	-0.25	-49.72
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1CC1	REAL250005056362	0	36	-1.0	-51.75	325.84	1.92	-49.83
CCC(O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056363	0	38	-1.0	-53.01	322.89	-1.11	-54.12
CC(Cl)=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056364	0	32	-1.0	-50.96	296.02	0.87	-50.09
CC=CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056365	0	32	-1.0	-49.59	283.74	0.36	-49.23
CCC(F)(F)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056366	0	34	-1.0	-46.03	300.16	0.53	-45.50
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1F	REAL250005056367	0	35	-1.0	-48.15	305.66	0.87	-47.28
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@@H](O)C1	REAL250005056368	0	36	-1.0	-53.94	308.45	-2.41	-56.35
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1(C)C	REAL250005056369	0	41	-1.0	-49.90	341.68	2.44	-47.46
CC(NC(N)=O)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056370	0	37	-1.0	-51.57	318.29	-4.76	-56.33
C=C(C)CCCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056371	0	41	-1.0	-49.93	348.14	2.53	-47.40
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC(F)C1	REAL250005056372	0	38	-1.0	-51.63	315.39	1.23	-50.40
C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056373	0	35	-1.0	-49.43	302.10	1.17	-48.26
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250005056374	0	39	-1.0	-49.33	318.52	2.11	-47.22
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC1COC1	REAL250005056375	0	37	-1.0	-54.17	323.10	-1.32	-55.49
C[C@@H]1C[C@]2(C(=O)N(C)CCNC(=O)C3=CC(=O)[N-]O3)C[C@H]12	REAL250005056376	0	39	-1.0	-49.63	326.13	2.19	-47.44
CNC(=O)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056377	0	35	-1.0	-61.76	306.81	-1.22	-62.98
C=CC=CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056378	0	36	-1.0	-50.29	318.88	1.72	-48.57
C#CC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005056379	0	37	-1.0	-48.51	317.88	1.70	-46.81
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL250005056380	0	41	0.0	-67.83	325.42	0.97	-66.86
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]1C	REAL250005056380	1	41	0.0	-66.87	331.22	1.28	-65.59
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC=CCO1	REAL250005056381	0	37	-1.0	-52.86	311.95	0.80	-52.06
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCOC1CC1	REAL250005056382	0	39	-1.0	-48.94	336.62	0.57	-48.37
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCCO	REAL250005056383	0	41	-1.0	-52.85	346.64	-1.26	-54.11
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CSC=N1	REAL250005056384	0	31	-1.0	-50.07	291.22	-0.35	-50.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CO)CCC1	REAL250005056385	0	39	-1.0	-53.92	320.36	-2.16	-56.08
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(N)=O	REAL250005056386	0	35	-1.0	-50.62	308.40	-3.41	-54.03
C=CCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056387	0	39	-1.0	-50.13	333.77	2.14	-47.99
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC(F)F	REAL250005056388	0	32	-1.0	-51.76	295.04	-0.50	-52.26
COC(C)(C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056389	0	41	-1.0	-51.47	333.08	0.89	-50.58
CC(O)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056390	0	38	-1.0	-49.25	324.03	-1.99	-51.24
C#CCC(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056391	0	36	-1.0	-49.18	311.23	1.31	-47.87
CC(CCO)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056392	0	38	-1.0	-53.33	315.18	-2.57	-55.90
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)=CC1CC1	REAL250005056393	0	36	-1.0	-46.52	318.10	1.89	-44.63
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC(F)C1	REAL250005056394	0	38	-1.0	-50.03	325.27	1.90	-48.13
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](O)CF	REAL250005056395	0	32	-1.0	-49.69	284.17	-2.41	-52.10
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN=CN1C	REAL250005056396	0	34	-1.0	-51.06	299.77	1.39	-49.67
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CC1	REAL250005056397	0	33	-1.0	-47.53	292.11	-2.76	-50.29
CN(CCNC(=O)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056398	0	35	-1.0	-52.00	299.19	1.21	-50.79
CN(CCNC(=O)C(C)(C)F)C(=O)C1=CC(=O)[N-]O1	REAL250005056399	0	34	-1.0	-48.56	295.07	0.33	-48.23
CN(CCNC(=O)C(C)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005056400	0	31	-1.0	-47.25	280.11	-0.13	-47.38
COCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056401	0	32	-1.0	-55.04	280.98	-0.96	-56.00
CN(CCNC(=O)C1=CC=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056402	0	34	-1.0	-52.14	300.60	0.26	-51.88
CN(CCNC(=O)C1=CC=NC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056403	0	34	-1.0	-52.58	298.83	0.22	-52.36
CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056404	0	34	-1.0	-51.62	289.75	0.44	-51.18
CN(CCNC(=O)C1=CC=CN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056405	0	34	-1.0	-52.27	298.63	0.19	-52.08
CN(CCNC(=O)C1=CC=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056406	0	32	-1.0	-51.76	287.62	-0.04	-51.80
CC(=O)NCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056407	0	35	-1.0	-52.45	306.63	-2.64	-55.09
CN(CCNC(=O)C1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056408	0	35	-1.0	-52.86	303.65	1.97	-50.89
CC(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056409	0	37	-1.0	-51.21	306.48	1.02	-50.19
CN(CCNC(=O)C1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056410	0	41	-1.0	-51.09	329.43	2.24	-48.85
CN(CCNC(=O)C1=CN=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056411	0	33	-1.0	-52.21	295.65	-1.61	-53.82
CN(CCNC(=O)CC1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056412	0	41	-1.0	-51.67	331.45	2.29	-49.38
CN(CCNC(=O)C1=CC=CS1)C(=O)C1=CC(=O)[N-]O1	REAL250005056413	0	32	-1.0	-51.44	295.54	0.96	-50.48
CC1CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056414	0	35	-1.0	-51.62	300.15	1.09	-50.53
CCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056415	0	35	-1.0	-55.11	302.83	0.00	-55.11
CC(C)=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056416	0	35	-1.0	-50.94	297.73	0.99	-49.95
CN(CCNC(=O)C1=COCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056417	0	35	-1.0	-56.60	301.55	-0.39	-56.99
CC(=O)NC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056418	0	38	-1.0	-52.98	326.48	-1.80	-54.78
CC1=CC=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL250005056419	0	35	-1.0	-51.15	309.53	0.79	-50.36
CN(CCNC(=O)C1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056420	0	36	-1.0	-55.44	304.01	0.22	-55.22
CSCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056421	0	32	-1.0	-54.17	291.32	0.10	-54.07
CC1=CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005056422	0	34	-1.0	-50.80	304.03	0.04	-50.76
CSCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056423	0	35	-1.0	-50.60	312.99	0.91	-49.69
CC(C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056424	0	40	-1.0	-51.61	328.82	1.73	-49.88
CN(CCNC(=O)C1=CSC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056425	0	32	-1.0	-52.75	294.73	0.86	-51.89
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005056426	0	35	-1.0	-51.91	305.32	0.75	-51.16
CN(CCNC(=O)CC1C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056427	0	39	-1.0	-51.94	323.36	2.18	-49.76
CN(CCNC(=O)CN1C=NN=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056428	0	33	-1.0	-67.91	297.06	-0.77	-68.68
CN(CCNC(=O)C1=CN(C)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056429	0	35	-1.0	-54.02	308.43	-0.30	-54.32
CN(CCNC(=O)C1CC=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056430	0	39	-1.0	-50.89	321.71	2.11	-48.78
CC1=NOC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL250005056431	0	34	-1.0	-49.42	304.31	0.00	-49.42
CN(CCNC(=O)C1=CC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056432	0	33	-1.0	-54.39	290.50	-0.25	-54.64
CC(=O)CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056433	0	39	-1.0	-60.81	334.34	1.13	-59.68
CN(CCNC(=O)C1=COC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056434	0	32	-1.0	-55.40	287.04	-0.07	-55.47
CN(CCNC(=O)CN1C=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056435	0	35	-1.0	-60.93	308.49	0.09	-60.84
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005056436	0	35	-1.0	-51.48	305.76	0.67	-50.81
CCCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056437	0	40	-1.0	-51.64	332.75	2.00	-49.64
CN(CCNC(=O)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056438	0	40	-1.0	-50.42	321.45	1.55	-48.87
CN(CCNC(=O)C1=CC=CN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056439	0	36	-1.0	-52.37	308.48	1.40	-50.97
CCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056440	0	37	-1.0	-51.71	311.25	1.22	-50.49
CC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056441	0	34	-1.0	-51.38	287.80	0.35	-51.03
CCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056442	0	37	-1.0	-51.44	305.93	0.99	-50.45
CN(CCNC(=O)CSCC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005056443	0	33	-1.0	-61.04	312.13	0.73	-60.31
CC(=O)N(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056444	0	38	-1.0	-57.45	325.84	-0.27	-57.72
CCC(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056445	0	40	-1.0	-51.60	321.99	1.44	-50.16
CC(C)OCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056446	0	41	-1.0	-50.87	344.06	0.46	-50.41
CN(CCNC(=O)C1COCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056447	0	37	-1.0	-54.69	312.96	-0.98	-55.67
CN(CCNC(=O)C1=CC=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056448	0	32	-1.0	-51.77	285.21	-1.57	-53.34
CSC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056449	0	35	-1.0	-53.59	309.87	0.67	-52.92
CCOC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056450	0	38	-1.0	-54.84	322.62	0.70	-54.14
CCOCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056451	0	41	-1.0	-54.46	345.28	0.48	-53.98
CN(CCNC(=O)COCC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056452	0	39	-1.0	-55.40	334.24	1.56	-53.84
CN(CCNC(=O)CC1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056453	0	39	-1.0	-55.34	324.10	0.68	-54.66
CN(CCNC(=O)C1=CNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056454	0	32	-1.0	-53.27	285.49	-1.61	-54.88
COCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056455	0	38	-1.0	-54.38	323.43	-0.49	-54.87
CCOC1CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056456	0	39	-1.0	-50.26	334.34	0.32	-49.94
CN(CCNC(=O)C1=NSN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056457	0	30	-1.0	-48.79	284.60	-2.08	-50.87
CN(CCNC(=O)C1=CN=NS1)C(=O)C1=CC(=O)[N-]O1	REAL250005056458	0	30	-1.0	-51.00	285.67	-1.44	-52.44
CN(CCNC(=O)C1=NOC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056459	0	31	-1.0	-51.90	282.09	-0.80	-52.70
CC(=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005056460	0	39	-1.0	-50.50	325.89	2.42	-48.08
CC1=NNC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL250005056461	0	35	-1.0	-51.80	307.41	-0.97	-52.77
CN(CCNC(=O)C1=CN=CS1)C(=O)C1=CC(=O)[N-]O1	REAL250005056462	0	31	-1.0	-52.42	290.55	-0.90	-53.32
CCC=C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056463	0	38	-1.0	-51.76	316.85	1.71	-50.05
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005056464	0	34	-1.0	-51.32	300.65	-2.60	-53.92
CCOC(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056465	0	41	-1.0	-53.49	342.99	1.55	-51.94
CN(CCNC(=O)CC(F)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005056466	0	31	-1.0	-54.86	285.67	0.09	-54.77
COC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056467	0	35	-1.0	-54.90	300.77	-0.25	-55.15
CC(C)OCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056468	0	38	-1.0	-54.94	323.10	0.72	-54.22
CCCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056469	0	38	-1.0	-54.83	324.33	0.80	-54.03
CN(CCNC(=O)C1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056470	0	36	-1.0	-53.66	302.17	-0.98	-54.64
CN(CCNC(=O)C1=CC=NN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056471	0	35	-1.0	-52.00	303.69	-0.31	-52.31
CCC(OC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056472	0	38	-1.0	-53.68	321.48	0.57	-53.11
COCCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056473	0	41	-1.0	-52.29	344.92	0.29	-52.00
CCCC(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056474	0	43	-1.0	-51.15	346.21	2.45	-48.70
COC(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056475	0	38	-1.0	-52.57	321.07	0.27	-52.30
C=CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056476	0	35	-1.0	-51.55	302.56	1.00	-50.55
CN(CCNC(=O)C1=COCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056477	0	37	-1.0	-52.13	309.84	0.26	-51.87
CN(CCNC(=O)C1CCCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056478	0	39	-1.0	-50.88	320.49	-0.18	-51.06
CCOCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056479	0	38	-1.0	-50.97	323.78	-0.29	-51.26
CN(CCNC(=O)C1=CSC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056480	0	31	-1.0	-51.99	290.63	-1.04	-53.03
COCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056481	0	38	-1.0	-50.62	320.65	-0.54	-51.16
C=CCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056482	0	36	-1.0	-55.48	315.73	0.57	-54.91
CN(CCNC(=O)C1=COC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056483	0	31	-1.0	-51.97	282.66	-3.42	-55.39
CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056484	0	36	-1.0	-60.11	311.17	-2.44	-62.55
CC1=NC=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL250005056485	0	35	-1.0	-54.65	307.31	-0.66	-55.31
CN(CCNC(=O)C1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056486	0	41	0.0	-70.32	324.03	0.95	-69.37
CN(CCNC(=O)C1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056486	1	41	0.0	-70.11	324.27	0.94	-69.17
CN(CCNC(=O)C1CCCN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056486	1	40	-1.0	-53.35	329.07	-0.88	-54.23
CCC(=O)NCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056487	0	38	-1.0	-52.08	327.22	-1.83	-53.91
CN(CCNC(=O)C=CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056488	0	41	-1.0	-51.27	339.75	2.08	-49.19
CC(C#N)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056489	0	32	-1.0	-58.69	287.23	-0.03	-58.72
CCCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056490	0	40	-1.0	-51.48	327.43	1.75	-49.73
CN(CCNC(=O)C(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056491	0	39	-1.0	-47.00	325.58	0.74	-46.26
CN(CCNC(=O)CCC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056492	0	38	-1.0	-51.65	321.37	2.01	-49.64
CCCCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056493	0	41	-1.0	-54.90	345.83	1.58	-53.32
CN(CCNC(=O)CC1=NOC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056494	0	34	-1.0	-59.94	302.48	0.02	-59.92
CN(CCNC(=O)CC1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056495	0	39	-1.0	-52.62	322.48	-0.29	-52.91
CN(CCNC(=O)C1CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056496	0	36	-1.0	-51.28	303.79	1.44	-49.84
CN(CCNC(=O)CC1=NNC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056497	0	35	-1.0	-59.21	307.35	-0.90	-60.11
CN(CCNC(=O)CC1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056498	0	38	-1.0	-51.88	316.16	1.73	-50.15
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005056499	0	34	-1.0	-51.87	300.37	-2.72	-54.59
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005056500	0	38	-1.0	-51.70	316.85	1.77	-49.93
CN(CCNC(=O)C1C2CCCC21)C(=O)C1=CC(=O)[N-]O1	REAL250005056501	0	39	-1.0	-51.72	316.65	2.60	-49.12
CN(CCNC(=O)CCC1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056502	0	41	-1.0	-51.50	337.99	2.52	-48.98
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C=CN1	REAL250005056503	0	36	-1.0	-53.69	308.85	0.40	-53.29
CC=C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056504	0	35	-1.0	-51.87	296.57	0.95	-50.92
CC1CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056505	0	38	-1.0	-51.69	315.15	1.56	-50.13
CN(CCNC(=O)C=C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056506	0	36	-1.0	-52.01	307.42	1.67	-50.34
CCC(=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)CC	REAL250005056507	0	41	-1.0	-50.02	337.23	2.44	-47.58
CC(C)=C(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056508	0	35	-1.0	-51.85	306.36	0.81	-51.04
CN(CCNC(=O)C1=CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056509	0	36	-1.0	-51.55	304.84	1.54	-50.01
CN(CCNC(=O)C1=CN(C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056510	0	36	-1.0	-54.32	313.42	1.55	-52.77
CN(CCNC(=O)C1=CN(C)C=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056511	0	35	-1.0	-54.56	308.96	1.18	-53.38
CN(CCNC(=O)C1CCCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056512	0	39	-1.0	-54.94	321.94	1.03	-53.91
CN(CCNC(=O)C1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056513	0	38	-1.0	-50.92	315.38	1.64	-49.28
CCC(C)OCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056514	0	41	-1.0	-54.94	343.87	1.53	-53.41
CN(CCNC(=O)[C@H]1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056515	0	38	-1.0	-50.62	315.94	1.66	-48.96
CN(CCNC(=O)[C@@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056516	0	36	-1.0	-55.78	304.03	0.22	-55.56
C#CCCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056517	0	39	-1.0	-52.49	338.53	2.52	-49.97
CN(CCNC(=O)COC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056518	0	41	-1.0	-54.79	337.13	1.12	-53.67
CCNC(=O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056519	0	38	-1.0	-63.62	325.83	-0.43	-64.05
COC(C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056520	0	41	-1.0	-51.78	342.97	0.28	-51.50
CN(CCNC(=O)C1=CN=CN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056521	0	33	-1.0	-52.04	293.58	0.00	-52.04
CN(CCNC(=O)C1=CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056522	0	37	-1.0	-51.91	310.98	-0.23	-52.14
CN(CCNC(=O)CC1=COC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056523	0	35	-1.0	-54.38	309.00	0.60	-53.78
CC1=NC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005056524	0	34	-1.0	-51.19	304.39	-2.72	-53.91
C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056525	0	37	-1.0	-53.85	319.16	-4.60	-58.45
CC1=CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005056526	0	35	-1.0	-55.12	308.69	0.76	-54.36
CCC(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056527	0	40	-1.0	-51.25	324.71	1.69	-49.56
C#CCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056528	0	36	-1.0	-54.51	317.04	1.74	-52.77
C=CC(C)(O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056529	0	39	-1.0	-51.03	323.29	-0.52	-51.55
CN(CCNC(=O)CC(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005056530	0	38	-1.0	-54.74	315.24	-1.23	-55.97
COC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005056531	0	39	-1.0	-52.92	331.05	1.47	-51.45
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)NC=C1	REAL250005056532	0	36	-1.0	-53.88	308.73	0.46	-53.42
CN(CCNC(=O)C1=CN=NN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056533	0	34	-1.0	-52.07	298.55	-1.70	-53.77
CN(CCNC(=O)C1COC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056534	0	34	-1.0	-61.64	300.39	-3.77	-65.41
CCCCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056535	0	43	-1.0	-51.36	348.93	2.53	-48.83
CN(CCNC(=O)C1CC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056536	0	41	-1.0	-51.38	329.36	1.94	-49.44
CC(C)[C@@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056537	0	38	-1.0	-51.33	314.21	-0.56	-51.89
CN(CCNC(=O)C1=CN(C)N=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056538	0	34	-1.0	-52.77	304.72	-1.71	-54.48
CN(CCNC(=O)C1=NN(C)C=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056539	0	34	-1.0	-58.19	304.15	0.39	-57.80
CN(CCNC(=O)C1CC1(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005056540	0	32	-1.0	-51.46	291.77	0.60	-50.86
CCC(C)=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056541	0	38	-1.0	-50.61	319.47	1.73	-48.88
CC(C)C#CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056542	0	36	-1.0	-51.77	317.65	1.70	-50.07
CN(CCNC(=O)CC1(O)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056543	0	39	-1.0	-51.74	322.96	-0.17	-51.91
CC1=CNN=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056544	0	35	-1.0	-53.56	304.91	-0.88	-54.44
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005056545	0	39	-1.0	-52.12	325.13	2.43	-49.69
CN(CCNC(=O)C#CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056546	0	34	-1.0	-52.02	307.32	1.87	-50.15
CN(CCNC(=O)C#CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056547	0	39	-1.0	-51.55	337.79	2.23	-49.32
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1=CC(=O)[N-]O1	REAL250005056548	0	34	-1.0	-54.19	307.73	0.79	-53.40
COCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056549	0	35	-1.0	-51.06	301.93	-1.25	-52.31
CN(CCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056550	0	32	-1.0	-51.54	278.78	0.44	-51.10
CN(CCNC(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056551	0	35	-1.0	-51.50	294.73	0.93	-50.57
CN(CCNC(=O)C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056552	0	38	-1.0	-51.42	311.05	1.54	-49.88
CN(CCNC(=O)C1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056553	0	39	-1.0	-53.19	320.30	-0.20	-53.39
CN(CCNC(=O)C1=NN(C)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056554	0	34	-1.0	-51.50	303.97	-1.91	-53.41
CCC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056555	0	43	0.0	-68.27	334.29	1.40	-66.87
CC1COC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056556	0	39	-1.0	-55.32	325.65	0.83	-54.49
CN(CCNC(=O)[C@]12C[C@H]1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL250005056557	0	39	-1.0	-51.77	323.35	2.26	-49.51
CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056558	0	36	-1.0	-59.78	310.30	-2.45	-62.23
CCC[N@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056559	0	43	0.0	-72.43	343.07	1.80	-70.63
CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056559	1	43	0.0	-72.46	342.81	1.78	-70.68
CN(CCNC(=O)CCC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056560	0	43	-1.0	-51.45	344.99	2.13	-49.32
CN(CCNC(=O)C1=CC=NC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056561	0	33	-1.0	-50.14	295.90	0.07	-50.07
CN(CCNC(=O)CC1=CC=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056562	0	35	-1.0	-55.77	309.02	0.79	-54.98
CN(CCNC(=O)C1=NC=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056563	0	33	-1.0	-56.43	296.47	-0.55	-56.98
CCC(C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056564	0	43	-1.0	-51.55	347.05	2.38	-49.17
CN(CCNC(=O)C1=CC=CN=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056565	0	33	-1.0	-52.28	295.92	-0.88	-53.16
CC1OCCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056566	0	39	-1.0	-54.24	318.92	-0.26	-54.50
CN(CCNC(=O)C1(C)CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056567	0	39	-1.0	-51.33	320.48	-0.53	-51.86
CCC(CC)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056568	0	43	-1.0	-51.20	342.20	2.28	-48.92
CCC(C)C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056569	0	43	-1.0	-50.84	339.84	2.18	-48.66
CCCC(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056570	0	43	-1.0	-51.53	347.86	2.25	-49.28
CCC1(C)CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056571	0	41	-1.0	-50.75	332.44	2.31	-48.44
COCC(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056572	0	41	-1.0	-53.70	339.42	0.14	-53.56
CN(CCNC(=O)C1CCC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056573	0	38	-1.0	-52.38	317.79	1.62	-50.76
CN(CCNC(=O)CCC1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056574	0	41	-1.0	-51.58	337.72	2.37	-49.21
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005056575	0	34	-1.0	-49.16	300.87	0.09	-49.07
CC[N@H+](C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056576	0	43	0.0	-74.65	343.94	1.61	-73.04
CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056576	1	43	0.0	-74.70	343.94	1.60	-73.10
CC1=CON=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056577	0	34	-1.0	-51.59	301.18	-0.10	-51.69
CN(CCNC(=O)CN1N=CN=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056578	0	33	-1.0	-59.94	298.58	-1.17	-61.11
CCCC[C@@H](C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056579	0	43	-1.0	-51.35	348.92	2.53	-48.82
CCC(C)(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056580	0	43	-1.0	-50.30	335.67	2.04	-48.26
CC(C)C(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056581	0	43	-1.0	-51.00	333.44	1.85	-49.15
C=CC(C)(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056582	0	41	-1.0	-50.09	330.11	1.95	-48.14
CN(CCNC(=O)CN1N=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056583	0	34	-1.0	-58.77	303.87	-1.55	-60.32
C=CCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056584	0	38	-1.0	-52.02	324.06	1.78	-50.24
CCC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056585	0	40	-1.0	-51.55	320.92	1.41	-50.14
CCCC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056586	0	43	-1.0	-51.63	342.41	2.17	-49.46
CN(CCNC(=O)C1(C(N)=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056587	0	36	-1.0	-49.81	316.47	-3.02	-52.83
CN(CCNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005056588	0	29	-1.0	-48.74	263.60	-5.00	-53.74
CC1=NOC=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056589	0	34	-1.0	-54.57	300.83	-0.01	-54.58
CN(CCNC(=O)C1(C)CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056590	0	39	-1.0	-51.78	321.96	1.97	-49.81
COC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005056591	0	41	-1.0	-54.81	336.62	0.98	-53.83
CC1CC1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056592	0	38	-1.0	-52.10	320.31	1.87	-50.23
C=CC(C)(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056593	0	41	-1.0	-51.05	329.56	2.47	-48.58
CN(CCNC(=O)C[C@H]1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056594	0	39	-1.0	-54.12	322.20	-0.30	-54.42
CCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056595	0	38	-1.0	-51.74	321.78	1.64	-50.10
CN(CCNC(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056596	0	37	-1.0	-51.40	306.69	0.91	-50.49
CN(CCNC(=O)CC1=NNC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056597	0	34	-1.0	-59.34	302.88	-0.49	-59.83
CN(CCNC(=O)CC1=NN=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056597	1	34	-1.0	-66.47	301.49	0.06	-66.41
C=C(C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056598	0	38	-1.0	-51.22	324.18	1.66	-49.56
CN(CCNC(=O)C1=CC=NS1)C(=O)C1=CC(=O)[N-]O1	REAL250005056599	0	31	-1.0	-50.73	290.61	-0.40	-51.13
CN(CCNC(=O)CC(C)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005056600	0	34	-1.0	-57.85	300.16	0.64	-57.21
CCCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056601	0	41	-1.0	-51.46	343.40	2.42	-49.04
CCC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056602	0	41	-1.0	-51.43	343.05	2.66	-48.77
CC(C)C1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056603	0	41	-1.0	-51.34	334.14	1.97	-49.37
C=C1CC(C)(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056604	0	39	-1.0	-50.99	326.25	2.00	-48.99
CN(CCNC(=O)C1(CF)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056605	0	35	-1.0	-50.13	300.98	1.13	-49.00
CN(CCNC(=O)C1CC2(CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056606	0	39	-1.0	-51.13	327.35	2.33	-48.80
CCCCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056607	0	43	-1.0	-51.66	354.25	2.78	-48.88
CC(C)C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056608	0	40	-1.0	-50.81	321.82	1.55	-49.26
CC1CCC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056609	0	41	-1.0	-51.35	331.95	2.15	-49.20
C#CCOCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056610	0	37	-1.0	-52.26	329.57	0.26	-52.00
C#CCOC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056611	0	37	-1.0	-57.41	328.40	1.24	-56.17
CN(CCNC(=O)C(C)(C)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005056612	0	38	-1.0	-63.47	318.28	-1.49	-64.96
CN(CCNC(=O)C1(C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056613	0	39	-1.0	-51.63	320.19	2.62	-49.01
COC1CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056614	0	39	-1.0	-51.07	328.11	-0.10	-51.17
CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005056615	0	36	-1.0	-57.21	315.00	-2.98	-60.19
CC[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056616	0	43	0.0	-68.35	333.88	1.43	-66.92
CN(CCNC(=O)C1(CF)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056617	0	38	-1.0	-50.68	317.13	1.53	-49.15
CC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056618	0	38	-1.0	-51.56	321.31	1.86	-49.70
CC(C)CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056619	0	43	-1.0	-51.55	350.32	2.51	-49.04
CN(CCNC(=O)CN1C=NC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056620	0	34	-1.0	-62.94	303.27	1.52	-61.42
CN(CCNC(=O)CCNC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005056621	0	37	-1.0	-62.43	321.99	-4.81	-67.24
CN(CCNC(=O)C1=NSC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056622	0	31	-1.0	-50.88	290.13	-0.56	-51.44
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005056623	0	41	-1.0	-51.32	334.12	2.34	-48.98
CC1CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CO1	REAL250005056624	0	39	-1.0	-53.71	323.41	-0.20	-53.91
CN(CCNC(=O)C1CC12CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005056625	0	36	-1.0	-51.91	311.23	1.89	-50.02
CN(CCNC(=O)CC1=CNC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056626	0	35	-1.0	-60.62	306.78	0.33	-60.29
CN(CCNC(=O)CC1=CN=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056626	1	35	-1.0	-58.93	307.64	0.12	-58.81
C=CCC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056627	0	41	-1.0	-51.42	335.85	2.00	-49.42
CN(CCNC(=O)C1CC12CCC2)C(=O)C1=CC(=O)[N-]O1	REAL250005056628	0	39	-1.0	-51.52	325.83	2.36	-49.16
CC1=CNC=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056629	0	36	-1.0	-57.36	309.36	0.49	-56.87
CN(CCNC(=O)C1=NN(C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056630	0	35	-1.0	-54.57	309.27	-0.24	-54.81
CN(CCNC(=O)C1(F)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056631	0	38	-1.0	-48.25	318.36	1.57	-46.68
CN(CCNC(=O)C1=CN=CN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056632	0	35	-1.0	-53.29	303.44	1.08	-52.21
CN(C)C(=O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056633	0	38	-1.0	-64.10	322.76	0.68	-63.42
CN(CCNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056634	0	39	-1.0	-51.69	332.34	2.69	-49.00
COCCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056635	0	41	-1.0	-54.10	339.61	0.04	-54.06
CCC(C)(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056636	0	43	-1.0	-51.55	336.85	1.88	-49.67
COCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056637	0	39	-1.0	-54.33	335.73	-0.04	-54.37
COCC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056638	0	41	-1.0	-50.61	338.29	0.11	-50.50
CN(CCNC(=O)[C@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056639	0	36	-1.0	-55.53	305.08	0.19	-55.34
CN(CCNC(=O)CCC(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005056640	0	34	-1.0	-53.45	302.41	0.71	-52.74
CN(CCNC(=O)C1=CC(F)=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056641	0	33	-1.0	-54.98	296.95	-0.18	-55.16
CN(CCNC(=O)CC1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056642	0	38	-1.0	-51.61	319.79	1.69	-49.92
CN(CCNC(=O)C1(CCF)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056643	0	38	-1.0	-51.16	328.50	1.78	-49.38
CN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)C1=CC(=O)[N-]O1	REAL250005056644	0	37	-1.0	-53.62	314.67	-0.35	-53.97
CN(CCNC(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056645	0	35	-1.0	-51.48	296.27	1.01	-50.47
CN(CCNC(=O)C1=CNC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056646	0	33	-1.0	-57.96	290.64	-0.18	-58.14
CC(CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005056647	0	41	-1.0	-50.95	336.14	2.47	-48.48
CN(CCNC(=O)C1=CSN=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056648	0	30	-1.0	-50.32	285.63	-1.66	-51.98
CN(CCNC(=O)C1(C)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056649	0	41	-1.0	-51.50	329.33	2.06	-49.44
CN(CCNC(=O)C1=CN=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056650	0	31	-1.0	-52.15	282.66	-3.32	-55.47
CNC(=O)NCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056651	0	37	-1.0	-53.43	321.78	-4.00	-57.43
C=CCCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056652	0	39	-1.0	-54.93	337.14	1.36	-53.57
C=CCOC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056653	0	39	-1.0	-55.23	335.52	1.27	-53.96
CN(CCNC(=O)CCCC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005056654	0	38	-1.0	-63.33	327.44	-2.71	-66.04
CC1=NNC=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056655	0	35	-1.0	-56.09	303.85	-0.99	-57.08
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005056656	0	34	-1.0	-51.66	298.27	-2.34	-54.00
CC1=NNN=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056656	1	34	-1.0	-49.59	299.76	-2.40	-51.99
CCCC(OC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056657	0	41	-1.0	-53.51	342.39	1.34	-52.17
C=C(C)C(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056658	0	41	-1.0	-51.37	333.23	1.82	-49.55
CC(CC(N)=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056659	0	38	-1.0	-51.92	321.27	-2.89	-54.81
CN(CCNC(=O)C1CCNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL250005056660	0	36	-1.0	-52.43	307.18	-2.61	-55.04
C=CC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056661	0	38	-1.0	-51.71	315.45	1.31	-50.40
CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056662	0	41	0.0	-69.05	329.78	1.44	-67.61
CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056662	1	41	0.0	-70.13	324.45	0.94	-69.19
CN(CCNC(=O)[C@H]1CCCN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056662	1	40	-1.0	-53.33	329.64	-0.88	-54.21
C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056663	0	35	-1.0	-51.48	300.15	1.11	-50.37
CN(CCNC(=O)C1(C)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056664	0	38	-1.0	-51.50	311.92	1.45	-50.05
CCC(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056665	0	34	-1.0	-52.65	296.03	0.47	-52.18
CN(CCNC(=O)CCCF)C(=O)C1=CC(=O)[N-]O1	REAL250005056666	0	34	-1.0	-54.50	296.34	0.58	-53.92
CC1=COC=C1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056667	0	35	-1.0	-54.97	305.64	0.62	-54.35
C[C@H]1C[C@@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056668	0	35	-1.0	-51.59	299.90	1.09	-50.50
CN(CCNC(=O)C1(C)C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056669	0	39	-1.0	-51.21	322.27	1.96	-49.25
CN(CCNC(=O)C1=NN(C)N=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056670	0	33	-1.0	-53.20	298.86	-2.34	-55.54
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005056671	0	35	-1.0	-55.08	303.31	0.11	-54.97
CC(C)C(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056672	0	37	-1.0	-52.86	314.51	0.97	-51.89
C=CC(C)C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056673	0	41	-1.0	-50.44	336.32	2.12	-48.32
CCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005056674	0	41	-1.0	-51.68	333.37	2.05	-49.63
CC#CCCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056675	0	39	-1.0	-55.29	338.86	2.70	-52.59
CN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)C1=CC(=O)[N-]O1	REAL250005056676	0	37	-1.0	-50.95	314.41	-0.17	-51.12
CN(CCNC(=O)CCCC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056677	0	41	-1.0	-51.99	342.87	2.79	-49.20
CN(CCNC(=O)C1CCC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056678	0	41	-1.0	-51.61	331.52	1.85	-49.76
CC1=COC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL250005056679	0	35	-1.0	-51.47	309.77	0.68	-50.79
C=CC(CC)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056680	0	41	-1.0	-51.58	339.80	2.25	-49.33
CN(CCNC(=O)C(C)(C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056681	0	41	-1.0	-51.97	329.58	2.12	-49.85
CN(CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056682	0	39	-1.0	-51.52	323.29	2.28	-49.24
CN(CCNC(=O)CC1=CON=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056683	0	34	-1.0	-56.23	303.25	0.03	-56.20
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005056684	0	43	-1.0	-50.15	333.73	1.94	-48.21
CN(CCNC(=O)C1=NNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056685	0	31	-1.0	-49.98	281.17	-3.00	-52.98
CN(CCNC(=O)C1=CN=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056685	1	31	-1.0	-52.22	280.01	-2.95	-55.17
CN(CCNC(=O)C=CC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005056686	0	33	-1.0	-53.11	298.22	-3.67	-56.78
CN(CCNC(=O)C1=NC(N)=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056687	0	33	-1.0	-49.49	297.15	-1.41	-50.90
COC(=O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056688	0	34	-1.0	-59.92	300.20	0.65	-59.27
C#CCSCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056689	0	34	-1.0	-56.22	318.56	1.52	-54.70
CSC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056690	0	33	-1.0	-50.90	303.88	0.58	-50.32
CN(CCNC(=O)C1(CO)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056691	0	39	-1.0	-52.18	319.75	-1.24	-53.42
CN(CCNC(=O)CCC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005056692	0	35	-1.0	-52.87	305.94	-3.50	-56.37
C=CCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056693	0	39	-1.0	-52.18	335.00	2.22	-49.96
CN(CCNC(=O)COC(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005056694	0	32	-1.0	-53.86	292.58	-0.61	-54.47
CN(CCNC(=O)C1=CCCS1)C(=O)C1=CC(=O)[N-]O1	REAL250005056695	0	34	-1.0	-51.34	305.10	1.19	-50.15
CC1=NOC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056696	0	36	-1.0	-61.10	313.62	0.32	-60.78
CN(CCNC(=O)C(=O)NC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056697	0	36	-1.0	-48.33	317.14	-1.79	-50.12
CN(CCNC(=O)C1=CC(N)=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056698	0	34	-1.0	-52.06	301.33	-2.84	-54.90
CN(CCNC(=O)C1CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056699	0	36	-1.0	-50.78	310.80	1.27	-49.51
CN(CCNC(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056700	0	33	-1.0	-55.29	286.59	-0.84	-56.13
CCCC(O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056701	0	41	-1.0	-55.19	341.92	-0.40	-55.59
CN(CCNC(=O)C(C)(C)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005056702	0	38	-1.0	-51.03	323.72	1.09	-49.94
CN(CCNC(=O)C1(Cl)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056703	0	32	-1.0	-48.66	294.83	0.98	-47.68
CN(CCNC(=O)C1=CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056704	0	34	-1.0	-50.19	296.10	-0.47	-50.66
CN(CCNC(=O)C1(CO)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056705	0	37	-1.0	-55.92	311.57	-3.95	-59.87
CC(C)=CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056706	0	41	-1.0	-51.36	340.84	2.39	-48.97
CN(CCNC(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056707	0	33	-1.0	-51.86	285.61	-1.84	-53.70
CC1CCC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL250005056708	0	39	-1.0	-56.03	325.39	1.01	-55.02
CN(CCNC(=O)C1=NNC=C1N)C(=O)C1=CC(=O)[N-]O1	REAL250005056709	0	34	-1.0	-52.56	298.85	-3.52	-56.08
CN(CCNC(=O)C1=C(N)C=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056709	1	34	-1.0	-51.39	297.45	-3.51	-54.90
CN(CCNC(=O)C=CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005056710	0	33	-1.0	-55.38	292.93	-3.08	-58.46
CC1=NNC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL250005056711	0	34	-1.0	-49.04	303.01	-1.05	-50.09
CC1=NN=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL250005056711	1	34	-1.0	-51.86	303.47	-0.76	-52.62
CN(CCNC(=O)C1=COC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056712	0	32	-1.0	-57.43	291.14	-2.98	-60.41
CN(CCNC(=O)C1=COC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL250005056712	1	31	-2.0	-88.18	289.01	-4.64	-92.82
CC=CC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056713	0	36	-1.0	-51.66	313.97	-1.06	-52.72
CCCC[C@H](C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056714	0	43	-1.0	-51.38	348.67	2.51	-48.87
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056715	0	40	0.0	-70.06	321.06	0.79	-69.27
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005056715	1	39	-1.0	-52.19	315.47	-1.62	-53.81
CCC=C(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056716	0	35	-1.0	-48.15	307.10	1.09	-47.06
CCC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056717	0	35	-1.0	-51.61	302.92	1.04	-50.57
CN(CCNC(=O)C1CNC(=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056718	0	36	-1.0	-57.39	309.39	-2.76	-60.15
CN(CCNC(=O)C1=NON=C1N)C(=O)C1=CC(=O)[N-]O1	REAL250005056719	0	32	-1.0	-47.17	290.44	-2.34	-49.51
CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056720	0	35	-1.0	-60.84	305.07	-4.90	-65.74
CN(CCNC(=O)C1=CN=CS1)C(=O)C1=CC(=O)[N-]O1	REAL250005056721	0	31	-1.0	-52.42	290.55	-0.90	-53.32
CN(CCNC(=O)CCN=[N+]=[N-])C(=O)C1=CC(=O)[N-]O1	REAL250005056722	0	33	-1.0	-50.58	298.39	-3.71	-54.29
C#CCOCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056723	0	34	-1.0	-57.95	308.61	0.53	-57.42
CN(CCNC(=O)CC1=NN=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056724	0	33	-1.0	-60.21	298.39	-5.17	-65.38
CN(CCNC(=O)C1CCCS1)C(=O)C1=CC(=O)[N-]O1	REAL250005056725	0	36	-1.0	-51.25	312.68	1.30	-49.95
COC(C)(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056726	0	41	-1.0	-53.91	330.63	0.86	-53.05
CC(O)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056727	0	38	-1.0	-52.43	321.60	-2.07	-54.50
CN(CCNC(=O)CN1C=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056728	0	36	-1.0	-56.00	314.43	2.00	-54.00
C#CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056729	0	33	-1.0	-51.48	295.54	0.96	-50.52
CC(=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005056730	0	41	-1.0	-50.39	336.30	2.22	-48.17
COC1(CC(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056731	0	39	-1.0	-54.73	327.61	-0.07	-54.80
CC[C@H](C)[C@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056732	0	41	-1.0	-51.93	331.79	0.19	-51.74
CC=CC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056733	0	36	-1.0	-51.72	317.00	1.72	-50.00
CN(CCNC(=O)C1=NC=NN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056734	0	34	-1.0	-49.03	299.73	0.41	-48.62
CN(CCNC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056735	0	39	-1.0	-53.52	322.70	-1.81	-55.33
CN(CCNC(=O)[C@@H]1CC=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056736	0	39	-1.0	-50.76	322.28	2.13	-48.63
COCC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056737	0	36	-1.0	-53.95	315.18	-0.68	-54.63
CN(CCNC(=O)C1CC2CC2C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056738	0	39	-1.0	-51.04	320.48	2.18	-48.86
CC1CN(CC(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056739	0	40	-1.0	-53.86	331.75	-1.40	-55.26
CC1C[NH+](CC(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056739	1	41	0.0	-72.51	335.11	1.48	-71.03
CCC(C)(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056740	0	38	-1.0	-49.28	315.56	-2.20	-51.48
C#CCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056741	0	36	-1.0	-50.99	313.41	1.53	-49.46
C=CC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056742	0	33	-1.0	-52.02	292.26	-1.92	-53.94
CN(CCNC(=O)CCCN=[N+]=[N-])C(=O)C1=CC(=O)[N-]O1	REAL250005056743	0	36	-1.0	-54.40	319.90	-2.91	-57.31
CN(CCNC(=O)C1OCC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056744	0	39	-1.0	-55.55	325.13	0.51	-55.04
CN(CCNC(=O)C12CC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005056745	0	36	-1.0	-51.90	306.97	1.63	-50.27
CCCC(C)=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056746	0	41	-1.0	-50.37	340.97	2.51	-47.86
C=C[C@H](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056747	0	38	-1.0	-51.16	319.27	1.56	-49.60
CN(CCNC(=O)C=CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056748	0	36	-1.0	-51.54	313.81	1.86	-49.68
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005056749	0	34	-1.0	-50.89	300.33	0.20	-50.69
CC(C)CC(=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056750	0	39	-1.0	-47.40	329.55	0.99	-46.41
CC1CC1(C#N)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056751	0	36	-1.0	-48.37	313.97	1.39	-46.98
CCC(C#N)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056752	0	35	-1.0	-50.41	307.86	0.62	-49.79
CN(CCNC(=O)[C@@H]1CNC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005056753	0	34	-1.0	-64.01	301.24	-3.27	-67.28
CN(CCNC(=O)C1C2CCC21)C(=O)C1=CC(=O)[N-]O1	REAL250005056754	0	36	-1.0	-51.55	301.47	1.77	-49.78
C=C1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056755	0	36	-1.0	-50.72	307.55	1.40	-49.32
C[C@H]1C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005056756	0	38	-1.0	-51.21	317.29	1.64	-49.57
CC[N@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056757	0	40	0.0	-72.15	321.57	1.05	-71.10
CC[N@@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056757	1	40	0.0	-72.21	321.32	1.04	-71.17
CCN(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056757	1	39	-1.0	-52.11	319.73	-1.21	-53.32
CN(CCNC(=O)C1CC2(C1)N=N2)C(=O)C1=CC(=O)[N-]O1	REAL250005056758	0	35	-1.0	-51.53	307.89	-4.09	-55.62
CC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056759	0	32	-1.0	-56.31	279.40	-2.48	-58.79
CC(=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056760	0	30	-1.0	-48.18	270.00	-1.20	-49.38
CN(CCNC(=O)C1=CNN=C1N)C(=O)C1=CC(=O)[N-]O1	REAL250005056761	0	34	-1.0	-56.45	297.67	-2.53	-58.98
CC(NC(N)=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056762	0	37	-1.0	-53.77	319.41	-4.58	-58.35
CCOC(=O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056763	0	37	-1.0	-59.66	322.06	1.56	-58.10
CN(CCNC(=O)C1=CC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL250005056764	0	32	-2.0	-89.13	294.09	-3.64	-92.77
CC1=CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005056765	0	36	-1.0	-57.66	312.80	0.41	-57.25
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005056766	0	39	-1.0	-51.34	323.43	2.24	-49.10
CN(CCNC(=O)CCCC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005056767	0	35	-1.0	-60.36	310.61	0.96	-59.40
CN(CCNC(=O)C1(C#N)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056768	0	33	-1.0	-50.89	298.61	0.69	-50.20
C=C1CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056769	0	36	-1.0	-51.06	308.50	1.46	-49.60
CN(CCNC(=O)[C@]12C[C@H]1[C@H](O)C2)C(=O)C1=CC(=O)[N-]O1	REAL250005056770	0	37	-1.0	-55.75	319.19	-1.76	-57.51
CN(CCNC(=O)C12CC(C1)CO2)C(=O)C1=CC(=O)[N-]O1	REAL250005056771	0	37	-1.0	-50.70	311.60	-0.36	-51.06
CCC=CC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056772	0	39	-1.0	-51.60	338.09	2.48	-49.12
CN(CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(N)=O	REAL250005056773	0	37	-1.0	-58.39	318.31	-2.83	-61.22
CN(CCNC(=O)C1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL250005056774	0	31	-2.0	-92.74	288.58	-5.09	-97.83
CN(CCNC(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056775	0	32	-1.0	-49.04	285.55	0.49	-48.55
CN(CCNC(=O)C(C)(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056776	0	39	-1.0	-50.01	323.78	-1.62	-51.63
CC1=NC=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL250005056777	0	34	-1.0	-51.34	304.39	-2.61	-53.95
COC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056778	0	38	-1.0	-55.25	312.71	0.23	-55.02
CC(CC#N)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056779	0	35	-1.0	-51.80	306.98	0.71	-51.09
CCC1CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056780	0	38	-1.0	-50.96	316.09	1.87	-49.09
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)(C)O	REAL250005056781	0	41	-1.0	-54.16	327.81	-0.54	-54.70
CN(CCNC(=O)C1COC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005056782	0	33	-1.0	-63.16	296.59	0.06	-63.10
CN(CCNC(=O)C12CC(C1)OC2)C(=O)C1=CC(=O)[N-]O1	REAL250005056783	0	37	-1.0	-51.52	313.21	-0.56	-52.08
CC(O)C1CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056784	0	39	-1.0	-53.84	324.73	0.03	-53.81
C[C@@H]1C[C@@]2(C(=O)NCCN(C)C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005056785	0	39	-1.0	-51.67	328.79	2.28	-49.39
CN(CCNC(=O)CN1C=NC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056786	0	34	-1.0	-62.94	303.27	1.52	-61.42
CC(C[NH+](C)C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056787	0	43	0.0	-68.63	341.75	1.74	-66.89
C=CC(C)(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056788	0	36	-1.0	-50.18	308.92	-2.16	-52.34
CCC(C)(CO)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056789	0	41	-1.0	-51.00	331.98	-1.79	-52.79
CN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056790	0	41	0.0	-77.75	327.87	1.42	-76.33
CN(C)C1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056790	1	40	-1.0	-50.07	328.40	-1.38	-51.45
CCCC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056791	0	38	-1.0	-51.39	324.42	1.82	-49.57
CC=C(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056792	0	32	-1.0	-48.42	286.80	0.35	-48.07
CCC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005056793	0	43	-1.0	-51.77	344.01	2.25	-49.52
C[C@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056794	0	40	0.0	-71.68	321.69	0.79	-70.89
C[C@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005056794	1	39	-1.0	-52.19	316.09	-1.59	-53.78
CC(C)C(CO)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056795	0	41	-1.0	-51.12	330.17	-1.32	-52.44
CCOC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056796	0	36	-1.0	-50.86	314.90	-0.09	-50.95
CCN1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056797	0	40	-1.0	-51.48	321.96	-1.82	-53.30
CC[N@@H+]1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056797	1	41	0.0	-70.60	328.76	1.11	-69.49
CC[N@H+]1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056797	1	41	0.0	-71.68	336.08	1.41	-70.27
CCC(C)=C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056798	0	41	-1.0	-50.81	331.63	2.32	-48.49
COC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005056799	0	39	-1.0	-49.32	322.77	0.12	-49.20
C=CCCC(=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056800	0	37	-1.0	-47.39	325.62	0.96	-46.43
CC(O)CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056801	0	41	-1.0	-54.87	343.06	-1.29	-56.16
CC(=O)OCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056802	0	34	-1.0	-54.27	304.33	0.62	-53.65
CC(=O)NCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056803	0	38	-1.0	-61.94	328.76	-2.01	-63.95
CN(CCNC(=O)C1=CNC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056804	0	33	-1.0	-60.37	295.02	-3.42	-63.79
CN(CCNC(=O)C(C)(C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056805	0	43	0.0	-77.43	331.41	1.58	-75.85
CN(CCNC(=O)C(F)(F)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005056806	0	32	-1.0	-50.20	289.63	-2.09	-52.29
CN(CCNC(=O)C#CC1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056807	0	37	-1.0	-51.73	328.27	2.38	-49.35
CC(=O)C=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056808	0	34	-1.0	-51.57	305.08	0.16	-51.41
CN(CCNC(=O)COC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056809	0	36	-1.0	-56.05	313.20	0.78	-55.27
CN(CCNC(=O)C1=NC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056810	0	32	-1.0	-51.67	286.71	-1.29	-52.96
CN(CCNC(=O)C=CC1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056811	0	39	-1.0	-51.41	330.24	2.39	-49.02
CN(CCNC(=O)C1=NN=CS1)C(=O)C1=CC(=O)[N-]O1	REAL250005056812	0	30	-1.0	-50.83	286.57	-2.00	-52.83
CN(CCNC(=O)C1CC(=O)CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056813	0	35	-1.0	-57.39	306.89	-0.74	-58.13
CC(C)NC(=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056814	0	38	-1.0	-48.46	327.65	-1.84	-50.30
CC1=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005056815	0	37	-1.0	-51.17	311.85	0.33	-50.84
CN(CCNC(=O)C1=NC=CN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056816	0	35	-1.0	-51.68	304.72	0.42	-51.26
CC(CO)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056817	0	35	-1.0	-50.97	298.39	-2.94	-53.91
CN(CCNC(=O)C1=CON=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056818	0	31	-1.0	-51.68	281.98	-0.63	-52.31
CN(CCNC(=O)CCCCO)C(=O)C1=CC(=O)[N-]O1	REAL250005056819	0	38	-1.0	-52.75	322.67	-2.11	-54.86
CN(CCNC(=O)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056820	0	34	-1.0	-48.07	301.33	0.38	-47.69
CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056821	0	34	-1.0	-61.45	301.21	-3.73	-65.18
CN(CCNC(=O)CC1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056822	0	36	-1.0	-55.60	308.53	-2.31	-57.91
CN(CCNC(=O)C1CCC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005056823	0	35	-1.0	-55.73	298.76	1.02	-54.71
CN(CCNC(=O)C(F)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056824	0	38	-1.0	-51.08	318.88	1.72	-49.36
CN(CCNC(=O)C1CC(C)(C)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005056825	0	39	-1.0	-54.91	322.60	0.35	-54.56
CN(CCNC(=O)[C@@H]1C[C@H]1CF)C(=O)C1=CC(=O)[N-]O1	REAL250005056826	0	35	-1.0	-54.13	306.56	1.23	-52.90
CN(CCNC(=O)C(F)=C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056827	0	36	-1.0	-48.82	313.05	1.75	-47.07
CCC(CO)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056828	0	38	-1.0	-51.05	315.48	-2.24	-53.29
CN(CCNC(=O)CC(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056829	0	39	-1.0	-55.13	331.21	-0.44	-55.57
CC(=CC1CC1)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056830	0	39	-1.0	-51.79	327.49	2.48	-49.31
CN(CCNC(=O)[C@@H]1C[C@@H]1C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005056831	0	33	-1.0	-63.08	295.75	0.73	-62.35
CN(CCNC(=O)CC1=CN=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056832	0	34	-1.0	-57.93	303.69	-2.49	-60.42
CN(CCNC(=O)C1=COCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056833	0	34	-1.0	-51.99	294.95	-0.48	-52.47
CN(CCNC(=O)CCC(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005056834	0	41	-1.0	-53.01	338.13	-1.56	-54.57
CC1=CC=C(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL250005056835	0	36	-1.0	-53.57	312.67	0.34	-53.23
CN(CCNC(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056836	0	33	-1.0	-50.96	287.67	-2.63	-53.59
CN(CCNC(=O)C1=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056837	0	33	-1.0	-52.40	289.26	1.02	-51.38
CC1CC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005056838	0	36	-1.0	-48.49	313.38	-0.72	-49.21
CC(CF)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056839	0	34	-1.0	-49.95	293.60	0.47	-49.48
CC(Cl)=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056840	0	32	-1.0	-53.14	294.11	0.80	-52.34
CC=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056841	0	32	-1.0	-51.81	281.83	0.28	-51.53
CCC(F)(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056842	0	34	-1.0	-47.00	300.01	0.58	-46.42
CN(CCNC(=O)C1(C)CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005056843	0	35	-1.0	-50.72	302.74	1.14	-49.58
CN(CCNC(=O)[C@@H]1CCC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005056844	0	35	-1.0	-64.09	306.37	0.95	-63.14
CN(CCNC(=O)C=CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005056845	0	32	-1.0	-53.97	288.01	0.40	-53.57
CN(CCNC(=O)C(F)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056846	0	38	-1.0	-52.26	327.61	2.02	-50.24
CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056847	0	34	-1.0	-61.63	300.41	-3.78	-65.41
CN(CCNC(=O)CCCCC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005056848	0	38	-1.0	-55.48	332.11	1.74	-53.74
CN(CCNC(=O)C1(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056849	0	36	-1.0	-55.73	311.76	-2.41	-58.14
CN(CCNC(=O)C1=CC=NO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056850	0	31	-1.0	-49.59	282.10	-0.62	-50.21
CN(CCNC(=O)C1CCC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056852	0	36	-1.0	-59.76	310.30	-2.45	-62.21
C[C@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056853	0	32	-1.0	-52.69	279.05	-2.46	-55.15
CN(CCNC(=O)C1=CC=C(F)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005056854	0	32	-1.0	-48.37	294.04	0.09	-48.28
CON=CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056855	0	32	-1.0	-53.94	290.72	-1.75	-55.69
C#CCC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056856	0	39	-1.0	-50.94	330.15	1.98	-48.96
CN(CCNC(=O)C1CC(C)(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056857	0	38	-1.0	-50.52	322.43	1.63	-48.89
CCC(C)(OC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056858	0	41	-1.0	-49.03	330.57	0.14	-48.89
CC(C)[C@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056859	0	38	-1.0	-51.83	315.34	-0.94	-52.77
C#CC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056860	0	34	-1.0	-50.48	305.05	1.51	-48.97
CN(CCNC(=O)[C@H]1CCC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005056861	0	35	-1.0	-59.47	306.57	0.92	-58.55
C=CC=CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056862	0	36	-1.0	-52.51	316.42	1.64	-50.87
C#CC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005056863	0	37	-1.0	-50.33	320.04	1.94	-48.39
CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056864	0	41	0.0	-70.30	323.77	0.92	-69.38
CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056864	1	41	0.0	-68.48	329.29	1.33	-67.15
CN(CCNC(=O)[C@@H]1CCCN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056864	1	40	-1.0	-53.58	328.99	-0.84	-54.42
CN(CCNC(=O)C1CC=CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056865	0	37	-1.0	-54.76	314.07	0.89	-53.87
CN(CCNC(=O)C1=CC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056866	0	39	-1.0	-51.62	331.06	2.18	-49.44
C#C[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056867	0	34	-1.0	-54.65	301.64	1.59	-53.06
CN(CCNC(=O)C1(N=[N+]=[N-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056868	0	34	-1.0	-47.80	302.56	-2.48	-50.28
CCC(CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)OC	REAL250005056869	0	41	-1.0	-54.01	336.69	1.24	-52.77
CN(CCNC(=O)C1=CSC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056870	0	31	-1.0	-51.99	290.63	-1.04	-53.03
CC=C(CC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056871	0	38	-1.0	-51.42	317.60	1.66	-49.76
CN(CCNC(=O)CC12CC(C1)C2)C(=O)C1=CC(=O)[N-]O1	REAL250005056872	0	39	-1.0	-52.62	321.60	2.37	-50.25
CCC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005056873	0	41	-1.0	-52.97	330.78	-1.46	-54.43
COC(F)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056874	0	32	-1.0	-54.83	286.88	-1.49	-56.32
CN(CCNC(=O)C1(C#N)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056875	0	36	-1.0	-51.62	313.41	1.09	-50.53
CN(CCNC(=O)C=C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056876	0	39	-1.0	-51.65	323.42	2.24	-49.41
CN(CCNC(=O)CC(C)(C)C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005056877	0	38	-1.0	-50.55	320.74	1.17	-49.38
COCC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056878	0	36	-1.0	-53.07	312.40	-3.15	-56.22
CN(CCNC(=O)[C@@H]1CC1(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005056879	0	32	-1.0	-53.43	291.53	0.58	-52.85
CN(CCNC(=O)[C@@H]1C[C@H]1C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005056880	0	33	-1.0	-53.60	299.77	0.85	-52.75
C=C(C)CCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056881	0	41	-1.0	-52.14	345.67	2.45	-49.69
CN(CCNC(=O)[C@H]1C[C@@H](O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056882	0	36	-1.0	-55.06	307.02	-2.48	-57.54
CN(CCNC(=O)CC1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056883	0	41	-1.0	-52.02	339.21	2.36	-49.66
CN(CCNC(=O)C1=C(Cl)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056884	0	33	-1.0	-54.48	306.06	1.50	-52.98
CN(CCNC(=O)[C@]12C[C@H]1[C@H](F)C2)C(=O)C1=CC(=O)[N-]O1	REAL250005056885	0	36	-1.0	-55.19	313.83	1.72	-53.47
CN(CCNC(=O)C1=CNC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005056886	0	32	-1.0	-52.92	292.31	-2.76	-55.68
CC(C)[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056887	0	41	-1.0	-51.52	340.38	2.41	-49.11
CN(CCNC(=O)COCCO)C(=O)C1=CC(=O)[N-]O1	REAL250005056888	0	36	-1.0	-58.17	314.20	-3.13	-61.30
CN(CCNC(=O)C(C)(C)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005056889	0	37	-1.0	-49.78	311.69	0.99	-48.79
CC(C)[C@@H](O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056890	0	41	-1.0	-54.86	334.86	-0.47	-55.33
CN(CCNC(=O)C(C)(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005056891	0	38	-1.0	-50.94	316.04	-2.29	-53.23
C=CCC(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056892	0	38	-1.0	-51.19	320.44	1.58	-49.61
CC1CCCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056893	0	41	-1.0	-51.59	331.78	2.17	-49.42
CN(CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)C1=CC(=O)[N-]O1	REAL250005056894	0	39	-1.0	-51.79	321.79	2.21	-49.58
CN(CCNC(=O)C1(C)CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056895	0	38	-1.0	-51.40	319.38	1.55	-49.85
C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056896	0	35	-1.0	-51.48	300.15	1.11	-50.37
CN(CCNC(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005056897	0	35	-1.0	-49.29	298.74	-2.90	-52.19
CSC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056898	0	36	-1.0	-49.00	322.74	1.51	-47.49
CN(CCNC(=O)C1=NOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056899	0	33	-1.0	-48.98	292.30	-1.48	-50.46
CC(C#N)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056900	0	35	-1.0	-51.71	305.80	0.70	-51.01
CN(CCNC(=O)C[N@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056901	0	41	0.0	-69.86	333.24	1.80	-68.06
CN(CCNC(=O)C[N@@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056901	1	41	0.0	-69.59	332.85	1.77	-67.82
CN(CCNC(=O)CN(C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056901	1	40	-1.0	-52.32	327.13	-0.63	-52.95
CN(CCNC(=O)CCOC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056902	0	39	-1.0	-51.03	334.15	0.49	-50.54
CN(CCNC(=O)CCCCCO)C(=O)C1=CC(=O)[N-]O1	REAL250005056903	0	41	-1.0	-55.01	344.17	-1.34	-56.35
CC(CCO)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056904	0	38	-1.0	-55.42	317.35	-2.36	-57.78
CN(CCNC(=O)C(F)=CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056905	0	36	-1.0	-48.13	318.35	1.90	-46.23
CN(CCNC(=O)CC1CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056906	0	38	-1.0	-52.27	322.81	1.82	-50.45
CN(CCNC(=O)[C@H](O)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005056907	0	32	-1.0	-52.17	285.10	-2.32	-54.49
CN(CCNC(=O)C1(CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056908	0	39	-1.0	-51.65	333.33	-1.72	-53.37
CC(C)C(C)(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056909	0	41	-1.0	-49.59	330.06	-1.48	-51.07
CN(CCNC(=O)C1(O)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056910	0	36	-1.0	-51.63	301.28	-2.14	-53.77
CN(CCNC(=O)C(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056911	0	36	-1.0	-51.32	310.78	-0.93	-52.25
CN(CCNC(=O)CN1C=NN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056912	0	34	-1.0	-63.42	303.75	2.44	-60.98
C=C(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056913	0	35	-1.0	-51.53	302.78	0.87	-50.66
CN(CCNC(=O)C(C)(C)C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005056914	0	35	-1.0	-57.95	306.08	0.48	-57.47
CCSCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056915	0	35	-1.0	-54.01	312.78	0.99	-53.02
CC(=O)OCCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056916	0	37	-1.0	-57.49	325.26	0.65	-56.84
CC(C)=C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056917	0	38	-1.0	-51.06	311.81	1.67	-49.39
CN(CCNC(=O)CCC1(C)N=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056918	0	37	-1.0	-49.60	321.66	-3.71	-53.31
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)[N-]O1	REAL250005056919	0	31	-2.0	-92.38	288.58	-3.17	-95.55
CN(CCNC(=O)COC1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056920	0	37	-1.0	-56.25	320.63	-1.42	-57.67
C[C@@H]1C[C@]2(C(=O)NCCN(C)C(=O)C3=CC(=O)[N-]O3)C[C@H]12	REAL250005056921	0	39	-1.0	-51.48	326.89	2.23	-49.25
CNC(=O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056922	0	35	-1.0	-64.08	304.34	-1.28	-65.36
CN(CCNC(=O)C1=NN=CN1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056923	0	34	-1.0	-52.65	300.12	1.07	-51.58
C[C@@H]1OCC[C@@H]1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056924	0	39	-1.0	-53.58	319.01	-0.28	-53.86
CN(CCNC(=O)C1CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056925	0	35	-1.0	-51.89	300.94	1.01	-50.88
CCC(O)C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056926	0	41	-1.0	-54.93	335.85	-0.43	-55.36
CN(CCNC(=O)CC1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056927	0	36	-1.0	-58.13	313.35	-3.03	-61.16
CN(CCNC(=O)C(O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056928	0	39	-1.0	-51.81	322.59	-0.08	-51.89
CN(CCNC(=O)CC1C[NH+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056929	0	41	0.0	-73.67	335.29	1.22	-72.45
CN(CCNC(=O)C1CC(C)(O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056930	0	39	-1.0	-54.91	325.91	-1.88	-56.79
C=CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056931	0	32	-1.0	-51.99	281.17	0.22	-51.77
CN(CCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056932	0	37	0.0	-72.90	303.84	0.39	-72.51
CN(C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056932	1	36	-1.0	-52.08	301.76	-2.00	-54.08
CN(CCNC(=O)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005056933	0	29	-1.0	-60.77	267.72	-0.66	-61.43
CN(CCNC(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005056934	0	32	-1.0	-55.02	284.98	0.49	-54.53
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056935	0	40	0.0	-70.06	321.06	0.79	-69.27
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005056935	1	39	-1.0	-52.19	315.47	-1.62	-53.81
CN(CCNC(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005056936	0	31	-1.0	-50.59	274.85	-0.19	-50.78
CN(CCNC(=O)C1=CC(F)=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056937	0	32	-1.0	-50.95	292.33	-1.75	-52.70
CN(CCNC(=O)C1C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056938	0	36	-1.0	-51.15	303.82	1.46	-49.69
CCC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)COC1	REAL250005056939	0	39	-1.0	-50.17	321.69	-0.33	-50.50
C#CC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056940	0	36	-1.0	-53.99	312.51	1.35	-52.64
CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056941	0	35	-1.0	-60.84	305.10	-4.90	-65.74
CC1CCN1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056942	0	40	-1.0	-53.65	332.08	-1.44	-55.09
CC1CC[N@@H+]1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056942	1	41	0.0	-70.49	329.37	1.19	-69.30
CC1CC[N@H+]1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056942	1	41	0.0	-71.09	335.17	1.47	-69.62
CN(CCNC(=O)C=CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056943	0	41	0.0	-77.67	339.81	1.61	-76.06
CN(CCNC(=O)C1=CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056944	0	34	-1.0	-51.16	303.88	1.23	-49.93
CO[C@H](C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056945	0	35	-1.0	-54.96	300.51	-0.28	-55.24
CC(=O)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056946	0	36	-1.0	-51.52	312.95	0.35	-51.17
CN(CCNC(=O)C1CCCC1O)C(=O)C1=CC(=O)[N-]O1	REAL250005056947	0	39	-1.0	-54.37	322.15	-1.63	-56.00
C[C@@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056948	0	32	-1.0	-56.30	279.14	-2.50	-58.80
CC[NH+](CC)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056949	0	43	0.0	-70.44	334.94	1.45	-68.99
CN(CCNC(=O)CN1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056950	0	37	-1.0	-53.59	309.37	-2.43	-56.02
CN(CCNC(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056950	1	38	0.0	-73.08	313.69	0.79	-72.29
CC(C)C(O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056951	0	41	-1.0	-54.85	334.86	-0.45	-55.30
CN(CCNC(=O)C1COC(=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056952	0	35	-1.0	-56.92	304.16	0.04	-56.88
CC(O)C(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056953	0	38	-1.0	-54.81	312.57	-1.23	-56.04
CN(CCNC(=O)C1(O)CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056954	0	37	-1.0	-53.03	310.46	-4.09	-57.12
CCC(C)(C#N)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056955	0	38	-1.0	-49.43	322.85	0.96	-48.47
C=C1CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056956	0	33	-1.0	-51.59	292.34	1.01	-50.58
CN(CCNC(=O)CC1CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056957	0	39	-1.0	-52.37	324.29	2.19	-50.18
CN(CCNC(=O)CC1OCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056958	0	37	-1.0	-54.10	315.39	-0.87	-54.97
COC(OC)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056959	0	36	-1.0	-52.13	305.73	-1.32	-53.45
CN(CCNC(=O)CC1(C#N)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056960	0	36	-1.0	-61.88	315.99	1.27	-60.61
COC(=O)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056961	0	37	-1.0	-51.66	323.72	0.47	-51.19
CN(CCNC(=O)C1=CCCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056962	0	37	-1.0	-52.30	310.72	-0.21	-52.51
CN(CCNC(=O)C(O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056963	0	41	-1.0	-51.74	328.96	0.08	-51.66
CN(CCNC(=O)C1(C)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056964	0	36	-1.0	-51.36	303.69	-1.24	-52.60
CN(CCNC(=O)C1=CCCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056965	0	37	-1.0	-50.37	312.39	0.36	-50.01
CN(CCNC(=O)C1(C)CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005056966	0	39	-1.0	-49.66	322.32	-0.13	-49.79
CN(CCNC(=O)C1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056967	0	33	-1.0	-58.42	292.86	-3.89	-62.31
CN(CCNC(=O)[C@@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056968	0	33	-1.0	-58.67	293.79	-3.64	-62.31
CN(CCNC(=O)C1=CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056969	0	39	-1.0	-51.42	319.66	2.21	-49.21
CCC[C@H](O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056970	0	38	-1.0	-51.99	321.04	-0.85	-52.84
CC1CC(C)(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056971	0	41	-1.0	-51.61	327.37	1.92	-49.69
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005056972	0	40	-1.0	-52.79	327.86	-1.70	-54.49
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005056972	1	41	0.0	-71.16	333.29	1.30	-69.86
CN(CCNC(=O)[C@H]1CC1(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005056973	0	32	-1.0	-54.34	290.01	0.62	-53.72
CN(CCNC(=O)CC1=CNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056974	0	35	-1.0	-56.89	308.12	-0.88	-57.77
CN(CCNC(=O)C1(C)CC(=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056975	0	37	-1.0	-52.49	315.61	0.59	-51.90
CN(CCNC(=O)CC1=CNC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056976	0	36	-1.0	-54.89	312.98	0.53	-54.36
CCCC(C)(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056977	0	41	-1.0	-49.23	337.06	-1.43	-50.66
CCOC(C)(C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056978	0	41	-1.0	-55.36	334.56	1.15	-54.21
CN(CCNC(=O)CC1CC(=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056979	0	37	-1.0	-56.96	318.90	0.81	-56.15
CN(CCNC(=O)CC1CSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056980	0	36	-1.0	-55.04	315.95	1.36	-53.68
CN(CCNC(=O)C1(F)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056981	0	35	-1.0	-49.68	301.10	0.97	-48.71
CN(CCNC(=O)C1=CN=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005056982	0	32	-1.0	-55.45	285.58	-0.49	-55.94
CC1=NOC(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL250005056983	0	33	-1.0	-51.04	298.94	-2.59	-53.63
CCOC(=O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056984	0	37	-1.0	-59.66	322.06	1.56	-58.10
CN(CCNC(=O)C1CC(=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056985	0	34	-1.0	-53.37	297.72	0.03	-53.34
CN(CCNC(=O)CN1C=CN=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005056986	0	34	-1.0	-65.84	302.34	-1.21	-67.05
C=CC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005056987	0	39	-1.0	-51.10	321.96	2.47	-48.63
CN(CCNC(=O)C1(O)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056988	0	34	-1.0	-53.44	293.78	-4.87	-58.31
CCC(C)C(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056989	0	41	-1.0	-51.91	331.80	0.19	-51.72
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005056990	0	36	-1.0	-52.42	311.03	1.91	-50.51
CC1=CC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056991	0	33	-1.0	-52.09	293.56	1.12	-50.97
CN(C)C(=O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056992	0	35	-1.0	-48.28	300.52	-1.49	-49.77
CC(=O)C1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005056993	0	37	-1.0	-49.71	324.98	0.82	-48.89
CCCC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056994	0	38	-1.0	-51.99	321.04	-0.85	-52.84
CCCCC(O)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056995	0	41	-1.0	-51.97	342.54	-0.07	-52.04
CN(CCNC(=O)CSC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056996	0	36	-1.0	-53.61	323.37	1.82	-51.79
CCC(O)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056997	0	38	-1.0	-55.36	320.42	-1.18	-56.54
CNC(=O)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056998	0	38	-1.0	-52.95	327.87	-2.01	-54.96
CN(CCNC(=O)CCCCF)C(=O)C1=CC(=O)[N-]O1	REAL250005056999	0	37	-1.0	-51.94	317.84	1.36	-50.58
CN(CCNC(=O)C1=CSN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005057000	0	31	-1.0	-52.89	289.29	-0.40	-53.29
CN(CCNC(=O)C1CCC(=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005057001	0	37	-1.0	-53.18	315.28	0.63	-52.55
CN(CCNC(=O)[C@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005057002	0	33	-1.0	-59.76	292.72	-3.99	-63.75
CN(CCNC(=O)CN1C=NC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005057003	0	34	-1.0	-62.94	303.27	1.52	-61.42
COC1(C(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057004	0	36	-1.0	-53.96	307.29	0.19	-53.77
CN(CCNC(=O)C1CSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005057005	0	33	-1.0	-51.15	294.86	0.60	-50.55
CN(CCNC(=O)C1=CN=C(N)O1)C(=O)C1=CC(=O)[N-]O1	REAL250005057006	0	33	-1.0	-51.97	297.55	-5.27	-57.24
CN(CCNC(=O)CC1(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005057007	0	39	-1.0	-51.15	329.96	-1.67	-52.82
CN(CCNC(=O)C1CCC=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005057008	0	37	-1.0	-54.28	313.50	1.30	-52.98
CN(CCNC(=O)C1(O)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005057009	0	39	-1.0	-52.47	320.13	-1.47	-53.94
CCC1(C(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005057010	0	39	-1.0	-51.97	319.78	-0.91	-52.88
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCCO1	REAL250005057011	0	39	-1.0	-47.69	319.83	0.14	-47.55
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(=O)N1	REAL250005057012	0	33	-1.0	-56.88	294.94	-3.89	-60.77
C[C@@H]1OCC[C@@H]1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005057013	0	39	-1.0	-51.84	320.58	-0.17	-52.01
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(F)C1	REAL250005057014	0	35	-1.0	-47.94	302.93	1.07	-46.87
CCC(O)C(C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005057015	0	41	-1.0	-52.95	335.35	-0.69	-53.64
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC(=O)N1	REAL250005057016	0	36	-1.0	-55.66	316.34	-2.91	-58.57
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(O)C1CCC1	REAL250005057017	0	39	-1.0	-49.41	319.75	-0.73	-50.14
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NO1	REAL250005057018	0	31	-1.0	-47.99	282.98	-0.59	-48.58
CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057019	0	41	-1.0	-47.73	326.81	2.31	-45.42
CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057020	0	38	-1.0	-48.07	306.46	1.52	-46.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)CC1	REAL250005057021	0	39	-1.0	-52.17	317.29	-0.57	-52.74
CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057022	0	41	-1.0	-51.06	323.95	2.11	-48.95
CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057023	0	38	-1.0	-51.33	303.66	1.29	-50.04
CC(NC(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057024	0	39	-1.0	-55.90	314.43	-0.79	-56.69
C=CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057025	0	39	-1.0	-51.24	315.80	1.85	-49.39
CCC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057026	0	40	-1.0	-50.51	321.28	1.64	-48.87
CC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057027	0	37	-1.0	-50.85	300.99	0.82	-50.03
CC(C)N(CCCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005057028	0	41	-1.0	-48.84	333.90	2.42	-46.42
COCC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057029	0	41	-1.0	-53.38	334.00	1.00	-52.38
CCCC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057030	0	43	-1.0	-50.31	342.78	2.41	-47.90
CC(C)C(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057031	0	43	-1.0	-50.09	340.83	2.31	-47.78
CC(C)N(CCCNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005057032	0	38	-1.0	-49.78	316.63	-3.03	-52.81
C=CCC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057033	0	41	-1.0	-50.35	334.19	2.18	-48.17
CC(C)N(CCCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005057034	0	38	-1.0	-54.98	311.75	-1.28	-56.26
CC(C)N(CCCNC(=O)C(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005057035	0	41	-1.0	-51.65	332.08	-0.49	-52.14
CC(C)N(CCCNC(=O)[C@@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005057036	0	41	-1.0	-51.65	332.08	-0.49	-52.14
CC(C)N(CCCNC(=O)[C@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005057037	0	41	-1.0	-50.20	332.08	-0.49	-50.69
CC=CC(=O)NCCCN(C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057038	0	41	-1.0	-50.89	334.86	2.25	-48.64
COCC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057039	0	41	-1.0	-51.60	338.65	1.23	-50.37
CCCC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057040	0	43	-1.0	-48.27	347.42	2.60	-45.67
CC(C)C(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057041	0	43	-1.0	-46.39	343.45	2.48	-43.91
CCC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057042	0	40	-1.0	-48.42	325.92	1.83	-46.59
CC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057043	0	37	-1.0	-48.67	305.62	1.05	-47.62
CC(C)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005057044	0	41	-1.0	-48.38	335.29	2.54	-45.84
CC(C)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005057045	0	38	-1.0	-46.26	318.27	-2.59	-48.85
CC(C)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005057046	0	38	-1.0	-53.19	316.40	-1.06	-54.25
CC(C)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)O	REAL250005057047	0	41	-1.0	-51.01	329.55	-0.62	-51.63
CC(=O)C(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057048	0	39	-1.0	-45.24	324.74	1.20	-44.04
CC=CC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057049	0	41	-1.0	-48.67	338.38	2.41	-46.26
CC(C)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)O	REAL250005057050	0	41	-1.0	-47.94	333.50	-0.45	-48.39
C=CCC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057051	0	41	-1.0	-48.44	338.84	2.38	-46.06
CC(C)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005057052	0	38	-1.0	-56.78	325.39	1.51	-55.27
CC(C)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)O	REAL250005057053	0	41	-1.0	-50.94	331.93	-0.60	-51.54
C=CC(=O)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005057054	0	38	-1.0	-46.98	318.81	1.78	-45.20
CCCN(C(=O)CC)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057055	0	41	-1.0	-50.23	325.55	3.36	-46.87
CCCN(C(C)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057056	0	38	-1.0	-46.70	303.09	2.29	-44.41
CCCN(C(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057057	0	39	-1.0	-55.06	316.02	0.33	-54.73
CCCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC)C1	REAL250005057058	0	41	-1.0	-52.01	324.54	3.35	-48.66
CCCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(C)=O)C1	REAL250005057059	0	38	-1.0	-56.26	303.65	2.51	-53.75
CCCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)C1	REAL250005057060	0	39	-1.0	-60.31	314.41	0.44	-59.87
C=CC(=O)N1CCC(N(CCC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057061	0	39	-1.0	-55.75	314.88	3.01	-52.74
CCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057062	0	38	-1.0	-53.29	314.94	1.18	-52.11
CC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057063	0	35	-1.0	-53.40	294.34	0.37	-53.03
O=C(NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057064	0	39	-1.0	-52.94	325.87	1.97	-50.97
COCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057065	0	39	-1.0	-56.65	327.66	0.54	-56.11
CCCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057066	0	41	-1.0	-53.06	336.44	1.94	-51.12
CC(C)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057067	0	41	-1.0	-52.93	334.49	1.85	-51.08
NC(=O)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057068	0	36	-1.0	-50.63	310.28	-3.50	-54.13
C=CCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057069	0	39	-1.0	-53.46	327.85	1.72	-51.74
O=C(CO)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057070	0	36	-1.0	-58.29	305.41	-1.74	-60.03
CC(O)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057071	0	39	-1.0	-53.89	325.74	-0.96	-54.85
O=C(CCF)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057072	0	38	-1.0	-52.20	321.53	1.31	-50.89
C[C@@H](O)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057073	0	39	-1.0	-54.14	325.93	-0.94	-55.08
C[C@H](O)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057074	0	39	-1.0	-54.13	325.95	-0.95	-55.08
CC=CC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057075	0	39	-1.0	-53.22	328.51	1.78	-51.44
COCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057076	0	39	-1.0	-55.04	330.76	0.74	-54.30
CCCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057077	0	41	-1.0	-48.43	339.61	2.14	-46.29
CC(C)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057078	0	41	-1.0	-48.38	337.48	1.88	-46.50
CCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057079	0	38	-1.0	-48.66	318.11	1.37	-47.29
CC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057080	0	35	-1.0	-51.94	297.73	0.56	-51.38
O=C(NCCC1CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005057081	0	39	-1.0	-48.71	327.98	2.10	-46.61
NC(=O)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057082	0	36	-1.0	-48.84	310.34	-3.37	-52.21
O=C(CO)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057083	0	36	-1.0	-56.75	308.51	-1.54	-58.29
CC(O)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057084	0	39	-1.0	-53.70	324.53	-1.00	-54.70
CC(=O)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057085	0	37	-1.0	-48.18	317.75	0.43	-47.75
CC=CC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057086	0	39	-1.0	-51.96	330.87	1.92	-50.04
C[C@H](O)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057087	0	39	-1.0	-49.49	324.08	-0.97	-50.46
C=CCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057088	0	39	-1.0	-48.71	331.03	1.91	-46.80
N#CCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057089	0	36	-1.0	-59.88	317.50	1.03	-58.85
O=C(CCF)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057090	0	38	-1.0	-47.60	324.53	1.51	-46.09
C[C@@H](O)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057091	0	39	-1.0	-49.94	324.00	-1.01	-50.95
C=CC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057092	0	36	-1.0	-52.00	309.15	1.03	-50.97
CC(=O)N(C)CCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057093	0	40	-1.0	-48.03	318.01	0.07	-47.96
CC(=O)N1CCN(CCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057094	0	40	-1.0	-51.66	318.82	0.26	-51.40
CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057095	0	38	-1.0	-46.64	308.23	2.60	-44.04
CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057096	0	35	-1.0	-59.86	286.52	1.63	-58.23
CN(CC1CCN(C(=O)C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005057097	0	39	-1.0	-46.69	318.71	3.30	-43.39
COCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057098	0	39	-1.0	-63.56	321.21	1.91	-61.65
CCCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057099	0	41	-1.0	-46.44	329.73	3.36	-43.08
CC(C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057100	0	41	-1.0	-51.66	329.97	3.04	-48.62
CN(CC1CCN(C(=O)C(N)=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005057101	0	36	-1.0	-53.70	300.79	-2.20	-55.90
C=CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057102	0	39	-1.0	-51.22	322.07	3.05	-48.17
CN(CC1CCN(C(=O)CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005057103	0	36	-1.0	-57.52	300.27	-0.42	-57.94
CC(O)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057104	0	39	-1.0	-52.23	315.27	0.17	-52.06
CN(CC1CCN(C(=O)CCF)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005057105	0	38	-1.0	-50.36	316.80	2.66	-47.70
C[C@@H](O)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057106	0	39	-1.0	-51.81	316.40	0.19	-51.62
C[C@H](O)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057107	0	39	-1.0	-52.33	313.77	0.23	-52.10
CC=CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057108	0	39	-1.0	-60.06	320.82	3.12	-56.94
COCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057109	0	39	-1.0	-52.56	321.90	1.78	-50.78
CCCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057110	0	41	-1.0	-49.14	330.67	3.16	-45.98
CC(C)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057111	0	41	-1.0	-49.24	323.13	2.81	-46.43
CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057112	0	38	-1.0	-49.30	309.17	2.40	-46.90
CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057113	0	35	-1.0	-53.23	286.24	1.65	-51.58
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC1	REAL250005057114	0	39	-1.0	-53.03	317.88	3.19	-49.84
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(N)=O	REAL250005057115	0	36	-1.0	-48.95	301.98	-2.20	-51.15
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CO	REAL250005057116	0	36	-1.0	-53.99	299.63	-0.50	-54.49
CC(O)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057117	0	39	-1.0	-50.94	314.18	0.07	-50.87
CC(=O)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057118	0	37	-1.0	-47.77	308.86	1.62	-46.15
CC=CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057119	0	39	-1.0	-49.72	321.24	3.02	-46.70
C[C@H](O)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057120	0	39	-1.0	-54.73	313.72	0.02	-54.71
C=CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057121	0	39	-1.0	-49.39	322.09	2.94	-46.45
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC#N	REAL250005057122	0	36	-1.0	-57.57	308.63	2.07	-55.50
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCF	REAL250005057123	0	38	-1.0	-48.74	315.75	2.54	-46.20
C[C@@H](O)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057124	0	39	-1.0	-50.11	315.49	0.10	-50.01
C=CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057125	0	36	-1.0	-49.72	300.20	2.12	-47.60
CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057126	0	41	-1.0	-47.57	320.70	3.25	-44.32
CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057127	0	38	-1.0	-55.84	299.09	2.41	-53.43
CN(CC1CCN(C(=O)CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005057128	0	39	-1.0	-60.56	310.21	0.37	-60.19
CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057129	0	41	-1.0	-48.82	320.08	3.10	-45.72
CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057130	0	38	-1.0	-49.08	298.70	2.27	-46.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CO	REAL250005057131	0	39	-1.0	-53.63	310.54	0.20	-53.43
C=CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005057132	0	39	-1.0	-49.00	311.11	2.82	-46.18
CCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057133	0	35	-1.0	-54.27	289.74	0.80	-53.47
COCCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057134	0	39	-1.0	-52.92	323.40	-0.12	-53.04
CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057135	0	32	-1.0	-54.60	269.41	0.03	-54.57
O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005057136	0	36	-1.0	-49.92	299.66	1.53	-48.39
O=C(N[C@H]1CCCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005057137	0	39	-1.0	-49.91	315.39	2.01	-47.90
O=C(CC1CC1)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057138	0	39	-1.0	-50.27	320.70	2.34	-47.93
CC(C)(F)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057139	0	38	-1.0	-47.98	310.30	1.21	-46.77
COCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057140	0	36	-1.0	-57.83	302.45	0.19	-57.64
CCCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057141	0	38	-1.0	-49.89	311.23	1.56	-48.33
CC(C)CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057142	0	41	-1.0	-49.48	327.98	2.18	-47.30
CC1CC1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057143	0	39	-1.0	-49.84	320.87	2.19	-47.65
CCOCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057144	0	39	-1.0	-57.99	324.26	1.14	-56.85
CC(C)=CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057145	0	39	-1.0	-53.27	318.30	2.08	-51.19
CSCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057146	0	36	-1.0	-56.86	312.78	1.27	-55.59
CCCCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057147	0	41	-1.0	-49.95	332.73	2.35	-47.60
CC(C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057148	0	38	-1.0	-49.53	309.19	1.32	-48.21
CCC(C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057149	0	41	-1.0	-49.58	325.78	1.91	-47.67
COC(C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057150	0	39	-1.0	-49.11	318.57	0.66	-48.45
C=CCCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057151	0	39	-1.0	-53.80	324.06	2.13	-51.67
CC=C(C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057152	0	39	-1.0	-54.21	322.87	1.91	-52.30
CC1(C(=O)N2CCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057153	0	39	-1.0	-50.07	319.32	1.88	-48.19
C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057154	0	39	-1.0	-49.84	321.09	2.22	-47.62
CCC(F)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057155	0	38	-1.0	-50.67	316.08	1.55	-49.12
O=C(CCCF)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057156	0	38	-1.0	-52.84	317.81	1.71	-51.13
C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057157	0	39	-1.0	-49.86	320.90	2.21	-47.65
NC(=O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057158	0	33	-1.0	-48.28	282.27	-4.09	-52.37
CC(C)(C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057159	0	41	-1.0	-49.48	317.89	1.40	-48.08
C=CCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057160	0	36	-1.0	-54.22	302.59	1.34	-52.88
C[NH+](C)CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057161	0	41	0.0	-73.71	325.33	1.48	-72.23
CN(C)CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057161	1	40	-1.0	-54.59	323.23	-0.91	-55.50
C=CC(O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057162	0	37	-1.0	-54.38	308.05	-1.03	-55.41
O=C(N[C@H]1CCCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005057163	0	37	-1.0	-50.20	306.25	-0.74	-50.94
CO[C@H](C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057164	0	39	-1.0	-53.02	317.80	0.64	-52.38
CCC=CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057165	0	39	-1.0	-54.17	323.27	2.14	-52.03
O=C(CO)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057167	0	33	-1.0	-59.73	280.15	-2.09	-61.82
CC(O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057168	0	36	-1.0	-50.08	296.87	-1.57	-51.65
O=C(N[C@H]1CCCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005057169	0	36	-1.0	-47.80	306.47	1.63	-46.17
O=C(CCF)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057170	0	35	-1.0	-52.23	296.31	0.94	-51.29
O=C(C=CCF)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057171	0	36	-1.0	-56.55	308.36	1.50	-55.05
C#CCCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057172	0	37	-1.0	-53.44	317.00	2.09	-51.35
O=C(N[C@H]1CCCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005057173	0	37	-1.0	-54.87	305.44	0.31	-54.56
CC(C)(O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057174	0	39	-1.0	-49.96	310.16	-1.26	-51.22
CC1=CC1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057175	0	37	-1.0	-50.42	314.71	2.24	-48.18
C[C@@H](O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057176	0	36	-1.0	-54.59	296.41	-1.59	-56.18
O=C(C=CCO)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057177	0	37	-1.0	-57.98	313.29	-1.98	-59.96
O=C(N[C@H]1CCCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005057178	0	37	-1.0	-55.83	305.51	1.88	-53.95
CON=CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057179	0	36	-1.0	-55.74	311.07	-0.67	-56.41
O=C(N[C@H]1CCCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005057180	0	36	-1.0	-46.74	305.95	1.52	-45.22
CC=C(F)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057181	0	36	-1.0	-49.87	305.41	1.37	-48.50
CC(CO)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057182	0	39	-1.0	-48.91	320.23	-1.96	-50.87
C[C@H](O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057183	0	36	-1.0	-47.97	296.85	-1.54	-49.51
C=C1CC1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057184	0	37	-1.0	-49.58	313.06	2.11	-47.47
CC(CF)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057185	0	38	-1.0	-47.95	315.04	1.44	-46.51
C=C(C)CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057186	0	39	-1.0	-53.86	324.21	2.00	-51.86
CC=CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057187	0	36	-1.0	-54.68	302.19	1.39	-53.29
C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057188	0	39	-1.0	-49.84	321.09	2.22	-47.62
O=C(N[C@H]1CCCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005057189	0	37	-1.0	-45.98	309.40	-1.62	-47.60
O=C(CC1CC1)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057190	0	39	-1.0	-54.66	317.81	2.15	-52.51
CC(C)(F)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057191	0	38	-1.0	-51.05	313.27	1.29	-49.76
COCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057192	0	36	-1.0	-57.91	299.58	-0.03	-57.94
CCCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057193	0	38	-1.0	-54.18	308.19	1.28	-52.90
CC(C)CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057194	0	41	-1.0	-53.83	324.74	1.85	-51.98
CC1CC1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057195	0	39	-1.0	-54.04	318.49	1.96	-52.08
CCOCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057196	0	39	-1.0	-58.03	321.17	0.84	-57.19
CC(C)=CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057197	0	39	-1.0	-53.08	316.07	1.84	-51.24
CSCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057198	0	36	-1.0	-57.06	309.92	1.03	-56.03
CCCCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057199	0	41	-1.0	-54.35	329.52	2.05	-52.30
CC(C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057200	0	38	-1.0	-54.00	306.35	1.29	-52.71
CCC(C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057201	0	41	-1.0	-54.08	324.54	1.93	-52.15
COC(C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057202	0	39	-1.0	-57.98	318.52	0.73	-57.25
C=CCCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057203	0	39	-1.0	-54.01	320.84	1.83	-52.18
CC(C#N)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057204	0	36	-1.0	-62.55	305.79	0.90	-61.65
CC=C(C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057205	0	39	-1.0	-54.42	314.93	1.83	-52.59
CCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057206	0	35	-1.0	-54.24	286.61	0.52	-53.72
COCCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057207	0	39	-1.0	-53.44	320.20	-0.43	-53.87
CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057208	0	32	-1.0	-54.40	265.96	-0.31	-54.71
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057209	0	36	-1.0	-54.11	297.12	1.29	-52.82
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005057210	0	39	-1.0	-54.15	313.56	1.89	-52.26
NC(=O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057211	0	33	-1.0	-49.54	281.94	-4.14	-53.68
CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057212	0	41	-1.0	-53.94	325.03	1.76	-52.18
CC1(C(=O)N[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057213	0	39	-1.0	-53.95	315.14	1.99	-51.96
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057214	0	39	-1.0	-54.07	318.49	1.96	-52.11
CCC(F)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057215	0	38	-1.0	-54.30	314.64	1.42	-52.88
O=C(CCCF)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057216	0	38	-1.0	-57.43	314.62	1.40	-56.03
C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057217	0	39	-1.0	-54.03	318.49	1.96	-52.07
O=C(CO)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057218	0	33	-1.0	-59.63	277.06	-2.40	-62.03
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005057219	0	37	-1.0	-59.67	305.34	0.23	-59.44
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005057220	0	37	-1.0	-54.59	303.96	-0.98	-55.57
O=C(C=CCO)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057221	0	37	-1.0	-57.91	311.27	-2.22	-60.13
CCC=CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057222	0	39	-1.0	-54.04	321.47	1.97	-52.07
C#CCCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057223	0	37	-1.0	-53.83	313.97	1.80	-52.03
C=CC(O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057224	0	37	-1.0	-54.52	307.94	-0.89	-55.41
CC(O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057225	0	36	-1.0	-54.64	297.61	-1.52	-56.16
CC(=O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057226	0	34	-1.0	-49.01	289.36	-0.33	-49.34
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005057227	0	36	-1.0	-49.99	303.59	1.44	-48.55
CC=C(F)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057228	0	36	-1.0	-49.84	305.15	1.20	-48.64
CC(CO)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057229	0	39	-1.0	-53.24	316.75	-2.11	-55.35
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005057230	0	37	-1.0	-52.82	305.70	-1.69	-54.51
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005057231	0	37	-1.0	-54.85	307.07	1.81	-53.04
CC(CF)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057232	0	38	-1.0	-52.21	312.15	1.33	-50.88
CC=CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057233	0	36	-1.0	-54.16	300.18	1.13	-53.03
O=C(C=CCF)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057234	0	36	-1.0	-56.32	306.36	1.25	-55.07
C[C@H](O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057236	0	36	-1.0	-59.36	297.21	-1.50	-60.86
CON=CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057237	0	36	-1.0	-56.76	309.07	-0.90	-57.66
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057238	0	39	-1.0	-54.07	318.49	1.96	-52.11
CC(C)(O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057239	0	39	-1.0	-51.41	317.10	-2.06	-53.47
C=C(C)CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057240	0	39	-1.0	-54.08	321.13	1.71	-52.37
C=CCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057241	0	36	-1.0	-54.26	299.51	1.06	-53.20
C[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057242	0	41	0.0	-74.49	322.11	1.21	-73.28
CN(C)CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057242	1	40	-1.0	-54.88	320.02	-1.16	-56.04
N#CCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057243	0	33	-1.0	-64.43	286.05	0.20	-64.23
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005057244	0	36	-1.0	-58.82	303.59	1.44	-57.38
O=C(CCF)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057245	0	35	-1.0	-52.78	293.46	0.75	-52.03
CO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057246	0	39	-1.0	-57.80	319.38	0.68	-57.12
C[C@@H](O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057247	0	36	-1.0	-59.28	298.01	-1.54	-60.82
C=C1CC1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057248	0	37	-1.0	-53.83	310.95	1.95	-51.88
CC1=CC1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057249	0	37	-1.0	-54.25	312.11	2.01	-52.24
C=CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057250	0	33	-1.0	-54.30	278.45	0.26	-54.04
CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057251	0	35	-1.0	-54.29	286.86	0.62	-53.67
COCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057252	0	39	-1.0	-53.43	320.16	-0.45	-53.88
CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057253	0	32	-1.0	-54.38	266.55	-0.21	-54.59
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057254	0	36	-1.0	-54.13	297.01	1.25	-52.88
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005057255	0	39	-1.0	-54.38	313.15	1.88	-52.50
O=C(CC1CC1)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057256	0	39	-1.0	-54.55	317.80	2.16	-52.39
CC(C)(F)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057257	0	38	-1.0	-52.07	312.57	1.36	-50.71
COCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057258	0	36	-1.0	-57.88	299.58	-0.01	-57.89
CCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057259	0	38	-1.0	-54.21	307.99	1.25	-52.96
CC(C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057260	0	41	-1.0	-53.77	325.06	1.96	-51.81
CC1CC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057261	0	39	-1.0	-54.20	318.39	1.92	-52.28
CCOCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057262	0	39	-1.0	-58.13	321.07	0.81	-57.32
CC(C)=CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057263	0	39	-1.0	-53.02	316.30	1.86	-51.16
CSCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057264	0	36	-1.0	-57.07	309.92	1.06	-56.01
CCCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057265	0	41	-1.0	-54.29	329.49	2.03	-52.26
CC(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057266	0	38	-1.0	-53.88	306.44	1.30	-52.58
CCC(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057267	0	41	-1.0	-54.03	324.51	1.93	-52.10
COC(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057268	0	39	-1.0	-57.96	319.35	0.68	-57.28
C=CCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057269	0	39	-1.0	-54.15	320.80	1.81	-52.34
CC=C(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057270	0	39	-1.0	-54.45	315.18	1.93	-52.52
CC1(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057271	0	39	-1.0	-54.07	314.83	1.88	-52.19
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057272	0	39	-1.0	-54.19	318.38	1.92	-52.27
CCC(F)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057273	0	38	-1.0	-54.97	314.61	1.42	-53.55
O=C(CCCF)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057274	0	38	-1.0	-57.44	314.58	1.39	-56.05
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057275	0	39	-1.0	-54.09	318.56	1.96	-52.13
NC(=O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057276	0	33	-1.0	-49.62	282.18	-4.04	-53.66
CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057277	0	41	-1.0	-53.99	325.27	1.86	-52.13
C=CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057278	0	36	-1.0	-54.44	299.77	1.16	-53.28
C[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057279	0	41	0.0	-74.39	322.42	1.33	-73.06
CN(C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057279	1	40	-1.0	-54.64	320.34	-1.05	-55.69
C=CC(O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057280	0	37	-1.0	-54.03	308.21	-0.79	-54.82
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005057281	0	37	-1.0	-54.33	304.21	-0.87	-55.20
CO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057282	0	39	-1.0	-58.08	319.00	0.55	-57.53
CCC=CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057283	0	39	-1.0	-54.16	321.15	1.86	-52.30
O=C(CO)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057285	0	33	-1.0	-59.80	277.03	-2.41	-62.21
CC(O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057286	0	36	-1.0	-55.11	297.65	-1.51	-56.62
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005057287	0	36	-1.0	-58.04	303.62	1.47	-56.57
O=C(CCF)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057288	0	35	-1.0	-52.85	293.08	0.62	-52.23
O=C(C=CCF)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057289	0	36	-1.0	-56.68	306.25	1.22	-55.46
C#CCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057290	0	37	-1.0	-53.93	313.77	1.77	-52.16
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005057291	0	37	-1.0	-59.28	305.75	0.15	-59.13
CC(C)(O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057292	0	39	-1.0	-51.68	316.98	-2.11	-53.79
CC1=CC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057293	0	37	-1.0	-54.43	312.02	1.97	-52.46
C[C@@H](O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057294	0	36	-1.0	-54.63	297.62	-1.51	-56.14
O=C(C=CCO)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057295	0	37	-1.0	-58.24	311.17	-2.26	-60.50
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005057296	0	37	-1.0	-54.90	307.33	1.91	-52.99
CON=CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057297	0	36	-1.0	-56.79	309.36	-0.78	-57.57
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005057298	0	36	-1.0	-50.65	303.39	1.31	-49.34
CC=C(F)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057299	0	36	-1.0	-49.89	305.40	1.31	-48.58
CC(CO)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057300	0	39	-1.0	-53.36	316.62	-2.13	-55.49
C[C@H](O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057301	0	36	-1.0	-55.15	297.67	-1.53	-56.68
C=C1CC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057302	0	37	-1.0	-53.86	310.95	1.95	-51.91
CC(CF)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057303	0	38	-1.0	-52.34	312.02	1.29	-51.05
C=C(C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057304	0	39	-1.0	-54.14	321.02	1.68	-52.46
CC=CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057305	0	36	-1.0	-54.31	300.07	1.10	-53.21
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057306	0	39	-1.0	-54.19	318.38	1.92	-52.27
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005057307	0	37	-1.0	-52.79	305.70	-1.67	-54.46
O=C(CC1CC1)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057308	0	39	-1.0	-50.20	320.67	2.35	-47.85
CC(C)(F)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057309	0	38	-1.0	-46.75	309.65	1.19	-45.56
COCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057310	0	36	-1.0	-57.84	302.44	0.19	-57.65
CCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057311	0	38	-1.0	-49.86	311.22	1.57	-48.29
CC(C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057312	0	41	-1.0	-49.48	327.94	2.18	-47.30
CC1CC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057313	0	39	-1.0	-49.85	321.06	2.21	-47.64
CCOCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057314	0	39	-1.0	-58.02	324.30	1.15	-56.87
CC(C)=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057315	0	39	-1.0	-53.54	318.53	2.07	-51.47
CSCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057316	0	36	-1.0	-56.88	312.78	1.28	-55.60
CCCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057317	0	41	-1.0	-49.92	332.72	2.36	-47.56
CC(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057318	0	38	-1.0	-49.88	309.54	1.34	-48.54
CCC(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057319	0	41	-1.0	-49.76	328.19	1.99	-47.77
COC(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057320	0	39	-1.0	-48.60	318.71	0.65	-47.95
C=CCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057321	0	39	-1.0	-54.04	324.03	2.13	-51.91
CC(C#N)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057322	0	36	-1.0	-52.28	307.68	0.89	-51.39
CC=C(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057323	0	39	-1.0	-55.69	314.45	1.70	-53.99
CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057324	0	35	-1.0	-54.29	289.72	0.81	-53.48
COCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057325	0	39	-1.0	-52.90	323.39	-0.12	-53.02
CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057326	0	32	-1.0	-54.44	268.41	-0.03	-54.47
O=C(N[C@@H]1CCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005057327	0	36	-1.0	-49.86	299.51	1.54	-48.32
O=C(N[C@@H]1CCCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005057328	0	39	-1.0	-49.73	316.03	2.05	-47.68
NC(=O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057329	0	33	-1.0	-48.55	282.52	-4.00	-52.55
CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057330	0	41	-1.0	-49.94	319.39	1.46	-48.48
CC1(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057331	0	39	-1.0	-45.94	318.02	1.85	-44.09
C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057332	0	39	-1.0	-49.81	320.88	2.21	-47.60
CCC(F)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057333	0	38	-1.0	-50.79	316.39	1.58	-49.21
O=C(CCCF)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057334	0	38	-1.0	-52.87	317.81	1.71	-51.16
C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057335	0	39	-1.0	-49.84	321.06	2.21	-47.63
O=C(CO)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057336	0	33	-1.0	-59.74	280.18	-2.09	-61.83
O=C(N[C@@H]1CCCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005057337	0	37	-1.0	-54.55	305.90	0.22	-54.33
O=C(N[C@@H]1CCCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005057338	0	37	-1.0	-50.09	306.67	-0.73	-50.82
O=C(C=CCO)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057339	0	37	-1.0	-58.54	313.32	-1.99	-60.53
CCC=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057340	0	39	-1.0	-54.54	323.31	2.13	-52.41
C#CCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057341	0	37	-1.0	-53.48	317.00	2.09	-51.39
C=CC(O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057342	0	37	-1.0	-53.76	306.01	-0.85	-54.61
CC(O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057343	0	36	-1.0	-50.07	297.07	-1.59	-51.66
CC(=O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057344	0	34	-1.0	-48.63	289.66	-0.19	-48.82
O=C(N[C@@H]1CCCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005057345	0	36	-1.0	-44.53	305.93	1.53	-43.00
CC=C(F)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057346	0	36	-1.0	-49.86	307.05	1.39	-48.47
CC(CO)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057347	0	39	-1.0	-46.62	319.01	-2.01	-48.63
O=C(N[C@@H]1CCCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005057348	0	37	-1.0	-47.19	309.51	-1.63	-48.82
O=C(N[C@@H]1CCCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005057349	0	37	-1.0	-56.08	305.31	1.88	-54.20
CC(CF)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057350	0	38	-1.0	-48.33	313.96	1.36	-46.97
CC=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057351	0	36	-1.0	-54.70	302.22	1.37	-53.33
O=C(C=CCF)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057352	0	36	-1.0	-56.86	308.40	1.49	-55.37
C[C@H](O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057354	0	36	-1.0	-50.91	296.08	-1.57	-52.48
CON=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057355	0	36	-1.0	-55.99	311.10	-0.67	-56.66
C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057356	0	39	-1.0	-49.81	320.88	2.21	-47.60
CC(C)(O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057357	0	39	-1.0	-54.83	310.61	-1.23	-56.06
C=C(C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057358	0	39	-1.0	-53.69	324.28	2.01	-51.68
C=CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057359	0	36	-1.0	-54.43	302.63	1.35	-53.08
C[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057360	0	41	0.0	-73.69	325.31	1.48	-72.21
CN(C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057360	1	40	-1.0	-54.47	323.19	-0.93	-55.40
N#CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057361	0	33	-1.0	-63.33	289.18	0.49	-62.84
O=C(N[C@@H]1CCCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005057362	0	36	-1.0	-49.12	306.24	1.62	-47.50
O=C(CCF)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057363	0	35	-1.0	-52.19	296.31	0.95	-51.24
CO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057364	0	39	-1.0	-48.60	318.71	0.65	-47.95
C[C@@H](O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057365	0	36	-1.0	-47.99	296.92	-1.56	-49.55
C=C1CC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057366	0	37	-1.0	-49.59	313.03	2.11	-47.48
CC1=CC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057367	0	37	-1.0	-50.33	314.33	2.24	-48.09
C=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057368	0	33	-1.0	-54.76	280.50	0.51	-54.25
CCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057369	0	35	-1.0	-54.24	286.61	0.52	-53.72
COCCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057370	0	39	-1.0	-53.44	320.20	-0.43	-53.87
CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057371	0	32	-1.0	-54.40	265.96	-0.31	-54.71
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057372	0	36	-1.0	-54.11	297.12	1.29	-52.82
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005057373	0	39	-1.0	-54.15	313.56	1.89	-52.26
O=C(CC1CC1)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057374	0	39	-1.0	-54.66	317.81	2.15	-52.51
CC(C)(F)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057375	0	38	-1.0	-51.05	313.27	1.29	-49.76
COCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057376	0	36	-1.0	-57.91	299.58	-0.03	-57.94
CCCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057377	0	38	-1.0	-54.18	308.19	1.28	-52.90
CC(C)CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057378	0	41	-1.0	-53.83	324.74	1.85	-51.98
CC1CC1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057379	0	39	-1.0	-54.04	318.49	1.96	-52.08
CCOCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057380	0	39	-1.0	-58.03	321.17	0.84	-57.19
CC(C)=CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057381	0	39	-1.0	-53.08	316.07	1.84	-51.24
CSCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057382	0	36	-1.0	-57.06	309.92	1.03	-56.03
CCCCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057383	0	41	-1.0	-54.35	329.52	2.05	-52.30
CC(C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057384	0	38	-1.0	-54.00	306.35	1.29	-52.71
CCC(C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057385	0	41	-1.0	-54.08	324.54	1.93	-52.15
COC(C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057386	0	39	-1.0	-57.98	318.52	0.73	-57.25
C=CCCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057387	0	39	-1.0	-54.01	320.84	1.83	-52.18
CC=C(C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057388	0	39	-1.0	-54.42	314.93	1.83	-52.59
CC1(C(=O)N[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057389	0	39	-1.0	-53.95	315.14	1.99	-51.96
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057390	0	39	-1.0	-54.07	318.49	1.96	-52.11
CCC(F)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057391	0	38	-1.0	-54.30	314.64	1.42	-52.88
O=C(CCCF)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057392	0	38	-1.0	-57.43	314.62	1.40	-56.03
C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057393	0	39	-1.0	-54.03	318.49	1.96	-52.07
NC(=O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057394	0	33	-1.0	-49.54	281.94	-4.14	-53.68
CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057395	0	41	-1.0	-53.94	325.03	1.76	-52.18
C=CCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057396	0	36	-1.0	-54.26	299.51	1.06	-53.20
C[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057397	0	41	0.0	-74.49	322.11	1.21	-73.28
CN(C)CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057397	1	40	-1.0	-54.88	320.02	-1.16	-56.04
C=CC(O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057398	0	37	-1.0	-54.52	307.94	-0.89	-55.41
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005057399	0	37	-1.0	-54.59	303.96	-0.98	-55.57
CO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057400	0	39	-1.0	-57.80	319.38	0.68	-57.12
CCC=CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057401	0	39	-1.0	-54.04	321.47	1.97	-52.07
O=C(CO)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057403	0	33	-1.0	-59.63	277.06	-2.40	-62.03
CC(O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057404	0	36	-1.0	-54.64	297.61	-1.52	-56.16
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005057405	0	36	-1.0	-58.82	303.59	1.44	-57.38
O=C(CCF)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057406	0	35	-1.0	-52.78	293.46	0.75	-52.03
O=C(C=CCF)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057407	0	36	-1.0	-56.32	306.36	1.25	-55.07
C#CCCC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057408	0	37	-1.0	-53.83	313.97	1.80	-52.03
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005057409	0	37	-1.0	-59.67	305.34	0.23	-59.44
CC(C)(O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057410	0	39	-1.0	-51.41	317.10	-2.06	-53.47
CC1=CC1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057411	0	37	-1.0	-54.25	312.11	2.01	-52.24
C[C@@H](O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057412	0	36	-1.0	-59.28	298.01	-1.54	-60.82
O=C(C=CCO)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057413	0	37	-1.0	-57.91	311.27	-2.22	-60.13
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005057414	0	37	-1.0	-54.85	307.07	1.81	-53.04
CON=CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057415	0	36	-1.0	-56.76	309.07	-0.90	-57.66
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005057416	0	36	-1.0	-49.99	303.59	1.44	-48.55
CC=C(F)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057417	0	36	-1.0	-49.84	305.15	1.20	-48.64
CC(CO)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057418	0	39	-1.0	-53.24	316.75	-2.11	-55.35
C[C@H](O)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057419	0	36	-1.0	-59.36	297.21	-1.50	-60.86
C=C1CC1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057420	0	37	-1.0	-53.83	310.95	1.95	-51.88
CC(CF)C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057421	0	38	-1.0	-52.21	312.15	1.33	-50.88
C=C(C)CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057422	0	39	-1.0	-54.08	321.13	1.71	-52.37
CC=CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057423	0	36	-1.0	-54.16	300.18	1.13	-53.03
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057424	0	39	-1.0	-54.07	318.49	1.96	-52.11
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005057425	0	37	-1.0	-52.82	305.70	-1.69	-54.51
O=C(CC1CC1)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057426	0	39	-1.0	-50.27	320.70	2.34	-47.93
CC(C)(F)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057427	0	38	-1.0	-47.98	310.30	1.21	-46.77
COCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057428	0	36	-1.0	-57.83	302.45	0.19	-57.64
CCCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057429	0	38	-1.0	-49.89	311.23	1.56	-48.33
CC(C)CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057430	0	41	-1.0	-49.48	327.98	2.18	-47.30
CC1CC1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057431	0	39	-1.0	-49.84	320.87	2.19	-47.65
CCOCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057432	0	39	-1.0	-57.99	324.26	1.14	-56.85
CC(C)=CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057433	0	39	-1.0	-53.27	318.30	2.08	-51.19
CSCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057434	0	36	-1.0	-56.86	312.78	1.27	-55.59
CCCCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057435	0	41	-1.0	-49.95	332.73	2.35	-47.60
CC(C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057436	0	38	-1.0	-49.53	309.19	1.32	-48.21
CCC(C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057437	0	41	-1.0	-49.58	325.78	1.91	-47.67
COC(C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057438	0	39	-1.0	-49.11	318.57	0.66	-48.45
C=CCCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057439	0	39	-1.0	-53.80	324.06	2.13	-51.67
CC(C#N)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057440	0	36	-1.0	-56.32	307.46	0.89	-55.43
CC=C(C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057441	0	39	-1.0	-54.21	322.87	1.91	-52.30
CCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057442	0	35	-1.0	-54.27	289.74	0.80	-53.47
COCCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057443	0	39	-1.0	-52.92	323.40	-0.12	-53.04
CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057444	0	32	-1.0	-54.60	269.41	0.03	-54.57
O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005057445	0	36	-1.0	-49.92	299.66	1.53	-48.39
O=C(N[C@H]1CCCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005057446	0	39	-1.0	-49.91	315.39	2.01	-47.90
NC(=O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057447	0	33	-1.0	-48.28	282.27	-4.09	-52.37
CC(C)(C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057448	0	41	-1.0	-49.48	317.89	1.40	-48.08
CC1(C(=O)N2CCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057449	0	39	-1.0	-50.07	319.32	1.88	-48.19
C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057450	0	39	-1.0	-49.84	321.09	2.22	-47.62
CCC(F)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057451	0	38	-1.0	-50.67	316.08	1.55	-49.12
O=C(CCCF)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057452	0	38	-1.0	-52.84	317.81	1.71	-51.13
C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057453	0	39	-1.0	-49.86	320.90	2.21	-47.65
O=C(CO)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057454	0	33	-1.0	-59.73	280.15	-2.09	-61.82
O=C(N[C@H]1CCCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005057455	0	37	-1.0	-54.87	305.44	0.31	-54.56
O=C(N[C@H]1CCCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005057456	0	37	-1.0	-50.20	306.25	-0.74	-50.94
O=C(C=CCO)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057457	0	37	-1.0	-57.98	313.29	-1.98	-59.96
CCC=CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057458	0	39	-1.0	-54.17	323.27	2.14	-52.03
C#CCCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057459	0	37	-1.0	-53.44	317.00	2.09	-51.35
C=CC(O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057460	0	37	-1.0	-54.38	308.05	-1.03	-55.41
CC(O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057461	0	36	-1.0	-50.08	296.87	-1.57	-51.65
CC(=O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057462	0	34	-1.0	-48.53	289.96	-0.19	-48.72
O=C(N[C@H]1CCCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005057463	0	36	-1.0	-46.74	305.95	1.52	-45.22
CC=C(F)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057464	0	36	-1.0	-49.87	305.41	1.37	-48.50
CC(CO)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057465	0	39	-1.0	-48.91	320.23	-1.96	-50.87
O=C(N[C@H]1CCCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005057466	0	37	-1.0	-45.98	309.40	-1.62	-47.60
O=C(N[C@H]1CCCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005057467	0	37	-1.0	-55.83	305.51	1.88	-53.95
CC(CF)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057468	0	38	-1.0	-47.95	315.04	1.44	-46.51
CC=CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057469	0	36	-1.0	-54.68	302.19	1.39	-53.29
O=C(C=CCF)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057470	0	36	-1.0	-56.55	308.36	1.50	-55.05
C[C@H](O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057472	0	36	-1.0	-47.97	296.85	-1.54	-49.51
CON=CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057473	0	36	-1.0	-55.74	311.07	-0.67	-56.41
C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057474	0	39	-1.0	-49.84	321.09	2.22	-47.62
CC(C)(O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057475	0	39	-1.0	-49.96	310.16	-1.26	-51.22
C=C(C)CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057476	0	39	-1.0	-53.86	324.21	2.00	-51.86
C=CCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057477	0	36	-1.0	-54.22	302.59	1.34	-52.88
C[NH+](C)CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057478	0	41	0.0	-73.71	325.33	1.48	-72.23
CN(C)CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057478	1	40	-1.0	-54.59	323.23	-0.91	-55.50
N#CCC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057479	0	33	-1.0	-63.37	289.14	0.48	-62.89
O=C(N[C@H]1CCCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005057480	0	36	-1.0	-47.80	306.47	1.63	-46.17
O=C(CCF)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057481	0	35	-1.0	-52.23	296.31	0.94	-51.29
CO[C@H](C)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057482	0	39	-1.0	-53.02	317.80	0.64	-52.38
C[C@@H](O)C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057483	0	36	-1.0	-54.59	296.41	-1.59	-56.18
C=C1CC1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057484	0	37	-1.0	-49.58	313.06	2.11	-47.47
CC1=CC1C(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057485	0	37	-1.0	-50.42	314.71	2.24	-48.18
C=CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057486	0	33	-1.0	-54.44	280.46	0.49	-53.95
COCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057487	0	33	-1.0	-47.66	292.01	-1.80	-49.46
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057488	0	30	-1.0	-47.30	268.84	-0.10	-47.40
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005057489	0	33	-1.0	-50.37	285.03	0.40	-49.97
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC1	REAL250005057490	0	36	-1.0	-50.19	301.90	1.10	-49.09
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCOCC1	REAL250005057491	0	37	-1.0	-51.77	310.60	-0.74	-52.51
O=C(CC1CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057492	0	33	-1.0	-47.27	289.27	0.66	-46.61
CC(C)(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057493	0	32	-1.0	-48.00	285.13	-0.22	-48.22
CC(F)(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057494	0	29	-1.0	-47.43	270.18	-0.69	-48.12
COCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057495	0	30	-1.0	-49.84	271.05	-1.52	-51.36
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=N1	REAL250005057496	0	32	-1.0	-50.37	290.90	-0.28	-50.65
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NC=C1	REAL250005057497	0	32	-1.0	-48.48	288.91	-0.33	-48.81
CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057498	0	32	-1.0	-47.09	279.83	-0.11	-47.20
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN=C1	REAL250005057499	0	32	-1.0	-49.75	288.70	-0.34	-50.09
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CO1	REAL250005057500	0	30	-1.0	-50.31	277.93	-0.57	-50.88
CC(=O)NCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057501	0	33	-1.0	-51.23	296.99	-3.19	-54.42
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL250005057502	0	33	-1.0	-51.49	293.70	1.43	-50.06
CC(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057503	0	35	-1.0	-46.80	296.56	0.48	-46.32
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL250005057504	0	39	-1.0	-50.11	319.47	1.68	-48.43
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CC=N1	REAL250005057505	0	31	-1.0	-50.09	285.72	-2.17	-52.26
O=C(CC1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057506	0	39	-1.0	-46.84	321.52	1.74	-45.10
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CS1	REAL250005057507	0	30	-1.0	-47.95	285.85	0.43	-47.52
CC1CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057508	0	33	-1.0	-47.29	290.23	0.56	-46.73
CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057509	0	33	-1.0	-49.80	292.91	-0.56	-50.36
CC(C)=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057510	0	33	-1.0	-47.16	287.80	0.43	-46.73
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COCCO1	REAL250005057511	0	33	-1.0	-51.61	291.88	-0.94	-52.55
CC(=O)NC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057512	0	36	-1.0	-51.73	316.54	-2.36	-54.09
CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL250005057513	0	33	-1.0	-49.26	299.86	0.25	-49.01
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCO1	REAL250005057514	0	34	-1.0	-54.32	294.32	-0.32	-54.64
CSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057515	0	30	-1.0	-49.05	281.39	-0.45	-49.50
CC1=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL250005057516	0	32	-1.0	-49.34	294.34	-0.49	-49.83
CSCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057517	0	33	-1.0	-47.39	303.07	0.37	-47.02
CC(C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057518	0	38	-1.0	-46.97	318.90	1.18	-45.79
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CSC=C1	REAL250005057519	0	30	-1.0	-51.40	285.03	0.35	-51.05
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CO1	REAL250005057520	0	33	-1.0	-50.61	295.36	0.22	-50.39
O=C(CC1C=CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057521	0	37	-1.0	-47.72	313.70	1.65	-46.07
O=C(CN1C=NN=N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057522	0	31	-1.0	-58.06	287.14	-1.33	-59.39
CN1C=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL250005057523	0	33	-1.0	-52.99	298.73	-0.81	-53.80
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC=CCC1	REAL250005057524	0	37	-1.0	-50.01	311.75	1.59	-48.42
CC1=NOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005057525	0	32	-1.0	-48.77	294.36	-0.54	-49.31
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005057526	0	31	-1.0	-49.22	280.83	-0.79	-50.01
CC(=O)CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057527	0	37	-1.0	-53.97	324.42	0.59	-53.38
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=C1	REAL250005057528	0	30	-1.0	-49.99	277.10	-0.60	-50.59
O=C(CN1C=CC=N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057529	0	33	-1.0	-52.69	298.56	-0.46	-53.15
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=C1	REAL250005057530	0	33	-1.0	-50.05	295.81	0.12	-49.93
CCCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057531	0	38	-1.0	-46.95	322.83	1.46	-45.49
CC(C)(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057532	0	38	-1.0	-46.23	311.53	1.01	-45.22
CN1C=CC=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057533	0	34	-1.0	-49.38	299.11	0.85	-48.53
CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057534	0	35	-1.0	-47.05	301.33	0.68	-46.37
CC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057535	0	32	-1.0	-50.41	277.85	-0.21	-50.62
CCC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057536	0	35	-1.0	-50.34	295.98	0.44	-49.90
CC(C)SCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057537	0	36	-1.0	-48.66	321.14	1.08	-47.58
CC(=O)N(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057538	0	36	-1.0	-57.27	315.92	-0.82	-58.09
CCC(CC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057539	0	38	-1.0	-46.68	311.85	0.93	-45.75
CC(C)OCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057540	0	39	-1.0	-47.61	334.13	-0.09	-47.70
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1COCCO1	REAL250005057541	0	35	-1.0	-53.69	303.15	-1.42	-55.11
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005057542	0	30	-1.0	-48.88	275.54	-2.10	-50.98
CSC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057543	0	33	-1.0	-48.40	299.84	0.11	-48.29
CCOC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057544	0	36	-1.0	-53.97	312.67	0.14	-53.83
CCOCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057545	0	39	-1.0	-49.13	335.36	-0.07	-49.20
O=C(COCC1CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057546	0	37	-1.0	-54.47	324.41	1.10	-53.37
O=C(CC1CCCO1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057547	0	37	-1.0	-50.58	314.43	0.13	-50.45
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNN=C1	REAL250005057548	0	30	-1.0	-52.37	275.80	-2.12	-54.49
COCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057549	0	36	-1.0	-49.15	313.50	-1.03	-50.18
CCSCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057550	0	36	-1.0	-47.35	324.53	1.25	-46.10
CCOC1CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057551	0	37	-1.0	-47.98	324.42	-0.21	-48.19
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSN=C1	REAL250005057552	0	28	-1.0	-47.93	274.65	-2.59	-50.52
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NS1	REAL250005057553	0	28	-1.0	-48.16	276.00	-1.97	-50.13
COC(=O)NCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057554	0	34	-1.0	-50.39	307.83	-3.78	-54.17
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOC=C1	REAL250005057555	0	29	-1.0	-50.40	272.40	-1.32	-51.72
CCCSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057556	0	36	-1.0	-48.68	324.36	1.25	-47.43
CC(=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057557	0	37	-1.0	-47.03	315.24	1.87	-45.16
CC1=NNC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005057558	0	33	-1.0	-49.10	297.48	-1.53	-50.63
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CS1	REAL250005057559	0	29	-1.0	-48.46	280.88	-1.44	-49.90
CCC=C(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057560	0	36	-1.0	-47.33	306.96	1.15	-46.18
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N=CO1	REAL250005057561	0	32	-1.0	-50.90	290.72	-3.16	-54.06
CCOC(CC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057562	0	39	-1.0	-47.93	333.90	0.97	-46.96
O=C(CC(F)(F)F)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057563	0	29	-1.0	-49.57	275.75	-0.45	-50.02
COC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057564	0	33	-1.0	-49.58	290.04	-0.77	-50.35
CC(C)OCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057565	0	36	-1.0	-49.70	313.18	0.17	-49.53
CCCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057566	0	36	-1.0	-49.57	314.41	0.24	-49.33
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCOC1	REAL250005057567	0	34	-1.0	-52.63	292.21	-1.52	-54.15
CN1N=CC=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057568	0	33	-1.0	-51.23	293.87	-0.82	-52.05
CCC(OC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057569	0	36	-1.0	-47.90	312.05	0.03	-47.87
COCCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057570	0	39	-1.0	-48.21	335.00	-0.25	-48.46
CCCC(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057571	0	41	-1.0	-46.66	336.29	1.90	-44.76
COC(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057572	0	36	-1.0	-47.79	311.14	-0.29	-48.08
C=CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057573	0	33	-1.0	-46.94	292.64	0.46	-46.48
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COCCC1	REAL250005057574	0	35	-1.0	-47.67	299.91	-0.28	-47.95
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCOC1	REAL250005057575	0	37	-1.0	-47.63	310.55	-0.71	-48.34
CCOCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057576	0	36	-1.0	-47.61	313.86	-0.83	-48.44
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CSC=N1	REAL250005057577	0	29	-1.0	-50.28	280.94	-1.56	-51.84
COCC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057578	0	36	-1.0	-47.04	310.71	-1.10	-48.14
C=CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057579	0	34	-1.0	-49.97	305.81	0.02	-49.95
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=N1	REAL250005057580	0	29	-1.0	-50.62	272.57	-3.89	-54.51
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CCC(=O)N1	REAL250005057581	0	34	-1.0	-54.01	300.63	-2.98	-56.99
CC1=NC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL250005057582	0	33	-1.0	-53.69	297.47	-1.11	-54.80
CSCC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057583	0	36	-1.0	-46.76	320.47	0.93	-45.83
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057584	0	39	0.0	-70.33	319.57	0.80	-69.53
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057584	1	39	0.0	-74.30	313.75	0.47	-73.83
CN1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057584	1	38	-1.0	-52.18	318.98	-1.34	-53.52
CCC(=O)NCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057585	0	36	-1.0	-50.98	317.30	-2.38	-53.36
CC(C)(C)C=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057586	0	39	-1.0	-47.11	329.83	1.53	-45.58
COCCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057587	0	37	-1.0	-52.69	326.53	-1.31	-54.00
CCCC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057588	0	38	-1.0	-46.78	317.51	1.18	-45.60
O=C(CCC1CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057589	0	36	-1.0	-47.17	311.44	1.45	-45.72
CCCCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057590	0	39	-1.0	-49.58	335.90	1.03	-48.55
O=C(CC1=NOC=C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057591	0	32	-1.0	-52.41	292.56	-0.54	-52.95
O=C(CC1CCOC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057592	0	37	-1.0	-48.02	312.38	-0.74	-48.76
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC=CC1	REAL250005057593	0	34	-1.0	-50.39	293.84	0.89	-49.50
O=C(CC1=NNC=C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057594	0	33	-1.0	-57.29	297.27	-1.37	-58.66
O=C(CC1CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057595	0	36	-1.0	-50.94	306.03	1.26	-49.68
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL250005057596	0	32	-1.0	-49.89	290.71	-3.26	-53.15
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057597	0	36	-1.0	-46.71	307.82	1.27	-45.44
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C2CCCC21	REAL250005057598	0	37	-1.0	-46.95	306.84	1.93	-45.02
O=C(CCC1CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057599	0	39	-1.0	-46.99	328.05	1.98	-45.01
CC=C(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057600	0	33	-1.0	-50.51	286.62	0.42	-50.09
CC1CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057601	0	36	-1.0	-50.43	305.90	1.13	-49.30
O=C(C=C1CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057602	0	34	-1.0	-50.73	297.46	1.12	-49.61
CCC(=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC	REAL250005057603	0	39	-1.0	-46.55	328.08	1.91	-44.64
CC(C)=C(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057604	0	33	-1.0	-47.52	292.14	0.47	-47.05
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005057605	0	34	-1.0	-47.68	294.91	0.99	-46.69
CN1C=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005057606	0	34	-1.0	-52.59	303.73	1.04	-51.55
CN1C=NC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005057607	0	33	-1.0	-52.71	299.26	0.66	-52.05
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCO1	REAL250005057608	0	37	-1.0	-53.64	312.07	0.57	-53.07
CCC(SC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057609	0	36	-1.0	-46.59	320.22	1.10	-45.49
CC1(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057610	0	36	-1.0	-49.77	305.43	1.12	-48.65
CCC(C)OCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057611	0	39	-1.0	-49.53	333.95	0.98	-48.55
CC1(C)C[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057612	0	36	-1.0	-49.69	305.31	1.19	-48.50
CSC(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057613	0	36	-1.0	-47.79	318.89	0.93	-46.86
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCCO1	REAL250005057614	0	34	-1.0	-49.00	294.46	-0.29	-49.29
C#CCCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057615	0	37	-1.0	-48.34	328.61	1.98	-46.36
CCNC(=O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057616	0	36	-1.0	-55.98	315.91	-1.00	-56.98
COC(C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057617	0	39	-1.0	-47.35	333.04	-0.26	-47.61
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN=C1	REAL250005057618	0	31	-1.0	-51.42	283.45	-0.45	-51.87
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCOCC1	REAL250005057619	0	35	-1.0	-50.89	301.02	-0.73	-51.62
O=C(CC1=COC=C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057620	0	33	-1.0	-53.84	299.05	0.07	-53.77
CC1=NC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CO1	REAL250005057621	0	32	-1.0	-49.64	294.51	-3.15	-52.79
C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057622	0	35	-1.0	-53.22	309.46	-5.13	-58.35
CC1=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CO1	REAL250005057623	0	33	-1.0	-49.89	299.02	0.22	-49.67
CCC(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057624	0	38	-1.0	-46.69	314.79	1.15	-45.54
C#CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057625	0	34	-1.0	-49.34	307.11	1.20	-48.14
CC(C)(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057626	0	36	-1.0	-46.61	302.79	-1.46	-48.07
COC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057627	0	37	-1.0	-52.57	323.47	0.74	-51.83
CN1N=NC=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057628	0	32	-1.0	-50.45	288.92	-2.22	-52.67
CCCCC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057629	0	41	-1.0	-50.41	338.97	1.98	-48.43
CC1(C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057630	0	39	-1.0	-50.07	325.14	1.58	-48.49
CC(C)[C@@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057631	0	36	-1.0	-50.20	304.39	-2.38	-52.58
CN1C=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N=N1	REAL250005057632	0	32	-1.0	-51.69	294.76	-2.25	-53.94
CN1C=NC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005057633	0	32	-1.0	-55.99	294.22	-0.16	-56.15
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1(F)F	REAL250005057634	0	30	-1.0	-50.66	281.85	0.05	-50.61
CCC(C)=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057635	0	36	-1.0	-46.85	309.33	1.19	-45.66
CC(C)C#CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057636	0	34	-1.0	-49.00	307.72	1.14	-47.86
O=C(CC1(O)CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057637	0	37	-1.0	-48.19	313.02	-0.73	-48.92
CC1=CNN=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057638	0	33	-1.0	-51.90	294.96	-1.43	-53.33
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CCC1	REAL250005057639	0	37	-1.0	-48.20	315.07	1.96	-46.24
O=C(C#CC1CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057640	0	32	-1.0	-49.32	297.40	1.32	-48.00
CC(C)(C)C#CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057641	0	37	-1.0	-48.95	327.86	1.68	-47.27
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250005057642	0	32	-1.0	-53.69	297.79	0.25	-53.44
NC(=O)NCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057643	0	35	-1.0	-56.12	312.06	-5.35	-61.47
CC1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057644	0	39	-1.0	-50.17	322.86	1.69	-48.48
C#CCOCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057645	0	35	-1.0	-49.26	319.64	-0.29	-49.55
C#CCOC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057646	0	35	-1.0	-56.81	318.45	0.69	-56.12
C=CCC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057647	0	39	-1.0	-50.22	325.90	1.46	-48.76
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC12CCC2	REAL250005057648	0	37	-1.0	-47.20	316.16	1.83	-45.37
CN(C)C(=O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057649	0	36	-1.0	-56.36	311.81	0.09	-56.27
CN1C=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005057650	0	33	-1.0	-52.84	299.34	-0.79	-53.63
COCCC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057651	0	39	-1.0	-48.74	329.68	-0.52	-49.26
O=C(CN1N=CN=N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057652	0	31	-1.0	-59.84	288.63	-1.72	-61.56
CCCC[C@@H](C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057653	0	41	-1.0	-50.31	338.97	1.97	-48.34
CCC(C)(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057654	0	41	-1.0	-46.16	325.75	1.49	-44.67
CC(C)C(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057655	0	41	-1.0	-49.84	323.49	1.31	-48.53
C=CC(C)(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057656	0	39	-1.0	-46.05	320.19	1.40	-44.65
O=C(CN1N=CC=N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057657	0	32	-1.0	-53.73	293.95	-2.11	-55.84
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1C1CC1	REAL250005057658	0	37	-1.0	-46.94	322.41	2.14	-44.80
CCC(C)(CC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057659	0	41	-1.0	-50.47	326.90	1.34	-49.13
C=C(C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057660	0	36	-1.0	-46.78	314.29	1.13	-45.65
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NS1	REAL250005057661	0	29	-1.0	-49.79	280.91	-0.93	-50.72
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@]12C[C@H]1COC2	REAL250005057662	0	35	-1.0	-51.53	304.58	-0.82	-52.35
CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057663	0	33	-1.0	-50.13	286.57	0.51	-49.62
CNC(=O)NCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057664	0	35	-1.0	-52.31	311.86	-4.54	-56.85
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CCCO1	REAL250005057665	0	34	-1.0	-49.73	294.61	-0.24	-49.97
CC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057666	0	39	-1.0	-50.13	326.19	1.94	-48.19
CC(C)(C(N)=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057667	0	36	-1.0	-62.14	308.33	-2.06	-64.20
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(C2CC2)CC1	REAL250005057668	0	37	-1.0	-50.31	310.36	2.18	-48.13
COC1CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057669	0	37	-1.0	-48.35	318.31	-0.55	-48.90
C=CCCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057670	0	37	-1.0	-49.54	327.22	0.81	-48.73
C=CCOC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057671	0	37	-1.0	-54.22	325.57	0.72	-53.50
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSC=C1	REAL250005057672	0	29	-1.0	-49.78	280.21	-1.10	-50.88
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005057673	0	39	-1.0	-50.31	324.17	1.79	-48.52
CC1CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL250005057674	0	37	-1.0	-50.87	313.19	-0.78	-51.65
NC(=O)CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057675	0	36	-1.0	-56.26	317.51	-3.26	-59.52
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCCC1	REAL250005057676	0	36	-1.0	-47.95	308.09	1.11	-46.84
CN1C=NC=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057677	0	33	-1.0	-51.47	293.93	0.55	-50.92
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)(C)C	REAL250005057678	0	41	-1.0	-46.08	323.80	1.37	-44.71
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNN=C1	REAL250005057679	0	29	-1.0	-49.18	271.22	-3.53	-52.71
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005057679	1	29	-1.0	-51.98	270.12	-3.41	-55.39
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)NC=N1	REAL250005057680	0	33	-1.0	-53.99	293.43	-0.35	-54.34
COCC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057681	0	37	-1.0	-52.94	324.25	-0.50	-53.44
COCC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057682	0	39	-1.0	-49.70	328.34	-0.44	-50.14
CN1N=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005057683	0	32	-1.0	-50.39	294.27	-2.44	-52.83
O=C(CCC(F)F)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057684	0	32	-1.0	-48.46	292.49	0.17	-48.29
CC1(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057685	0	36	-1.0	-46.98	309.27	1.15	-45.83
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CCF)CC1	REAL250005057686	0	36	-1.0	-49.19	317.09	1.22	-47.97
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005057687	0	41	0.0	-62.76	324.32	0.84	-61.92
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CSN=N1	REAL250005057688	0	28	-1.0	-49.26	275.68	-2.19	-51.45
CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL250005057689	0	39	-1.0	-46.95	319.66	1.53	-45.42
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005057690	0	29	-1.0	-49.85	272.74	-3.87	-53.72
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC(=O)N1	REAL250005057691	0	34	-1.0	-59.70	300.49	-2.91	-62.61
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057692	0	41	0.0	-74.63	332.94	1.34	-73.29
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057692	1	41	0.0	-74.81	332.99	1.34	-73.47
CC1=NNC=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057693	0	33	-1.0	-55.36	293.89	-1.52	-56.88
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)NN=N1	REAL250005057694	0	32	-1.0	-49.20	288.61	-2.86	-52.06
CC1=NNN=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057694	1	32	-1.0	-48.89	289.84	-2.95	-51.84
CCCC(OC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057695	0	39	-1.0	-47.75	333.54	0.80	-46.95
C=C(C)C(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057696	0	39	-1.0	-50.28	323.52	1.27	-49.01
CC(CC(N)=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057697	0	36	-1.0	-51.48	311.32	-3.43	-54.91
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCNC1=O	REAL250005057698	0	34	-1.0	-53.22	297.34	-3.09	-56.31
C=CC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057699	0	36	-1.0	-50.63	305.50	0.76	-49.87
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057700	0	39	0.0	-74.46	313.90	0.39	-74.07
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057700	1	39	0.0	-70.69	320.00	0.98	-69.71
CN1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057700	1	38	-1.0	-52.28	319.15	-1.29	-53.57
C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057701	0	33	-1.0	-50.42	290.21	0.57	-49.85
CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005057702	0	36	-1.0	-50.22	302.22	0.92	-49.30
CC1COC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057703	0	37	-1.0	-49.88	314.96	0.31	-49.57
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@]12C[C@H]1CCC2	REAL250005057704	0	37	-1.0	-50.31	313.33	1.78	-48.53
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057705	0	41	0.0	-64.81	325.51	0.93	-63.88
CCC(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057706	0	32	-1.0	-46.79	286.10	-0.07	-46.86
O=C(CCCF)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057707	0	32	-1.0	-49.08	286.42	0.03	-49.05
CC1=COC=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057708	0	33	-1.0	-49.73	295.95	0.08	-49.65
C[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057709	0	33	-1.0	-50.29	290.06	0.64	-49.65
CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CCC1	REAL250005057710	0	37	-1.0	-50.01	312.59	1.43	-48.58
CN1N=NC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005057711	0	31	-1.0	-52.15	289.16	-2.86	-55.01
CC(C)C(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057712	0	35	-1.0	-47.00	305.32	0.43	-46.57
C=CC(C)C(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057713	0	39	-1.0	-50.23	325.30	1.53	-48.70
CCC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005057714	0	39	-1.0	-50.55	322.34	1.38	-49.17
CC#CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057715	0	37	-1.0	-50.11	328.94	2.15	-47.96
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1[C@@H]2COC[C@@H]21	REAL250005057716	0	35	-1.0	-51.39	304.57	-0.70	-52.09
O=C(CCCC1CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057717	0	39	-1.0	-47.14	332.94	2.24	-44.90
CC1(C)CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057718	0	39	-1.0	-49.88	320.47	1.56	-48.32
CC1=COC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005057719	0	33	-1.0	-50.10	299.81	0.12	-49.98
C=CC(CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057720	0	39	-1.0	-46.75	329.87	1.71	-45.04
CC(C)(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057721	0	39	-1.0	-50.79	319.89	1.60	-49.19
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1C[C@H]2C[C@H]2C1	REAL250005057722	0	37	-1.0	-50.25	312.60	1.83	-48.42
O=C(CC1=CON=C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057723	0	32	-1.0	-56.14	293.30	-0.49	-56.63
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCOC1	REAL250005057724	0	34	-1.0	-48.17	298.52	-1.58	-49.75
CC(C)(C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057725	0	41	-1.0	-46.82	335.06	1.58	-45.24
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NC=N1	REAL250005057726	0	31	-1.0	-49.03	285.81	-0.41	-49.44
O=C(CC1=CC=CO1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057727	0	33	-1.0	-50.49	299.09	0.24	-50.25
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CC=N1	REAL250005057728	0	31	-1.0	-53.69	286.55	-1.10	-54.79
CCC(C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057729	0	41	-1.0	-46.85	337.12	1.84	-45.01
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN=N1	REAL250005057730	0	31	-1.0	-53.29	285.99	-1.44	-54.73
CC1OCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057731	0	37	-1.0	-53.16	312.74	-0.76	-53.92
CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCOC1	REAL250005057732	0	37	-1.0	-52.04	310.18	-0.89	-52.93
CCC(CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057733	0	41	-1.0	-46.62	328.92	1.66	-44.96
CCC(C)C(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057734	0	41	-1.0	-46.44	330.08	1.62	-44.82
CCCC(CC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057735	0	41	-1.0	-46.67	333.37	1.69	-44.98
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC(F)C1	REAL250005057736	0	36	-1.0	-50.86	308.23	1.17	-49.69
C=CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057737	0	36	-1.0	-47.37	314.14	1.24	-46.13
CCC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057738	0	38	-1.0	-50.35	310.96	0.86	-49.49
CCCC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057739	0	41	-1.0	-50.44	332.46	1.63	-48.81
NC(=O)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057740	0	34	-1.0	-49.29	305.92	-3.58	-52.87
NC(=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057741	0	27	-1.0	-50.03	253.68	-5.54	-55.57
CC1=NOC=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057742	0	32	-1.0	-49.36	291.16	-0.53	-49.89
CCC1(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057743	0	39	-1.0	-49.67	322.37	1.84	-47.83
COCC(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057744	0	39	-1.0	-48.64	329.50	-0.41	-49.05
CC1(CCC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057745	0	39	-1.0	-47.10	327.79	1.81	-45.29
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)ON=C1	REAL250005057746	0	32	-1.0	-49.42	290.95	-0.46	-49.88
CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC=CC1	REAL250005057747	0	37	-1.0	-50.69	312.12	1.53	-49.16
COC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL250005057748	0	39	-1.0	-48.43	325.85	0.50	-47.93
CC1CC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057749	0	36	-1.0	-51.03	310.44	1.42	-49.61
C=CC(C)(CC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057750	0	39	-1.0	-49.54	319.61	1.89	-47.65
O=C(C[C@H]1CCOC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057751	0	37	-1.0	-53.62	312.80	-0.75	-54.37
CCC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057752	0	36	-1.0	-50.43	310.52	1.09	-49.34
CC(F)(F)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057753	0	32	-1.0	-51.48	290.23	0.10	-51.38
CCCC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057754	0	39	-1.0	-47.26	332.01	1.86	-45.40
COCC(OC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057755	0	37	-1.0	-48.75	324.72	-1.51	-50.26
CCC[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057756	0	39	-1.0	-46.95	333.13	2.10	-44.85
CC(C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057757	0	39	-1.0	-50.12	324.26	1.45	-48.67
C=C1CC(C)(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057758	0	37	-1.0	-50.91	316.17	1.53	-49.38
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005057759	0	33	-1.0	-50.18	296.42	0.56	-49.62
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2(CC2)C1	REAL250005057760	0	37	-1.0	-50.22	317.39	1.79	-48.43
CC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057761	0	35	-1.0	-46.80	296.77	0.36	-46.44
CCCCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057762	0	41	-1.0	-47.04	344.32	2.24	-44.80
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057763	0	41	0.0	-67.55	334.01	1.06	-66.49
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057763	1	41	0.0	-67.43	334.01	1.06	-66.37
CC1=CON=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057764	0	32	-1.0	-51.35	291.25	-0.65	-52.00
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057765	0	34	-1.0	-61.77	303.46	-2.96	-64.73
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005057766	0	41	0.0	-70.78	324.55	0.84	-69.94
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CCC1	REAL250005057767	0	36	-1.0	-49.72	306.43	1.30	-48.42
O=C(CN1C=NC=N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057768	0	32	-1.0	-61.40	293.14	1.06	-60.34
O=C(CC1=NNC=N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057769	0	32	-1.0	-58.56	292.93	-1.03	-59.59
O=C(CC1=NN=CN1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057769	1	32	-1.0	-57.19	291.57	-0.49	-57.68
CC(C)C(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057770	0	38	-1.0	-46.45	311.90	0.99	-45.46
CC[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057771	0	36	-1.0	-47.05	311.63	1.33	-45.72
CC(C)CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057772	0	41	-1.0	-46.94	340.39	1.96	-44.98
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC12CC2	REAL250005057773	0	34	-1.0	-50.80	301.27	1.37	-49.43
O=C(CC1=CNC=N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057774	0	33	-1.0	-53.45	296.86	-0.22	-53.67
O=C(CC1=CN=CN1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057774	1	33	-1.0	-57.41	297.52	-0.34	-57.75
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC(=O)N1	REAL250005057775	0	31	-1.0	-53.51	283.26	-4.19	-57.70
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCCC1	REAL250005057776	0	37	-1.0	-47.37	309.73	1.65	-45.72
CC(=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL250005057777	0	39	-1.0	-46.75	326.31	1.69	-45.06
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CC(=O)N1	REAL250005057778	0	31	-1.0	-54.04	283.17	-4.11	-58.15
O=C(CN1C=NC=N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057779	0	32	-1.0	-61.40	293.14	1.06	-60.34
COC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057780	0	34	-1.0	-52.94	296.88	-0.34	-53.28
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005057781	0	31	-1.0	-50.90	284.91	0.05	-50.85
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCCC1	REAL250005057782	0	37	-1.0	-51.35	309.60	-2.02	-53.37
C=CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057783	0	30	-1.0	-47.28	271.24	-0.33	-47.61
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057784	0	35	0.0	-66.90	293.92	-0.16	-67.06
CN(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057784	1	34	-1.0	-47.74	291.84	-2.54	-50.28
C=CC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057785	0	31	-1.0	-48.10	279.69	-2.29	-50.39
[N-]=[N+]=NCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057786	0	34	-1.0	-49.33	309.97	-3.45	-52.78
CC1(C)COC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057787	0	37	-1.0	-54.42	315.18	-0.05	-54.47
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL250005057788	0	38	-1.0	-52.02	317.73	-2.15	-54.17
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL250005057788	1	39	0.0	-71.52	322.09	0.92	-70.60
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CC1(F)F	REAL250005057789	0	30	-1.0	-49.16	280.21	0.17	-48.99
O=C(CC1=CNN=C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057790	0	33	-1.0	-56.41	298.17	-1.41	-57.82
CC(C)NC(=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057791	0	36	-1.0	-49.89	317.72	-2.39	-52.28
C=C(Cl)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057792	0	33	-1.0	-48.02	309.66	0.99	-47.03
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL250005057793	0	35	-1.0	-47.60	301.92	-0.21	-47.81
O=C(C=C1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057794	0	37	-1.0	-47.33	313.75	1.73	-45.60
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057795	0	39	0.0	-71.79	323.16	1.25	-70.54
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057795	1	39	0.0	-64.25	323.32	1.25	-63.00
CN(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057795	1	38	-1.0	-51.62	317.18	-1.15	-52.77
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CO)COC1	REAL250005057796	0	35	-1.0	-52.95	301.69	-4.39	-57.34
CC(C)=CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057797	0	39	-1.0	-47.00	331.62	1.86	-45.14
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005057798	0	31	-1.0	-51.35	275.49	-2.29	-53.64
CC1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL250005057799	0	37	-1.0	-54.10	315.47	0.56	-53.54
O=C(CC1(CO)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057800	0	37	-1.0	-50.52	319.87	-2.19	-52.71
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057801	0	39	0.0	-69.03	325.36	0.67	-68.36
CC1(O)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057802	0	37	-1.0	-49.90	315.98	-2.43	-52.33
CO[C@H](C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057803	0	33	-1.0	-53.91	290.82	-0.81	-54.72
CC1=NNC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005057804	0	32	-1.0	-48.26	293.32	-1.56	-49.82
CC1=NN=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL250005057804	1	32	-1.0	-50.93	293.52	-1.31	-52.24
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)N1	REAL250005057805	0	30	-1.0	-57.53	281.30	-3.42	-60.95
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL250005057805	1	29	-2.0	-85.97	279.32	-5.17	-91.14
CC=CC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057806	0	34	-1.0	-50.64	301.36	-1.44	-52.08
CCCC[C@H](C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057807	0	41	-1.0	-50.41	338.97	1.98	-48.43
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005057808	0	38	0.0	-72.29	312.00	0.25	-72.04
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005057808	1	37	-1.0	-51.25	305.97	-2.17	-53.42
CCC=C(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057809	0	33	-1.0	-47.18	297.18	0.54	-46.64
CCC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057810	0	33	-1.0	-47.29	292.99	0.50	-46.79
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC(=O)N1	REAL250005057812	0	34	-1.0	-59.61	300.40	-2.90	-62.51
CC(C)(CO)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057813	0	36	-1.0	-50.02	306.09	-2.84	-52.86
CN1C=CN=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057814	0	33	-1.0	-50.18	295.02	-0.09	-50.27
O=C(CC(O)C1CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057815	0	37	-1.0	-54.35	321.26	-1.01	-55.36
CC(C)CC(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057816	0	38	-1.0	-48.61	323.05	1.18	-47.43
CC(=CC1CC1)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057817	0	37	-1.0	-47.41	317.57	1.94	-45.47
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC=CO1	REAL250005057818	0	35	-1.0	-49.34	303.82	0.77	-48.57
O=C(CC1CSC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057819	0	34	-1.0	-49.48	306.02	0.81	-48.67
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005057820	0	33	-1.0	-47.47	291.23	0.51	-46.96
NC(=O)C=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057821	0	31	-1.0	-52.12	288.29	-4.23	-56.35
C#CCSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057822	0	32	-1.0	-50.90	308.64	0.97	-49.93
CC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057823	0	30	-1.0	-55.22	269.44	-3.03	-58.25
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005057824	0	34	-1.0	-49.83	291.44	-2.59	-52.42
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005057825	0	34	-1.0	-50.42	301.08	-1.47	-51.89
O=C(CN1C=NN=C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057826	0	32	-1.0	-56.87	293.83	1.89	-54.98
C=CCC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057827	0	36	-1.0	-50.31	309.26	0.99	-49.32
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005057828	0	30	-1.0	-51.25	275.06	-0.04	-51.29
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005057829	0	38	0.0	-72.29	312.00	0.25	-72.04
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005057829	1	37	-1.0	-51.25	305.97	-2.17	-53.42
O=C(CCF)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057830	0	29	-1.0	-47.12	264.92	-0.73	-47.85
O=C(CN1C=CN=N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057831	0	32	-1.0	-56.17	292.44	-1.76	-57.93
C=CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005057832	0	37	-1.0	-49.45	312.13	2.00	-47.45
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005057833	0	32	-1.0	-51.28	283.72	-4.82	-56.10
CCC(C)C(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057834	0	39	-1.0	-45.83	322.18	-1.75	-47.58
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005057835	0	34	-1.0	-48.13	301.11	1.36	-46.77
CCC1CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057836	0	36	-1.0	-47.07	311.63	1.32	-45.75
CC(O)CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057837	0	39	-1.0	-49.41	333.13	-1.84	-51.25
O=C(CC1(O)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057838	0	34	-1.0	-55.24	300.25	-2.86	-58.10
O=C(C=CCF)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057839	0	30	-1.0	-48.49	278.09	-0.15	-48.64
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)CC1CC1	REAL250005057840	0	36	-1.0	-51.25	317.66	1.48	-49.77
CCC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)OC	REAL250005057841	0	39	-1.0	-48.82	327.03	0.36	-48.46
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)CC1	REAL250005057842	0	31	-1.0	-49.01	296.39	0.96	-48.05
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@]12C[C@H]1[C@H](F)C2	REAL250005057843	0	34	-1.0	-53.00	303.68	1.26	-51.74
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCOC1	REAL250005057844	0	35	-1.0	-50.79	300.89	-0.66	-51.45
CC(C)(C)C(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057845	0	39	-1.0	-46.36	319.08	-0.51	-46.87
C#CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057846	0	31	-1.0	-47.86	285.61	0.41	-47.45
O=C(CN1CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057847	0	35	-1.0	-47.96	299.70	-2.96	-50.92
O=C(C[NH+]1CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057847	1	36	0.0	-66.02	304.02	0.26	-65.76
CC(C)C(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057848	0	39	-1.0	-48.97	324.56	-1.02	-49.99
CCCC(C)(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057849	0	39	-1.0	-48.49	327.11	-1.98	-50.47
CCOC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057850	0	39	-1.0	-54.14	324.61	0.60	-53.54
C#C[C@H]1C[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057851	0	32	-1.0	-49.43	291.72	1.06	-48.37
[N-]=[N+]=NC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057852	0	32	-1.0	-47.57	292.06	-3.03	-50.60
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC(=O)O1	REAL250005057853	0	30	-1.0	-54.91	282.64	-3.31	-58.22
CC(C)[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057854	0	39	-1.0	-47.27	330.52	1.96	-45.31
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C2CCC21	REAL250005057855	0	34	-1.0	-47.27	291.38	1.31	-45.96
C=C1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057856	0	34	-1.0	-50.09	298.46	0.97	-49.12
C[C@H]1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005057857	0	36	-1.0	-46.80	298.88	1.14	-45.66
C[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005057858	0	38	0.0	-72.02	311.87	0.32	-71.70
C[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005057858	1	37	-1.0	-50.76	303.50	-2.21	-52.97
CC=CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057859	0	34	-1.0	-47.69	307.07	1.17	-46.52
CN1N=CN=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057860	0	32	-1.0	-50.05	289.78	-0.16	-50.21
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC[C@@H](O)C1	REAL250005057861	0	37	-1.0	-47.94	312.54	-2.38	-50.32
CS(=O)C=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057862	0	32	-1.0	-54.87	304.09	-2.52	-57.39
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC=CCC1	REAL250005057863	0	37	-1.0	-50.02	311.75	1.60	-48.42
COCC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057864	0	34	-1.0	-48.67	305.26	-1.22	-49.89
CC1CN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057865	0	38	-1.0	-52.93	321.76	-1.96	-54.89
CC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057865	1	39	0.0	-74.91	325.16	0.94	-73.97
CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005057866	0	34	-1.0	-52.99	293.62	-1.71	-54.70
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCCO1	REAL250005057867	0	35	-1.0	-48.70	302.73	-0.17	-48.87
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCS1	REAL250005057868	0	32	-1.0	-50.08	295.43	0.66	-49.42
CC1=NOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057869	0	34	-1.0	-58.77	303.49	-0.16	-58.93
O=C(NC1CC1)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057870	0	34	-1.0	-49.76	307.21	-2.34	-52.10
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL250005057871	0	34	-1.0	-50.75	300.70	0.81	-49.94
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005057872	0	31	-1.0	-53.72	275.64	-1.26	-54.98
[N-]=[N+]=NCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057873	0	31	-1.0	-46.92	288.47	-4.26	-51.18
C#CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057874	0	32	-1.0	-52.23	298.69	-0.02	-52.25
O=C(CC1=NN=CO1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057875	0	31	-1.0	-60.17	288.44	-5.71	-65.88
CN(CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057876	0	38	-1.0	-51.01	320.97	-5.06	-56.07
C[N@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057876	1	39	0.0	-67.35	322.00	-2.73	-70.08
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057876	1	39	0.0	-75.34	321.76	-2.73	-78.07
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCS1	REAL250005057877	0	34	-1.0	-51.50	302.55	0.83	-50.67
CC(C)(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057878	0	33	-1.0	-48.54	288.79	-3.45	-51.99
CC1=CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057879	0	31	-1.0	-50.90	283.82	0.61	-50.29
CN(C)C(=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057880	0	33	-1.0	-50.65	290.82	-2.04	-52.69
CSC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057881	0	31	-1.0	-47.84	293.95	0.04	-47.80
CCC(C)(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057882	0	36	-1.0	-47.28	305.64	-2.75	-50.03
CC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057883	0	38	0.0	-74.62	311.62	0.52	-74.10
CC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057883	1	38	0.0	-65.88	311.65	0.51	-65.37
CCN(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057883	1	37	-1.0	-47.65	309.81	-1.75	-49.40
CC(C)(F)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057884	0	38	-1.0	-47.00	323.84	1.21	-45.79
CCC=CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057885	0	37	-1.0	-47.54	328.17	1.93	-45.61
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL250005057886	0	30	-2.0	-92.01	284.17	-4.19	-96.20
CC1=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CN1	REAL250005057887	0	34	-1.0	-51.23	302.87	-0.13	-51.36
COCC(C)(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057888	0	37	-1.0	-48.82	321.28	-3.88	-52.70
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005057889	0	37	-1.0	-49.54	311.72	1.76	-47.78
C=C1CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057890	0	34	-1.0	-46.88	298.57	0.92	-45.96
CC(O)(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057891	0	37	-1.0	-46.77	314.10	-2.15	-48.92
CC1=NC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL250005057892	0	32	-1.0	-50.33	294.70	-3.11	-53.44
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005057893	0	33	-1.0	-54.70	288.83	0.57	-54.13
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005057894	0	30	-1.0	-54.58	275.63	-1.03	-55.61
CC1=NOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005057895	0	31	-1.0	-50.10	289.27	-3.11	-53.21
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CC2C1	REAL250005057896	0	37	-1.0	-46.90	310.75	1.67	-45.23
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCSC1	REAL250005057897	0	32	-1.0	-50.36	293.93	0.70	-49.66
CCCC(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057898	0	39	-1.0	-49.36	332.00	-0.96	-50.32
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005057899	0	30	-1.0	-47.50	284.30	0.44	-47.06
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005057900	0	32	-1.0	-48.57	286.42	-0.99	-49.56
C[NH+](C)CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057901	0	39	0.0	-71.41	329.88	1.06	-70.35
CCC[C@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057902	0	36	-1.0	-51.21	311.08	-1.41	-52.62
CCC(C)(OC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057903	0	39	-1.0	-53.93	321.26	0.27	-53.66
CC(C)[C@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057904	0	36	-1.0	-51.03	305.95	-1.46	-52.49
CC(C)C(CO)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057905	0	39	-1.0	-48.06	320.84	-1.84	-49.90
CCOC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057906	0	34	-1.0	-48.63	304.97	-0.65	-49.28
CCN1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057907	0	38	-1.0	-53.24	322.42	-2.02	-55.26
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057907	1	39	0.0	-63.67	318.72	0.56	-63.11
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057907	1	39	0.0	-73.58	325.37	0.90	-72.68
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC1O	REAL250005057908	0	37	-1.0	-51.27	312.04	-2.25	-53.52
C[C@@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057909	0	30	-1.0	-51.43	269.10	-3.02	-54.45
NC(=O)C(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057910	0	34	-1.0	-55.56	305.40	-5.43	-60.99
CCC(C)=C(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057911	0	39	-1.0	-49.46	323.24	1.85	-47.61
COC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005057912	0	37	-1.0	-47.61	313.05	-0.66	-48.27
CC(C)(O)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057913	0	39	-1.0	-47.92	328.22	-2.08	-50.00
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CSN=C1	REAL250005057914	0	29	-1.0	-47.83	279.62	-0.93	-48.76
CC1CC(C)(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057915	0	39	-1.0	-50.12	322.81	1.64	-48.48
CNC(=O)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057916	0	36	-1.0	-51.79	317.94	-2.56	-54.35
O=C(CCCCF)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057917	0	35	-1.0	-47.90	307.92	0.81	-47.09
O=C(C=CCO)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057918	0	31	-1.0	-49.92	283.01	-3.62	-53.54
O=C(CC1=CN=CO1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057919	0	32	-1.0	-57.46	293.60	-2.96	-60.42
COC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057920	0	36	-1.0	-54.05	302.76	-0.33	-54.38
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057921	0	41	0.0	-77.94	321.36	0.98	-76.96
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)CO	REAL250005057922	0	30	-1.0	-50.70	279.70	-2.67	-53.37
O=C(CCCCO)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057923	0	36	-1.0	-48.93	312.75	-2.67	-51.60
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=NO1	REAL250005057924	0	32	-1.0	-48.66	290.67	-0.33	-48.99
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CNC(=O)C1	REAL250005057925	0	34	-1.0	-54.73	298.70	-3.23	-57.96
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CNC(=O)N1	REAL250005057926	0	33	-1.0	-55.68	294.40	-5.37	-61.05
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CS1	REAL250005057927	0	29	-1.0	-48.46	280.88	-1.44	-49.90
CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL250005057928	0	34	-1.0	-48.78	302.75	-0.22	-49.00
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005057929	0	34	-1.0	-49.75	301.23	-2.95	-52.70
COC1(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057930	0	37	-1.0	-54.02	319.80	-0.60	-54.62
CC[C@H](C)[C@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057931	0	39	-1.0	-47.59	321.81	-1.75	-49.34
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@]12C[C@H]1[C@H](O)C2	REAL250005057932	0	35	-1.0	-50.13	308.69	-2.31	-52.44
O=C(CCCCCF)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057933	0	38	-1.0	-48.67	329.42	1.60	-47.07
COC(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057934	0	30	-1.0	-50.06	276.95	-2.04	-52.10
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC1CC2	REAL250005057935	0	34	-1.0	-47.43	297.31	1.09	-46.34
CCCC(C)=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057936	0	39	-1.0	-46.64	330.83	1.97	-44.67
C=C[C@H](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057937	0	36	-1.0	-46.59	309.34	1.00	-45.59
O=C(C=CC1CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057938	0	34	-1.0	-47.42	303.88	1.31	-46.11
CC=C(CC)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057939	0	36	-1.0	-47.36	307.67	1.12	-46.24
O=C(CC12CC(C1)C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057940	0	37	-1.0	-51.61	311.95	1.91	-49.70
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)O	REAL250005057941	0	39	-1.0	-45.86	318.88	-0.76	-46.62
C=CC(C)(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057942	0	34	-1.0	-46.57	299.00	-2.71	-49.28
CCC(C)(CO)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057943	0	39	-1.0	-47.38	322.05	-2.35	-49.73
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057944	0	39	0.0	-78.30	317.70	0.87	-77.43
CN(C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057944	1	38	-1.0	-46.38	320.42	-1.27	-47.65
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)CO2	REAL250005057945	0	35	-1.0	-48.30	301.71	-0.80	-49.10
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)(C)O	REAL250005057946	0	39	-1.0	-52.91	323.34	-1.22	-54.13
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)OC2	REAL250005057947	0	35	-1.0	-47.52	302.70	-1.11	-48.63
CC(O)C1CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057948	0	37	-1.0	-48.73	314.80	-0.53	-49.26
C[C@@H]1C[C@@]2(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C[C@@H]12	REAL250005057949	0	37	-1.0	-50.45	318.26	1.74	-48.71
O=C(CN1C=NC=N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057950	0	32	-1.0	-61.40	293.14	1.06	-60.34
CC1(C#CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057951	0	35	-1.0	-49.25	318.34	1.82	-47.43
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005057952	0	31	-1.0	-50.93	279.30	0.47	-50.46
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C(F)O1	REAL250005057953	0	30	-1.0	-48.23	284.37	-0.46	-48.69
CON=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057954	0	30	-1.0	-50.05	280.79	-2.30	-52.35
C#CCC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057955	0	37	-1.0	-50.08	320.20	1.44	-48.64
CN(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(N)=O	REAL250005057956	0	35	-1.0	-58.08	308.39	-3.38	-61.46
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL250005057957	0	29	-2.0	-94.72	278.76	-5.48	-100.20
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005057958	0	30	-1.0	-47.86	275.02	-0.05	-47.91
O=C(COCCO)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057959	0	34	-1.0	-53.47	304.28	-3.69	-57.16
CC(C)(CF)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057960	0	35	-1.0	-49.10	301.74	0.45	-48.65
CC(C)[C@@H](O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057961	0	39	-1.0	-54.20	327.15	-1.23	-55.43
CSC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057962	0	34	-1.0	-47.90	312.16	0.94	-46.96
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005057963	0	31	-1.0	-48.18	282.21	-1.94	-50.12
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CCO)CC1	REAL250005057964	0	37	-1.0	-49.32	321.92	-2.27	-51.59
CC(C)C(C)(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057965	0	39	-1.0	-46.16	320.37	-2.01	-48.17
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057966	0	41	0.0	-68.22	332.38	1.13	-67.09
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NN=CS1	REAL250005057967	0	28	-1.0	-51.92	276.90	-2.52	-54.44
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)C1CCC1	REAL250005057968	0	36	-1.0	-50.62	308.06	1.25	-49.37
CC1(C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL250005057969	0	37	-1.0	-50.28	318.79	0.04	-50.24
CC1CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL250005057970	0	34	-1.0	-49.67	303.46	-1.26	-50.93
CC1(F)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057971	0	36	-1.0	-49.20	312.39	1.17	-48.03
COCC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057972	0	34	-1.0	-49.77	302.48	-3.71	-53.48
C#CC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057973	0	34	-1.0	-53.05	302.56	0.81	-52.24
COC(C)C(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057974	0	37	-1.0	-47.35	320.76	-2.86	-50.21
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CNC(=O)N1	REAL250005057975	0	33	-1.0	-61.34	294.55	-5.44	-66.78
CCSC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057976	0	36	-1.0	-52.76	321.38	1.00	-51.76
CC1CCN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057977	0	38	-1.0	-52.70	322.13	-1.96	-54.66
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057977	1	39	0.0	-64.80	319.57	0.73	-64.07
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057977	1	39	0.0	-73.56	325.04	1.00	-72.56
O=C(COC1CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057978	0	34	-1.0	-55.20	303.25	0.23	-54.97
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005057979	0	30	-1.0	-51.95	276.78	-1.84	-53.79
O=C(C=CC1CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057980	0	37	-1.0	-47.16	320.31	1.84	-45.32
CCCC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057981	0	36	-1.0	-47.16	314.49	1.28	-45.88
CC=C(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057982	0	30	-1.0	-47.39	276.87	-0.20	-47.59
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL250005057983	0	41	-1.0	-45.97	327.46	1.53	-44.44
CSC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057984	0	36	-1.0	-53.34	313.66	0.71	-52.63
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)=C1CCC1	REAL250005057985	0	34	-1.0	-47.56	303.09	1.21	-46.35
CCC(CO)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057986	0	36	-1.0	-46.91	304.37	-2.46	-49.37
CC(CO)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057987	0	33	-1.0	-50.28	288.44	-3.49	-53.77
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CON=C1	REAL250005057988	0	29	-1.0	-51.09	272.03	-1.14	-52.23
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005057989	0	33	-1.0	-48.37	296.86	0.70	-47.67
C#CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057990	0	32	-1.0	-47.46	294.55	0.96	-46.50
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005057991	0	32	-1.0	-50.74	285.00	-1.03	-51.77
C[C@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057992	0	30	-1.0	-51.27	268.93	-2.94	-54.21
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(F)=NN1	REAL250005057993	0	30	-1.0	-48.24	282.66	-2.29	-50.53
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C=CCC1	REAL250005057994	0	34	-1.0	-46.88	293.89	0.92	-45.96
CC(O)C(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057995	0	36	-1.0	-53.61	302.26	-1.60	-55.21
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCOC1	REAL250005057996	0	35	-1.0	-52.45	300.50	-4.62	-57.07
C=C1CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057997	0	31	-1.0	-47.53	282.42	0.47	-47.06
O=C(CC1CC=CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057998	0	37	-1.0	-47.24	314.37	1.63	-45.61
NC(=[NH2+])SCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057999	0	33	0.0	-66.81	302.45	-3.28	-70.09
O=C(CCC[N+](=O)[O-])NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058000	0	34	-1.0	-52.45	308.93	0.30	-52.15
CC(CF)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058001	0	32	-1.0	-49.41	283.83	-0.07	-49.48
CC1(C)C=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058002	0	37	-1.0	-47.64	321.13	1.61	-46.03
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC1(F)F	REAL250005058003	0	30	-1.0	-47.68	281.85	0.05	-47.63
CC(=O)NCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058004	0	36	-1.0	-55.47	319.14	-2.56	-58.03
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC(=O)N1	REAL250005058005	0	31	-1.0	-53.69	285.35	-3.95	-57.64
CC1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058006	0	39	-1.0	-46.71	322.10	1.63	-45.08
C=C(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058007	0	33	-1.0	-47.33	292.89	0.33	-47.00
CCSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058008	0	33	-1.0	-48.91	302.86	0.45	-48.46
CC(C)=C(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058009	0	36	-1.0	-47.12	302.74	1.14	-45.98
CCCC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058010	0	36	-1.0	-47.05	311.12	-1.43	-48.48
CCCCC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058011	0	39	-1.0	-47.04	332.62	-0.64	-47.68
COC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)O	REAL250005058012	0	37	-1.0	-49.77	317.96	-3.10	-52.87
O=C(CSC1CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058013	0	34	-1.0	-53.02	313.42	1.27	-51.75
CCC(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058014	0	36	-1.0	-49.51	310.50	-1.74	-51.25
CC(Cl)=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058015	0	30	-1.0	-48.29	283.88	0.24	-48.05
CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058016	0	30	-1.0	-47.57	271.90	-0.26	-47.83
CCC(F)(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058017	0	32	-1.0	-47.31	290.09	0.03	-47.28
CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005058018	0	33	-1.0	-50.05	291.28	0.61	-49.44
O=C(C1=CC(=O)[N-]O1)N1CC(NC(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005058019	0	34	-1.0	-54.66	296.32	-2.94	-57.60
CC1(C)CC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058020	0	39	-1.0	-47.10	329.28	1.81	-45.29
CC(NC(N)=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058021	0	35	-1.0	-52.64	309.46	-5.13	-57.77
C=C(C)CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058022	0	39	-1.0	-47.57	335.75	1.90	-45.67
CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC(F)C1	REAL250005058023	0	36	-1.0	-52.40	308.48	1.09	-51.31
C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058024	0	33	-1.0	-50.42	290.21	0.57	-49.85
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250005058025	0	37	-1.0	-47.14	311.30	1.64	-45.50
O=C(COC1COC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058026	0	35	-1.0	-55.61	310.50	-1.91	-57.52
C[C@@H]1C[C@]2(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C[C@H]12	REAL250005058027	0	37	-1.0	-50.10	316.81	1.78	-48.32
CNC(=O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058028	0	33	-1.0	-56.51	294.42	-1.84	-58.35
C=CC=CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058029	0	34	-1.0	-47.69	306.49	1.10	-46.59
C#CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005058030	0	35	-1.0	-48.99	309.99	1.49	-47.50
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058031	0	39	0.0	-70.48	319.38	0.89	-69.59
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058031	1	39	0.0	-74.21	313.79	0.47	-73.74
CN1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058031	1	38	-1.0	-52.26	319.21	-1.30	-53.56
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC=CCO1	REAL250005058032	0	35	-1.0	-53.62	304.37	0.36	-53.26
O=C(CCOC1CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058033	0	37	-1.0	-47.84	324.22	-0.05	-47.89
O=C(CCCCCO)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058034	0	39	-1.0	-49.74	334.25	-1.88	-51.62
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CSC=N1	REAL250005058035	0	29	-1.0	-50.28	280.94	-1.56	-51.84
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CCC1	REAL250005058036	0	37	-1.0	-49.28	310.09	-1.77	-51.05
NC(=O)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058037	0	33	-1.0	-51.60	296.01	-4.04	-55.64
C=CCC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058038	0	37	-1.0	-47.63	323.88	1.68	-45.95
O=C(COC(F)F)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058039	0	30	-1.0	-50.15	282.65	-1.16	-51.31
COC(C)(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058040	0	39	-1.0	-48.10	320.88	0.36	-47.74
CC(O)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058041	0	36	-1.0	-48.17	311.67	-2.61	-50.78
C#CCC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058042	0	34	-1.0	-50.32	303.46	0.97	-49.35
CC(CCO)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058043	0	36	-1.0	-49.76	307.42	-2.93	-52.69
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)=CC1CC1	REAL250005058044	0	34	-1.0	-47.46	308.42	1.36	-46.10
O=C(CC1CC(F)C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058045	0	36	-1.0	-49.37	312.71	1.34	-48.03
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005058046	0	30	-1.0	-52.26	275.40	-2.85	-55.11
CN1C=NN=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058047	0	32	-1.0	-54.92	290.19	0.52	-54.40
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005058048	0	31	-1.0	-49.73	276.99	-3.11	-52.84
O=C(CC1CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058049	0	33	-1.0	-46.03	291.12	0.86	-45.17
CC(C)(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058050	0	32	-1.0	-44.68	282.21	-0.23	-44.91
CC(F)(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058051	0	29	-1.0	-44.26	270.65	-0.64	-44.90
COCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058052	0	30	-1.0	-48.94	272.90	-1.28	-50.22
O=C(NC1CN(C(=O)C2=CC=CC=N2)C1)C1=CC(=O)[N-]O1	REAL250005058053	0	32	-1.0	-49.24	290.25	-0.01	-49.25
O=C(NC1CN(C(=O)C2=CC=NC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058054	0	32	-1.0	-49.47	286.70	-0.65	-50.12
CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058055	0	32	-1.0	-45.75	281.68	0.09	-45.66
O=C(NC1CN(C(=O)C2=CC=CN=C2)C1)C1=CC(=O)[N-]O1	REAL250005058056	0	32	-1.0	-50.37	286.34	-0.60	-50.97
O=C(NC1CN(C(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005058057	0	30	-1.0	-48.73	277.86	-0.51	-49.24
CC(=O)NCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058058	0	33	-1.0	-48.51	298.84	-3.00	-51.51
O=C(NC1CN(C(=O)C2=CC=CC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058059	0	33	-1.0	-47.37	291.34	1.16	-46.21
CC(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058060	0	35	-1.0	-45.39	298.40	0.68	-44.71
O=C(NC1CN(C(=O)C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL250005058061	0	39	-1.0	-46.73	319.12	1.58	-45.15
O=C(NC1CN(C(=O)C2=CN=CC=N2)C1)C1=CC(=O)[N-]O1	REAL250005058062	0	31	-1.0	-49.14	285.06	-1.89	-51.03
O=C(CC1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058063	0	39	-1.0	-45.52	323.43	1.93	-43.59
O=C(NC1CN(C(=O)C2=CC=CS2)C1)C1=CC(=O)[N-]O1	REAL250005058064	0	30	-1.0	-47.76	283.46	0.32	-47.44
CC1CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058065	0	33	-1.0	-45.90	292.08	0.76	-45.14
CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058066	0	33	-1.0	-48.85	294.76	-0.32	-49.17
CC(C)=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058067	0	33	-1.0	-45.57	289.40	0.60	-44.97
O=C(NC1CN(C(=O)C2=COCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058068	0	33	-1.0	-46.57	292.80	-1.53	-48.10
CC(=O)NC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058069	0	36	-1.0	-48.59	315.80	-2.42	-51.01
CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL250005058070	0	33	-1.0	-48.29	299.64	0.39	-47.90
O=C(NC1CN(C(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058071	0	34	-1.0	-49.55	296.71	-0.18	-49.73
CSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058072	0	30	-1.0	-47.97	283.24	-0.25	-48.22
CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL250005058073	0	32	-1.0	-47.77	294.30	-0.33	-48.10
CSCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058074	0	33	-1.0	-45.59	304.96	0.50	-45.09
CC(C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058075	0	38	-1.0	-45.60	320.75	1.38	-44.22
O=C(NC1CN(C(=O)C2=CSC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058076	0	30	-1.0	-48.71	282.83	0.16	-48.55
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=CO1	REAL250005058077	0	33	-1.0	-46.93	292.43	0.03	-46.90
O=C(CC1C=CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058078	0	37	-1.0	-46.81	315.58	1.85	-44.96
O=C(CN1C=NN=N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058079	0	31	-1.0	-61.63	289.03	-1.14	-62.77
CN1C=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL250005058080	0	33	-1.0	-50.67	295.80	-0.97	-51.64
O=C(NC1CN(C(=O)C2CC=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058081	0	37	-1.0	-45.35	311.07	1.58	-43.77
CC1=NOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005058082	0	32	-1.0	-46.49	294.40	-0.52	-47.01
O=C(NC1CN(C(=O)C2=CC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005058083	0	31	-1.0	-49.74	278.43	-0.61	-50.35
CC(=O)CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058084	0	37	-1.0	-53.69	326.38	0.78	-52.91
O=C(NC1CN(C(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058085	0	30	-1.0	-50.74	274.43	-0.80	-51.54
O=C(CN1C=CC=N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058086	0	33	-1.0	-55.66	300.45	-0.26	-55.92
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)OC=C1	REAL250005058087	0	33	-1.0	-47.13	295.59	0.25	-46.88
CCCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058088	0	38	-1.0	-45.72	324.68	1.65	-44.07
CC(C)(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058089	0	38	-1.0	-44.58	313.37	1.19	-43.39
CN1C=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058090	0	34	-1.0	-48.98	295.93	0.72	-48.26
CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058091	0	35	-1.0	-45.81	303.18	0.87	-44.94
CC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058092	0	32	-1.0	-45.67	277.11	-0.25	-45.92
CCC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058093	0	35	-1.0	-45.59	299.37	0.52	-45.07
CC(C)SCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058094	0	36	-1.0	-47.60	322.98	1.28	-46.32
N#CCSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058095	0	31	-1.0	-54.04	304.06	0.39	-53.65
CC(=O)N(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058096	0	36	-1.0	-53.15	317.76	-0.63	-53.78
CCC(CC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058097	0	38	-1.0	-45.53	318.35	1.14	-44.39
CC(C)OCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058098	0	39	-1.0	-45.73	335.98	0.10	-45.63
O=C(NC1CN(C(=O)C2COCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058099	0	35	-1.0	-48.93	302.65	-1.42	-50.35
O=C(NC1CN(C(=O)C2=NNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058100	0	30	-1.0	-51.00	276.44	-1.98	-52.98
O=C(NC1CN(C(=O)C2=CC=NN2)C1)C1=CC(=O)[N-]O1	REAL250005058100	1	30	-1.0	-48.79	273.29	-2.06	-50.85
CSC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058101	0	33	-1.0	-47.92	301.64	0.31	-47.61
CCOC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058102	0	36	-1.0	-48.58	311.12	0.19	-48.39
CCOCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058103	0	39	-1.0	-48.23	337.25	0.07	-48.16
O=C(COCC1CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058104	0	37	-1.0	-49.08	326.43	1.27	-47.81
O=C(CC1CCCO1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058105	0	37	-1.0	-50.68	316.23	0.32	-50.36
O=C(NC1CN(C(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005058106	0	30	-1.0	-49.76	272.86	-2.28	-52.04
COCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058107	0	36	-1.0	-48.12	315.35	-0.84	-48.96
CCSCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058108	0	36	-1.0	-45.41	326.38	1.44	-43.97
CCOC1CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058109	0	37	-1.0	-49.37	323.84	1.32	-48.05
O=C(NC1CN(C(=O)C2=NSN=C2)C1)C1=CC(=O)[N-]O1	REAL250005058110	0	28	-1.0	-46.42	274.35	-2.45	-48.87
O=C(NC1CN(C(=O)C2=CN=NS2)C1)C1=CC(=O)[N-]O1	REAL250005058111	0	28	-1.0	-48.36	274.09	-2.09	-50.45
COC(=O)NCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058112	0	34	-1.0	-47.90	309.68	-3.59	-51.49
O=C(NC1CN(C(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058113	0	29	-1.0	-49.81	272.39	-1.18	-50.99
CCCSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058114	0	36	-1.0	-47.59	326.21	1.44	-46.15
CC(=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058115	0	37	-1.0	-45.18	316.87	2.03	-43.15
CC1=NNC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005058116	0	33	-1.0	-49.03	295.24	-1.49	-50.52
CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL250005058116	1	33	-1.0	-50.35	298.37	-1.41	-51.76
O=C(NC1CN(C(=O)C2=CN=CS2)C1)C1=CC(=O)[N-]O1	REAL250005058117	0	29	-1.0	-47.12	278.67	-1.60	-48.72
CCC=C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058118	0	36	-1.0	-46.26	303.59	0.87	-45.39
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)N=CO1	REAL250005058119	0	32	-1.0	-47.86	290.36	-2.63	-50.49
CCOC(CC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058120	0	39	-1.0	-47.31	332.38	1.01	-46.30
O=C(CC(F)(F)F)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058121	0	29	-1.0	-48.38	277.60	-0.27	-48.65
COC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058122	0	33	-1.0	-48.62	289.27	-0.75	-49.37
CC(C)OCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058123	0	36	-1.0	-48.73	315.03	0.42	-48.31
CCCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058124	0	36	-1.0	-48.68	316.25	0.48	-48.20
O=C(NC1CN(C(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005058125	0	34	-1.0	-47.84	291.51	-1.50	-49.34
CN1N=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058126	0	33	-1.0	-47.01	290.92	-1.02	-48.03
CCC(OC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058127	0	36	-1.0	-47.41	311.33	0.09	-47.32
COCCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058128	0	39	-1.0	-46.81	336.90	-0.12	-46.93
CCCC(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058129	0	41	-1.0	-45.23	338.13	2.10	-43.13
COC(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058130	0	36	-1.0	-47.09	312.99	-0.07	-47.16
C=CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058131	0	33	-1.0	-45.73	294.49	0.65	-45.08
O=C(NC1CN(C(=O)C2=COCCC2)C1)C1=CC(=O)[N-]O1	REAL250005058132	0	35	-1.0	-48.74	296.01	-0.59	-49.33
O=C(NC1CN(C(=O)C2CCCOC2)C1)C1=CC(=O)[N-]O1	REAL250005058133	0	37	-1.0	-47.50	312.61	-0.62	-48.12
CCOCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058134	0	36	-1.0	-45.80	315.71	-0.64	-46.44
O=C(NC1CN(C(=O)C2=CSC=N2)C1)C1=CC(=O)[N-]O1	REAL250005058135	0	29	-1.0	-47.92	280.37	-1.22	-49.14
COCC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058136	0	36	-1.0	-45.38	313.98	-1.03	-46.41
C=CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058137	0	34	-1.0	-49.17	307.66	0.26	-48.91
O=C(NC1CN(C(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005058138	0	29	-1.0	-48.33	272.37	-3.46	-51.79
O=C(NC1CN(C(=O)[C@H]2CCC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058139	0	34	-1.0	-53.13	302.55	-2.83	-55.96
CC1=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CN1	REAL250005058140	0	33	-1.0	-51.09	298.38	-0.94	-52.03
CC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL250005058140	1	33	-1.0	-48.41	295.19	-1.02	-49.43
CSCC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058141	0	36	-1.0	-45.15	323.76	1.03	-44.12
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058142	0	39	0.0	-64.62	318.90	0.87	-63.75
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058142	1	39	0.0	-61.66	321.29	0.98	-60.68
CCC(=O)NCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058143	0	36	-1.0	-48.23	319.15	-2.19	-50.42
CC(C)(C)C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058144	0	39	-1.0	-45.71	331.43	1.71	-44.00
CC(C#N)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058145	0	30	-1.0	-51.65	276.53	-0.63	-52.28
COCCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058146	0	37	-1.0	-51.38	328.38	-1.07	-52.45
CCCC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058147	0	38	-1.0	-45.55	320.87	1.28	-44.27
CC(C)(C)C(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058148	0	37	-1.0	-44.28	315.30	0.29	-43.99
O=C(CCC1CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058149	0	36	-1.0	-46.63	313.34	1.66	-44.97
CCCCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058150	0	39	-1.0	-48.63	337.75	1.27	-47.36
O=C(CC1=NOC=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058151	0	32	-1.0	-52.71	294.48	-0.40	-53.11
O=C(CC1CCOC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058152	0	37	-1.0	-47.51	314.53	-0.64	-48.15
O=C(NC1CN(C(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005058153	0	34	-1.0	-45.64	295.58	1.08	-44.56
O=C(CC1=NNC=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058154	0	33	-1.0	-54.44	299.32	-1.24	-55.68
O=C(CC1=CC=NN1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058154	1	33	-1.0	-51.30	300.16	-1.44	-52.74
O=C(CC1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058155	0	36	-1.0	-47.09	308.05	1.31	-45.78
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL250005058156	0	32	-1.0	-49.12	290.68	-3.18	-52.30
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058157	0	36	-1.0	-47.20	306.79	1.13	-46.07
O=C(NC1CN(C(=O)C2C3CCCC32)C1)C1=CC(=O)[N-]O1	REAL250005058158	0	37	-1.0	-45.49	307.11	2.15	-43.34
O=C(CCC1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058159	0	39	-1.0	-45.57	329.91	2.17	-43.40
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=CN1	REAL250005058160	0	34	-1.0	-49.94	296.26	-0.33	-50.27
CC=C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058161	0	33	-1.0	-46.45	283.41	0.13	-46.32
CC1CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058162	0	36	-1.0	-45.99	307.35	1.15	-44.84
O=C(C=C1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058163	0	34	-1.0	-47.55	299.27	1.23	-46.32
CCC(=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)CC	REAL250005058164	0	39	-1.0	-44.85	329.71	2.10	-42.75
CC(C)=C(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058165	0	33	-1.0	-44.50	292.21	0.53	-43.97
O=C(NC1CN(C(=O)C2=CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005058166	0	34	-1.0	-47.42	292.00	0.82	-46.60
CN1C=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005058167	0	34	-1.0	-49.23	300.66	0.90	-48.33
CN1C=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005058168	0	33	-1.0	-51.81	299.07	0.92	-50.89
O=C(NC1CN(C(=O)C2CCCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058169	0	37	-1.0	-50.42	311.95	0.51	-49.91
CCC(SC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058170	0	36	-1.0	-45.36	317.13	1.01	-44.35
CC1(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058171	0	36	-1.0	-46.17	307.34	1.31	-44.86
CCC(C)OCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058172	0	39	-1.0	-48.61	335.80	1.23	-47.38
CC1(C)C[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058173	0	36	-1.0	-46.46	307.35	1.23	-45.23
CSC(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058174	0	36	-1.0	-47.18	320.74	1.12	-46.06
O=C(NC1CN(C(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058175	0	34	-1.0	-49.25	294.67	-0.23	-49.48
C#CCCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058176	0	37	-1.0	-46.83	330.46	2.17	-44.66
CC(C)(C)OCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058177	0	39	-1.0	-48.56	329.06	0.80	-47.76
CCNC(=O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058178	0	36	-1.0	-55.94	317.76	-0.76	-56.70
COC(C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058179	0	39	-1.0	-46.63	334.89	-0.07	-46.70
O=C(NC1CN(C(=O)C2=CN=CN=C2)C1)C1=CC(=O)[N-]O1	REAL250005058180	0	31	-1.0	-46.84	281.29	-0.81	-47.65
O=C(NC1CN(C(=O)C2=CCOCC2)C1)C1=CC(=O)[N-]O1	REAL250005058181	0	35	-1.0	-49.16	297.45	-1.10	-50.26
O=C(CC1=COC=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058182	0	33	-1.0	-48.74	300.93	0.26	-48.48
CC1=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CO1	REAL250005058183	0	32	-1.0	-47.53	294.36	-2.74	-50.27
C[C@H](NC(N)=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058184	0	35	-1.0	-51.83	312.58	-5.15	-56.98
CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CO1	REAL250005058185	0	33	-1.0	-50.63	296.35	0.04	-50.59
CCC(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058186	0	38	-1.0	-45.31	316.64	1.35	-43.96
C#CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058187	0	34	-1.0	-48.26	308.96	1.39	-46.87
C=CC(C)(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058188	0	37	-1.0	-47.63	317.05	-0.84	-48.47
CC(C)(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058189	0	36	-1.0	-48.27	307.16	-1.56	-49.83
COC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058190	0	37	-1.0	-49.10	319.05	0.90	-48.20
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)NC=C1	REAL250005058191	0	34	-1.0	-49.53	296.47	-0.02	-49.55
CN1N=NC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058192	0	32	-1.0	-49.67	286.03	-2.35	-52.02
O=C(NC1CN(C(=O)C2COC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058193	0	32	-1.0	-55.84	292.63	-4.17	-60.01
CCCCC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058194	0	41	-1.0	-45.43	342.37	2.06	-43.37
CC1(C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058195	0	39	-1.0	-45.46	327.20	1.69	-43.77
CC(C)[C@@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058196	0	36	-1.0	-46.19	305.34	-1.47	-47.66
CN1C=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)N=N1	REAL250005058197	0	32	-1.0	-50.54	294.40	-2.04	-52.58
CN1C=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005058198	0	32	-1.0	-53.86	293.99	0.11	-53.75
O=C(NC1CN(C(=O)C2CC2(F)F)C1)C1=CC(=O)[N-]O1	REAL250005058199	0	30	-1.0	-48.73	282.19	0.28	-48.45
CCC(C)=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058200	0	36	-1.0	-45.26	310.95	1.36	-43.90
CC(C)C#CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058201	0	34	-1.0	-47.18	309.55	1.32	-45.86
O=C(CC1(O)CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058202	0	37	-1.0	-49.98	317.47	-1.63	-51.61
CC1=CNN=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058203	0	33	-1.0	-50.69	294.88	-1.30	-51.99
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)=C1CCC1	REAL250005058204	0	37	-1.0	-50.65	312.74	1.56	-49.09
O=C(C#CC1CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058205	0	32	-1.0	-47.48	299.23	1.50	-45.98
CC(C)(C)C#CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058206	0	37	-1.0	-47.02	329.69	1.86	-45.16
O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL250005058207	0	32	-1.0	-47.63	299.70	0.37	-47.26
COCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058208	0	33	-1.0	-45.90	293.90	-1.66	-47.56
O=C(NC1CN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005058209	0	30	-1.0	-46.07	270.72	0.01	-46.06
O=C(NC1CN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058210	0	33	-1.0	-46.78	286.95	0.60	-46.18
O=C(NC1CN(C(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005058211	0	36	-1.0	-47.01	300.30	1.02	-45.99
O=C(NC1CN(C(=O)C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL250005058212	0	37	-1.0	-46.85	308.03	-0.82	-47.67
CN1N=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005058213	0	32	-1.0	-47.50	294.08	-2.20	-49.70
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058214	0	41	0.0	-65.73	326.63	1.14	-64.59
CC1COC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058215	0	37	-1.0	-48.82	314.91	0.47	-48.35
O=C(NC1CN(C(=O)[C@]23C[C@H]2CCC3)C1)C1=CC(=O)[N-]O1	REAL250005058216	0	37	-1.0	-47.55	313.14	1.61	-45.94
O=C(NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058217	0	34	-1.0	-52.86	302.45	-2.79	-55.65
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058218	0	41	0.0	-64.26	335.07	1.38	-62.88
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058218	1	41	0.0	-64.44	335.07	1.36	-63.08
CC(C)(C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058219	0	41	-1.0	-45.52	336.91	1.77	-43.75
O=C(NC1CN(C(=O)C2=CC=NC=N2)C1)C1=CC(=O)[N-]O1	REAL250005058220	0	31	-1.0	-47.97	285.36	-0.22	-48.19
O=C(CC1=CC=CO1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058221	0	33	-1.0	-49.66	300.94	0.44	-49.22
O=C(NC1CN(C(=O)C2=NC=CC=N2)C1)C1=CC(=O)[N-]O1	REAL250005058222	0	31	-1.0	-53.35	285.84	-0.83	-54.18
CCC(C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058223	0	41	-1.0	-45.52	338.98	2.04	-43.48
O=C(NC1CN(C(=O)C2=CC=CN=N2)C1)C1=CC(=O)[N-]O1	REAL250005058224	0	31	-1.0	-49.68	285.21	-1.22	-50.90
CC1OCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058225	0	37	-1.0	-48.52	311.05	-0.85	-49.37
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCOC1	REAL250005058226	0	37	-1.0	-45.72	307.61	-1.20	-46.92
CCC(CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058227	0	41	-1.0	-45.36	330.82	1.79	-43.57
CCC(C)C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058228	0	41	-1.0	-45.09	329.31	1.60	-43.49
CCCC(CC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058229	0	41	-1.0	-45.46	339.49	1.83	-43.63
CCC1(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058230	0	39	-1.0	-46.33	324.46	1.88	-44.45
COCC(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058231	0	39	-1.0	-47.31	331.35	-0.21	-47.52
O=C(NC1CN(C(=O)C2CCC(F)C2)C1)C1=CC(=O)[N-]O1	REAL250005058232	0	36	-1.0	-47.28	310.69	1.21	-46.07
CC1(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058233	0	39	-1.0	-46.63	329.69	2.01	-44.62
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)ON=C1	REAL250005058234	0	32	-1.0	-47.79	290.96	-0.45	-48.24
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058235	0	41	0.0	-68.89	335.86	1.26	-67.63
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058235	1	41	0.0	-68.92	335.86	1.26	-67.66
CC1=CON=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058236	0	32	-1.0	-49.55	291.23	-0.48	-50.03
O=C(CN1N=CN=N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058237	0	31	-1.0	-53.22	290.51	-1.53	-54.75
CCCC[C@@H](C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058238	0	41	-1.0	-49.15	342.05	1.97	-47.18
CCC(C)(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058239	0	41	-1.0	-44.53	327.60	1.67	-42.86
CC(C)C(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058240	0	41	-1.0	-45.47	321.64	0.97	-44.50
C=CC(C)(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058241	0	39	-1.0	-44.37	322.08	1.54	-42.83
O=C(CN1N=CC=N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058242	0	32	-1.0	-54.34	295.87	-1.98	-56.32
C=CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058243	0	36	-1.0	-46.08	315.99	1.43	-44.65
CCC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058244	0	38	-1.0	-45.66	305.71	0.57	-45.09
CCCC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058245	0	41	-1.0	-45.74	327.21	1.34	-44.40
NC(=O)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058246	0	34	-1.0	-47.36	309.24	-3.45	-50.81
NC(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058247	0	27	-1.0	-46.34	253.32	-5.44	-51.78
CC1=NOC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058248	0	32	-1.0	-49.61	288.41	-0.63	-50.24
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC=CC1	REAL250005058249	0	37	-1.0	-46.00	308.53	1.27	-44.73
COC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL250005058250	0	39	-1.0	-47.17	329.07	0.63	-46.54
CC1CC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058251	0	36	-1.0	-45.92	312.50	1.53	-44.39
C=CC(C)(CC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058252	0	39	-1.0	-45.83	316.56	0.96	-44.87
O=C(C[C@H]1CCOC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058253	0	37	-1.0	-47.56	315.17	-0.64	-48.20
CCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058254	0	36	-1.0	-46.03	311.70	1.13	-44.90
CC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058255	0	35	-1.0	-47.93	291.81	0.09	-47.84
O=C(CC1=NN=CN1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058256	0	32	-1.0	-58.50	293.41	-0.28	-58.78
O=C(CC1=NC=NN1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058256	1	32	-1.0	-53.46	294.04	-0.70	-54.16
C=C(C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058257	0	36	-1.0	-45.42	316.10	1.31	-44.11
O=C(NC1CN(C(=O)C2=CC=NS2)C1)C1=CC(=O)[N-]O1	REAL250005058258	0	29	-1.0	-46.53	278.79	-0.98	-47.51
CC(F)(F)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058259	0	32	-1.0	-51.01	292.08	0.28	-50.73
CCCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058260	0	39	-1.0	-46.02	333.70	1.99	-44.03
COCC(OC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058261	0	37	-1.0	-47.86	324.19	-1.47	-49.33
CCC[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058262	0	39	-1.0	-46.94	335.04	2.23	-44.71
CC(C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058263	0	39	-1.0	-45.89	323.54	1.91	-43.98
C=C1CC(C)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058264	0	37	-1.0	-46.89	315.30	1.28	-45.61
O=C(NC1CN(C(=O)C2(CF)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058265	0	33	-1.0	-47.53	295.47	0.58	-46.95
O=C(NC1CN(C(=O)C2CC3(CC3)C2)C1)C1=CC(=O)[N-]O1	REAL250005058266	0	37	-1.0	-46.64	319.31	1.99	-44.65
CCCCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058267	0	41	-1.0	-45.74	346.17	2.43	-43.31
CC(C)C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058268	0	38	-1.0	-45.58	317.06	0.99	-44.59
CC1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058269	0	39	-1.0	-45.66	323.16	1.72	-43.94
C#CCOCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058270	0	35	-1.0	-47.23	321.49	-0.10	-47.33
C#CCOC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058271	0	35	-1.0	-51.04	316.91	0.74	-50.30
CC(C)(C(N)=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058272	0	36	-1.0	-52.89	306.24	-3.63	-56.52
O=C(NC1CN(C(=O)C2(C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058273	0	37	-1.0	-46.07	314.87	2.02	-44.05
COC1CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058274	0	37	-1.0	-45.91	319.81	-0.53	-46.44
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058275	0	34	-1.0	-55.02	306.61	-3.22	-58.24
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058276	0	41	0.0	-64.07	325.71	1.01	-63.06
O=C(NC1CN(C(=O)C2(CF)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058277	0	36	-1.0	-47.12	304.59	0.81	-46.31
CC[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058278	0	36	-1.0	-45.82	313.48	1.51	-44.31
CC(C)CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058279	0	41	-1.0	-45.61	342.24	2.15	-43.46
O=C(CN1C=NC=N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058280	0	32	-1.0	-55.40	295.20	1.16	-54.24
NC(=O)NCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058281	0	35	-1.0	-55.33	313.91	-5.15	-60.48
O=C(NC1CN(C(=O)C2=NSC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058282	0	29	-1.0	-48.16	279.75	-0.93	-49.09
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005058283	0	39	-1.0	-45.63	323.65	1.71	-43.92
CC1CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL250005058284	0	37	-1.0	-47.98	312.09	-0.78	-48.76
O=C(NC1CN(C(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005058285	0	34	-1.0	-46.31	303.15	1.55	-44.76
O=C(CC1=CN=CN1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058286	0	33	-1.0	-51.98	299.57	-0.22	-52.20
C=CCC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058287	0	39	-1.0	-45.52	320.57	1.17	-44.35
O=C(NC1CN(C(=O)C2CC23CCC3)C1)C1=CC(=O)[N-]O1	REAL250005058288	0	37	-1.0	-46.82	318.06	2.02	-44.80
CC1=CNC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058289	0	34	-1.0	-51.80	296.87	-0.19	-51.99
CN1C=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005058290	0	33	-1.0	-51.71	299.24	-0.64	-52.35
O=C(NC1CN(C(=O)C2(F)CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005058291	0	36	-1.0	-45.37	307.78	1.16	-44.21
CN1C=NC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058292	0	33	-1.0	-49.23	291.00	0.42	-48.81
CN(C)C(=O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058293	0	36	-1.0	-56.41	313.66	0.33	-56.08
O=C(NC1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005058294	0	37	-1.0	-45.95	324.41	2.26	-43.69
COCCC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058295	0	39	-1.0	-47.55	333.04	-0.43	-47.98
CCC(C)(CC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058296	0	41	-1.0	-45.63	321.65	1.05	-44.58
COCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058297	0	37	-1.0	-48.08	322.70	-0.51	-48.59
COCC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058298	0	39	-1.0	-45.30	323.01	-0.72	-46.02
O=C(NC1CN(C(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058299	0	34	-1.0	-49.15	294.41	-0.17	-49.32
O=C(CCC(F)F)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058300	0	32	-1.0	-47.88	294.39	0.29	-47.59
O=C(NC1CN(C(=O)C2=CC(F)=CN2)C1)C1=CC(=O)[N-]O1	REAL250005058301	0	31	-1.0	-50.33	284.96	-0.64	-50.97
CC1(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058302	0	36	-1.0	-46.62	310.48	1.28	-45.34
O=C(NC1CN(C(=O)C2(CCF)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058303	0	36	-1.0	-46.17	318.81	1.36	-44.81
O=C(NC1CN(C(=O)[C@]23C[C@H]2COC3)C1)C1=CC(=O)[N-]O1	REAL250005058304	0	35	-1.0	-48.20	304.57	-0.93	-49.13
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058305	0	33	-1.0	-48.12	290.82	0.50	-47.62
O=C(NC1CN(C(=O)C2=CNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058306	0	31	-1.0	-49.06	278.26	-0.89	-49.95
CC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058307	0	39	-1.0	-45.08	328.08	2.13	-42.95
O=C(NC1CN(C(=O)C2=CSN=N2)C1)C1=CC(=O)[N-]O1	REAL250005058308	0	28	-1.0	-47.78	275.21	-1.97	-49.75
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL250005058309	0	39	-1.0	-47.90	315.46	1.36	-46.54
O=C(NC1CN(C(=O)C2=CN=CO2)C1)C1=CC(=O)[N-]O1	REAL250005058310	0	29	-1.0	-49.26	272.71	-3.79	-53.05
CNC(=O)NCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058311	0	35	-1.0	-49.54	313.71	-4.36	-53.90
C=CCCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058312	0	37	-1.0	-48.66	329.07	1.05	-47.61
C=CCOC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058313	0	37	-1.0	-49.02	323.56	0.71	-48.31
NC(=O)CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058314	0	36	-1.0	-55.87	319.36	-3.07	-58.94
CC1=NNC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058315	0	33	-1.0	-49.18	291.14	-1.76	-50.94
CC1=NNN=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058316	0	32	-1.0	-47.48	289.79	-2.80	-50.28
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)NN=N1	REAL250005058316	1	32	-1.0	-48.85	286.37	-2.81	-51.66
CCCC(OC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058317	0	39	-1.0	-48.22	328.51	0.64	-47.58
C=C(C)C(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058318	0	39	-1.0	-44.85	320.48	1.09	-43.76
CC(CC(N)=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058319	0	36	-1.0	-48.47	314.53	-3.37	-51.84
O=C(NC1CN(C(=O)C2CCNC2=O)C1)C1=CC(=O)[N-]O1	REAL250005058320	0	34	-1.0	-48.12	297.44	-3.19	-51.31
C=CC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058321	0	36	-1.0	-45.42	301.06	0.52	-44.90
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058322	0	39	0.0	-60.90	314.89	0.44	-60.46
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058322	1	39	0.0	-64.21	317.13	0.90	-63.31
C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058323	0	33	-1.0	-45.97	292.13	0.70	-45.27
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005058324	0	36	-1.0	-47.29	301.08	0.73	-46.56
CCC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058325	0	32	-1.0	-46.10	286.85	0.06	-46.04
O=C(CCCF)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058326	0	32	-1.0	-48.08	288.27	0.22	-47.86
CC1=COC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058327	0	33	-1.0	-50.34	293.30	-0.12	-50.46
C[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058328	0	33	-1.0	-45.97	292.04	0.76	-45.21
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=CCC1	REAL250005058329	0	37	-1.0	-45.48	308.29	1.23	-44.25
CN1N=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005058330	0	31	-1.0	-51.73	288.93	-2.64	-54.37
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)NC=N1	REAL250005058331	0	33	-1.0	-48.90	291.31	-0.30	-49.20
CC(C)C(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058332	0	35	-1.0	-45.41	301.36	0.66	-44.75
C=CC(C)C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058333	0	39	-1.0	-44.80	325.63	1.54	-43.26
CCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005058334	0	39	-1.0	-46.73	320.75	1.37	-45.36
CC#CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058335	0	37	-1.0	-48.99	330.79	2.34	-46.65
O=C(NC1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)C1=CC(=O)[N-]O1	REAL250005058336	0	35	-1.0	-46.11	306.20	-0.53	-46.64
O=C(CCCC1CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058337	0	39	-1.0	-45.89	334.79	2.43	-43.46
CC1(C)CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058338	0	39	-1.0	-46.76	322.87	1.45	-45.31
CC1=COC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005058339	0	33	-1.0	-48.60	299.74	0.17	-48.43
C=CC(CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058340	0	39	-1.0	-45.38	331.73	1.90	-43.48
CC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058341	0	39	-1.0	-47.21	314.66	1.32	-45.89
O=C(NC1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)C1=CC(=O)[N-]O1	REAL250005058342	0	37	-1.0	-46.96	314.42	1.85	-45.11
O=C(CC1=CON=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058343	0	32	-1.0	-50.35	295.17	-0.29	-50.64
O=C(NC1CN(C(=O)C2(F)CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005058344	0	34	-1.0	-45.35	299.35	-1.43	-46.78
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)(C)C	REAL250005058345	0	41	-1.0	-45.08	328.10	1.73	-43.35
O=C(NC1CN(C(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005058346	0	29	-1.0	-47.60	271.20	-3.40	-51.00
NC(=O)C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058347	0	31	-1.0	-49.47	289.91	-4.07	-53.54
NC1=NNC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005058348	0	31	-1.0	-48.11	287.33	-1.69	-49.80
COC(=O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058349	0	32	-1.0	-52.89	292.12	0.33	-52.56
C#CCSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058350	0	32	-1.0	-49.85	310.48	1.17	-48.68
CSC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058351	0	31	-1.0	-46.08	295.41	0.21	-45.87
O=C(NC1CN(C(=O)C2(CO)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058352	0	37	-1.0	-49.92	314.12	-2.53	-52.45
NC(=O)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058353	0	33	-1.0	-48.93	297.86	-3.85	-52.78
C=CCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058354	0	37	-1.0	-46.14	325.38	1.80	-44.34
O=C(COC(F)F)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058355	0	30	-1.0	-48.58	284.50	-0.92	-49.50
O=C(NC1CN(C(=O)C2=CCCS2)C1)C1=CC(=O)[N-]O1	REAL250005058356	0	32	-1.0	-47.98	293.10	0.58	-47.40
CC1=NOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058357	0	34	-1.0	-53.87	305.46	-0.02	-53.89
O=C(NC1CC1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058358	0	34	-1.0	-47.47	306.99	-2.32	-49.79
NC1=NNC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL250005058359	0	32	-1.0	-49.60	289.40	-3.34	-52.94
O=C(NC1CN(C(=O)C2CCSC2)C1)C1=CC(=O)[N-]O1	REAL250005058360	0	34	-1.0	-45.78	301.06	0.81	-44.97
O=C(NC1CN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005058361	0	31	-1.0	-49.76	278.46	-1.13	-50.89
CCCC(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058362	0	39	-1.0	-48.66	333.85	-0.75	-49.41
CC(C)(CC#N)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058363	0	36	-1.0	-46.55	308.45	0.28	-46.27
O=C(NC1CN(C(=O)C2(Cl)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058364	0	30	-1.0	-44.84	281.06	0.24	-44.60
O=C(NC1CN(C(=O)C2=CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058365	0	32	-1.0	-47.85	286.10	-0.87	-48.72
O=C(NC1CN(C(=O)C2(CO)COC2)C1)C1=CC(=O)[N-]O1	REAL250005058366	0	35	-1.0	-51.01	302.17	-5.02	-56.03
CC(C)=CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058367	0	39	-1.0	-45.53	333.13	2.05	-43.48
O=C(NC1CN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005058368	0	31	-1.0	-51.01	277.42	-2.20	-53.21
CC1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL250005058369	0	37	-1.0	-49.36	315.62	0.60	-48.76
NC1=CNN=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058370	0	32	-1.0	-48.66	288.64	-3.84	-52.50
O=C(C=CCO)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058371	0	31	-1.0	-49.19	284.61	-3.46	-52.65
CC1=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL250005058372	0	32	-1.0	-54.32	293.19	-1.45	-55.77
CC1=NNC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005058372	1	32	-1.0	-47.61	293.21	-1.35	-48.96
O=C(NC1CN(C(=O)C2=COC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058373	0	30	-1.0	-50.53	278.63	-3.64	-54.17
O=C(NC1CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL250005058373	1	29	-2.0	-93.10	279.06	-4.61	-97.71
CC=CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058374	0	34	-1.0	-45.95	299.10	-1.37	-47.32
CCCC[C@H](C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058375	0	41	-1.0	-46.87	338.61	1.87	-45.00
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058376	0	38	0.0	-64.98	314.12	0.37	-64.61
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005058376	1	37	-1.0	-46.27	303.52	-2.17	-48.44
CCC=C(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058377	0	33	-1.0	-44.58	296.67	0.57	-44.01
CCC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058378	0	33	-1.0	-46.09	294.60	0.66	-45.43
O=C(NC1CN(C(=O)C2CNC(=O)C2)C1)C1=CC(=O)[N-]O1	REAL250005058379	0	34	-1.0	-51.20	300.76	-3.18	-54.38
NC1=NON=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058380	0	30	-1.0	-46.13	280.91	-2.72	-48.85
O=C(NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058381	0	33	-1.0	-54.47	296.42	-5.27	-59.74
O=C(NC1CN(C(=O)C2=CN=CS2)C1)C1=CC(=O)[N-]O1	REAL250005058382	0	29	-1.0	-47.12	278.67	-1.60	-48.72
[N-]=[N+]=NCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058383	0	31	-1.0	-45.24	290.32	-4.07	-49.31
C#CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058384	0	32	-1.0	-51.49	300.54	0.22	-51.27
O=C(CC1=NN=CO1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058385	0	31	-1.0	-57.20	290.38	-5.58	-62.78
CN(CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058386	0	38	-1.0	-49.00	322.81	-4.89	-53.89
C[N@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058386	1	39	0.0	-67.36	323.85	-2.54	-69.90
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058386	1	39	0.0	-64.23	323.70	-2.60	-66.83
O=C(NC1CN(C(=O)C2CCCS2)C1)C1=CC(=O)[N-]O1	REAL250005058387	0	34	-1.0	-46.85	303.79	0.91	-45.94
COC(C)(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058388	0	39	-1.0	-47.62	322.72	0.59	-47.03
CC(O)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058389	0	36	-1.0	-46.31	313.48	-2.42	-48.73
O=C(CN1C=CC=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058390	0	34	-1.0	-49.68	306.40	1.59	-48.09
C#CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058391	0	31	-1.0	-46.07	287.46	0.60	-45.47
CC(=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL250005058392	0	39	-1.0	-45.09	327.50	1.83	-43.26
COC1(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058393	0	37	-1.0	-48.49	322.98	0.32	-48.17
CC[C@H](C)[C@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058394	0	39	-1.0	-46.37	318.00	-0.73	-47.10
CC=CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058395	0	34	-1.0	-46.26	308.65	1.34	-44.92
CN1N=CN=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058396	0	32	-1.0	-46.44	289.52	0.21	-46.23
O=C(NC1CN(C(=O)[C@@H]2CC[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005058397	0	37	-1.0	-47.51	313.02	-2.22	-49.73
CS(=O)C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058398	0	32	-1.0	-55.15	305.70	-2.36	-57.51
O=C(NC1CN(C(=O)[C@@H]2CC=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058399	0	37	-1.0	-46.78	308.97	1.49	-45.29
COCC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058400	0	34	-1.0	-47.88	306.86	-1.06	-48.94
O=C(NC1CN(C(=O)C2CC3CC3C2)C1)C1=CC(=O)[N-]O1	REAL250005058401	0	37	-1.0	-46.52	311.54	1.78	-44.74
CC1CN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058402	0	38	-1.0	-48.27	323.73	-1.91	-50.18
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058402	1	39	0.0	-64.13	327.10	1.13	-63.00
CCC(C)(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058403	0	36	-1.0	-45.16	305.64	-2.61	-47.77
C#CCC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058404	0	34	-1.0	-45.72	306.75	1.07	-44.65
C=CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058405	0	31	-1.0	-46.41	283.46	-2.30	-48.71
[N-]=[N+]=NCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058406	0	34	-1.0	-48.12	311.82	-3.26	-51.38
CC1(C)COC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058407	0	37	-1.0	-49.24	311.67	0.01	-49.23
O=C(NC1CN(C(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005058408	0	34	-1.0	-47.54	297.05	1.13	-46.41
CCCC(C)=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058409	0	39	-1.0	-45.05	332.61	2.14	-42.91
C=C[C@H](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058410	0	36	-1.0	-46.20	311.27	1.14	-45.06
O=C(C=CC1CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058411	0	34	-1.0	-45.96	305.48	1.48	-44.48
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=NO1	REAL250005058412	0	32	-1.0	-47.76	287.68	-0.46	-48.22
CC(C)CC(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058413	0	37	-1.0	-44.53	319.28	0.54	-43.99
CC1CC1(C#N)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058414	0	34	-1.0	-46.02	303.69	0.72	-45.30
CCC(C#N)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058415	0	33	-1.0	-48.25	297.37	0.04	-48.21
O=C(NC1CN(C(=O)[C@@H]2CNC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL250005058416	0	32	-1.0	-57.37	291.99	-3.64	-61.01
O=C(NC1CN(C(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005058417	0	34	-1.0	-45.87	293.40	1.39	-44.48
C=C1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058418	0	34	-1.0	-47.01	299.23	0.96	-46.05
C[C@H]1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005058419	0	36	-1.0	-46.14	303.04	1.20	-44.94
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058420	0	38	0.0	-64.03	313.57	0.63	-63.40
CC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058420	1	38	0.0	-66.49	313.49	0.70	-65.79
CCN(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058420	1	37	-1.0	-46.17	311.65	-1.58	-47.75
O=C(NC1CN(C(=O)C2CC3(C2)N=N3)C1)C1=CC(=O)[N-]O1	REAL250005058421	0	33	-1.0	-47.18	299.85	-4.47	-51.65
CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058422	0	30	-1.0	-46.86	268.50	-2.96	-49.82
CC(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058423	0	28	-1.0	-45.19	259.73	-1.65	-46.84
NC1=NNC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058424	0	32	-1.0	-49.54	284.95	-3.29	-52.83
CC(NC(N)=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058425	0	35	-1.0	-49.38	308.72	-5.19	-54.57
CCOC(=O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058426	0	35	-1.0	-52.63	313.99	1.26	-51.37
O=C(NC1CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL250005058427	0	30	-2.0	-91.74	283.76	-3.94	-95.68
CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CN1	REAL250005058428	0	34	-1.0	-52.43	300.19	-0.36	-52.79
COCC(C)(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058429	0	37	-1.0	-45.40	320.00	-3.64	-49.04
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005058430	0	37	-1.0	-45.97	310.29	1.48	-44.49
N#CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058431	0	33	-1.0	-53.41	302.53	0.60	-52.81
N#CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058432	0	31	-1.0	-47.74	285.35	0.03	-47.71
C=C1CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058433	0	34	-1.0	-45.49	300.46	1.11	-44.38
O=C(NC1CN(C(=O)[C@]23C[C@H]2[C@H](O)C3)C1)C1=CC(=O)[N-]O1	REAL250005058434	0	35	-1.0	-49.99	310.56	-2.17	-52.16
O=C(CCCCCF)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058435	0	38	-1.0	-47.59	331.27	1.79	-45.80
O=C(NC1CN(C(=O)C23CC(C2)CO3)C1)C1=CC(=O)[N-]O1	REAL250005058436	0	35	-1.0	-46.33	300.76	-0.60	-46.93
CC(C)(F)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058437	0	38	-1.0	-46.33	325.69	1.41	-44.92
CCC=CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058438	0	37	-1.0	-46.10	329.75	2.10	-44.00
CN(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C(N)=O	REAL250005058439	0	35	-1.0	-53.89	310.24	-3.19	-57.08
O=C(NC1CN(C(=O)C2=NNC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL250005058440	0	29	-2.0	-95.75	278.51	-5.51	-101.26
O=C(NC1CN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058441	0	30	-1.0	-45.14	274.15	0.01	-45.13
CC(O)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058442	0	37	-1.0	-45.14	312.96	-1.96	-47.10
CC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL250005058443	0	32	-1.0	-46.98	294.49	-2.97	-49.95
COC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058444	0	36	-1.0	-45.36	303.57	-1.21	-46.57
CC(CC#N)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058445	0	33	-1.0	-47.47	300.32	0.26	-47.21
CCC1CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058446	0	36	-1.0	-45.83	313.48	1.52	-44.31
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)(C)O	REAL250005058447	0	39	-1.0	-48.57	323.46	-1.77	-50.34
O=C(NC1CN(C(=O)C2COC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL250005058448	0	31	-1.0	-57.48	288.05	-0.34	-57.82
O=C(NC1CN(C(=O)C23CC(C2)OC3)C1)C1=CC(=O)[N-]O1	REAL250005058449	0	35	-1.0	-46.47	299.89	-1.05	-47.52
CC(O)C1CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058450	0	37	-1.0	-46.39	321.08	-1.57	-47.96
C[C@@H]1C[C@@]2(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C3)C[C@@H]12	REAL250005058451	0	37	-1.0	-46.24	319.20	1.89	-44.35
O=C(CN1C=NC=N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058452	0	32	-1.0	-55.40	295.20	1.16	-54.24
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058453	0	41	0.0	-69.91	335.66	1.19	-68.72
C=CC(C)(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058454	0	34	-1.0	-45.47	299.20	-2.53	-48.00
CCC(C)(CO)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058455	0	39	-1.0	-45.68	316.69	-2.63	-48.31
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058456	0	39	0.0	-68.63	321.24	0.94	-67.69
CN(C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058456	1	38	-1.0	-45.43	319.35	-1.47	-46.90
CCCC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058457	0	36	-1.0	-45.88	316.10	1.44	-44.44
CC=C(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058458	0	30	-1.0	-44.80	276.37	-0.16	-44.96
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL250005058459	0	41	-1.0	-45.36	328.23	1.46	-43.90
C[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058460	0	38	0.0	-61.90	313.51	0.33	-61.57
C[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005058460	1	37	-1.0	-47.67	312.40	-1.90	-49.57
CC(C)C(CO)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058461	0	39	-1.0	-48.78	326.66	-2.21	-50.99
CCOC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058462	0	34	-1.0	-46.57	306.44	-0.49	-47.06
CCN1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058463	0	38	-1.0	-47.96	323.61	-2.04	-50.00
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058463	1	39	0.0	-64.95	315.91	0.66	-64.29
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058463	1	39	0.0	-66.26	327.53	0.98	-65.28
NC(=O)C(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058464	0	34	-1.0	-53.46	307.25	-5.22	-58.68
CCC(C)=C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058465	0	39	-1.0	-46.28	332.74	1.72	-44.56
COC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005058466	0	37	-1.0	-44.66	313.04	-0.24	-44.90
C=CCCC(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058467	0	35	-1.0	-44.59	315.35	0.51	-44.08
CC(O)CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058468	0	39	-1.0	-48.25	335.02	-1.65	-49.90
CC(=O)OCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058469	0	32	-1.0	-49.45	296.25	0.31	-49.14
CC(=O)NCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058470	0	36	-1.0	-54.79	320.99	-2.36	-57.15
O=C(NC1CN(C(=O)C2=CNC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058471	0	31	-1.0	-52.00	283.23	-3.73	-55.73
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058472	0	41	0.0	-66.18	317.08	1.05	-65.13
O=C(NC1CN(C(=O)C(F)(F)CO)C1)C1=CC(=O)[N-]O1	REAL250005058473	0	30	-1.0	-46.62	281.36	-3.90	-50.52
CC1(C#CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058474	0	35	-1.0	-47.35	320.17	2.00	-45.35
CC(=O)C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058475	0	32	-1.0	-47.79	296.91	-0.20	-47.99
O=C(COC1CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058476	0	34	-1.0	-49.52	305.13	0.47	-49.05
O=C(NC1CN(C(=O)C2=NC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005058477	0	30	-1.0	-48.64	276.45	-1.50	-50.14
O=C(C=CC1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058478	0	37	-1.0	-45.80	321.92	2.01	-43.79
CSC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058479	0	36	-1.0	-45.46	311.37	0.56	-44.90
O=C(NC1CN(C(=O)C2=NN=CS2)C1)C1=CC(=O)[N-]O1	REAL250005058480	0	28	-1.0	-49.60	276.78	-2.38	-51.98
O=C(NC1CN(C(=O)C2CC(=O)CO2)C1)C1=CC(=O)[N-]O1	REAL250005058481	0	33	-1.0	-52.22	298.68	-1.15	-53.37
CC(C)NC(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058482	0	36	-1.0	-46.11	317.37	-2.30	-48.41
C=C(Cl)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058483	0	33	-1.0	-45.56	311.51	1.18	-44.38
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL250005058484	0	35	-1.0	-45.95	298.64	-0.34	-46.29
CN1C=CN=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058485	0	33	-1.0	-50.04	294.87	0.14	-49.90
CC(CO)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058486	0	33	-1.0	-46.00	291.72	-3.43	-49.43
O=C(NC1CN(C(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005058487	0	29	-1.0	-49.81	269.07	-1.21	-51.02
O=C(CCCCO)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058488	0	36	-1.0	-47.30	314.60	-2.47	-49.77
O=C(NC1CN(C(=O)C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005058489	0	32	-1.0	-46.21	291.35	-0.05	-46.26
O=C(NC1CN(C(=O)[C@@H]2COC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058490	0	32	-1.0	-55.57	292.61	-4.12	-59.69
O=C(CC1(O)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058491	0	34	-1.0	-50.35	303.22	-2.16	-52.51
O=C(NC1CN(C(=O)C2CCC2F)C1)C1=CC(=O)[N-]O1	REAL250005058492	0	33	-1.0	-46.51	293.54	0.62	-45.89
O=C(NC1CN(C(=O)C(F)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058493	0	36	-1.0	-46.26	311.72	1.33	-44.93
CC1(C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL250005058494	0	37	-1.0	-49.89	318.84	0.26	-49.63
O=C(NC1CN(C(=O)[C@@H]2C[C@H]2CF)C1)C1=CC(=O)[N-]O1	REAL250005058495	0	33	-1.0	-49.21	298.74	0.81	-48.40
O=C(NC1CN(C(=O)C(F)=C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058496	0	34	-1.0	-46.55	302.76	1.18	-45.37
CCC(CO)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058497	0	36	-1.0	-45.98	310.88	-2.78	-48.76
O=C(CC(O)C1CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058498	0	37	-1.0	-48.58	323.14	-0.79	-49.37
CC(C)CC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058499	0	38	-1.0	-45.77	325.55	1.35	-44.42
CC(=CC1CC1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058500	0	37	-1.0	-46.29	314.33	1.67	-44.62
N#C[C@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058501	0	31	-1.0	-55.44	287.71	0.33	-55.11
O=C(CC1=CN=CO1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058502	0	32	-1.0	-51.66	295.62	-2.85	-54.51
O=C(NC1CN(C(=O)C2=COCC2)C1)C1=CC(=O)[N-]O1	REAL250005058503	0	32	-1.0	-46.59	281.74	-1.16	-47.75
CC(C)(O)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058504	0	39	-1.0	-46.18	330.06	-1.91	-48.09
CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL250005058505	0	34	-1.0	-47.45	300.28	-0.05	-47.50
O=C(NC1CN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058506	0	31	-1.0	-45.52	282.71	-3.40	-48.92
O=C(NC1CN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058507	0	31	-1.0	-47.01	278.53	0.52	-46.49
CC1CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL250005058508	0	34	-1.0	-46.15	303.18	-1.05	-47.20
CC(CF)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058509	0	32	-1.0	-44.88	286.66	0.00	-44.88
CC(Cl)=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058510	0	30	-1.0	-47.08	285.78	0.42	-46.66
CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058511	0	30	-1.0	-46.29	273.51	-0.10	-46.39
CCC(F)(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058512	0	32	-1.0	-44.05	290.56	0.07	-43.98
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005058513	0	33	-1.0	-45.64	297.41	0.60	-45.04
O=C(NC1CN(C(=O)[C@@H]2CCC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL250005058514	0	33	-1.0	-53.12	297.05	0.46	-52.66
O=C(C=CCF)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058515	0	30	-1.0	-47.85	279.69	0.02	-47.83
O=C(NC1CN(C(=O)C(F)CC2CC2)C1)C1=CC(=O)[N-]O1	REAL250005058516	0	36	-1.0	-48.55	318.91	1.62	-46.93
O=C(NC1CN(C(=O)[C@H]2COC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058517	0	32	-1.0	-54.46	292.56	-4.11	-58.57
N#CCCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058518	0	36	-1.0	-50.33	324.03	1.39	-48.94
O=C(NC1CN(C(=O)C2(CO)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058519	0	34	-1.0	-49.33	300.45	-2.91	-52.24
O=C(NC1CN(C(=O)C2=CC=NO2)C1)C1=CC(=O)[N-]O1	REAL250005058520	0	29	-1.0	-47.91	272.47	-1.13	-49.04
O=C(NC1CN(C(=O)C2CCC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058522	0	34	-1.0	-52.84	302.48	-2.81	-55.65
C[C@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058523	0	30	-1.0	-46.87	268.50	-2.96	-49.83
O=C(NC1CN(C(=O)C2=CC=C(F)O2)C1)C1=CC(=O)[N-]O1	REAL250005058524	0	30	-1.0	-46.34	284.14	-0.30	-46.64
CON=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058525	0	30	-1.0	-48.37	282.41	-2.14	-50.51
C#CCC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058526	0	37	-1.0	-45.53	314.88	1.16	-44.37
CC1(F)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058527	0	36	-1.0	-47.57	313.17	1.23	-46.34
CCC(C)(OC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058528	0	39	-1.0	-45.21	321.19	-0.47	-45.68
CC(C)[C@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058529	0	36	-1.0	-46.68	302.99	-1.53	-48.21
C#CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058530	0	32	-1.0	-46.95	294.20	0.83	-46.12
O=C(NC1CN(C(=O)[C@H]2CCC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL250005058531	0	33	-1.0	-55.44	296.31	0.60	-54.84
C=CC=CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058532	0	34	-1.0	-46.50	308.34	1.29	-45.21
C#CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005058533	0	35	-1.0	-46.88	308.82	1.28	-45.60
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058534	0	39	0.0	-61.04	320.58	0.92	-60.12
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058534	1	39	0.0	-66.42	314.96	0.46	-65.96
O=C(NC1CN(C(=O)C2CC=CCO2)C1)C1=CC(=O)[N-]O1	REAL250005058535	0	35	-1.0	-48.72	304.17	0.46	-48.26
CC1(C)C=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058536	0	37	-1.0	-46.21	319.40	1.58	-44.63
C#C[C@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058537	0	32	-1.0	-48.47	293.57	1.25	-47.22
[N-]=[N+]=NC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058538	0	32	-1.0	-44.08	292.30	-3.41	-47.49
CCC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)OC	REAL250005058539	0	39	-1.0	-46.59	328.69	0.66	-45.93
O=C(NC1CN(C(=O)C2=CSC=N2)C1)C1=CC(=O)[N-]O1	REAL250005058540	0	29	-1.0	-47.92	280.37	-1.22	-49.14
CC=C(CC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058541	0	36	-1.0	-46.12	314.13	1.12	-45.00
O=C(CC12CC(C1)C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058542	0	37	-1.0	-46.34	313.92	2.02	-44.32
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)O	REAL250005058543	0	39	-1.0	-48.25	325.49	-2.03	-50.28
COC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058544	0	30	-1.0	-48.82	278.04	-1.97	-50.79
N#CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005058545	0	34	-1.0	-47.42	302.70	0.47	-46.95
O=C(C=C1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058546	0	37	-1.0	-45.97	315.35	1.90	-44.07
CC(C)(C#N)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058547	0	36	-1.0	-45.81	312.66	0.80	-45.01
COCC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058548	0	34	-1.0	-47.34	301.95	-3.67	-51.01
O=C(NC1CN(C(=O)[C@@H]2CC2(F)F)C1)C1=CC(=O)[N-]O1	REAL250005058549	0	30	-1.0	-48.76	282.19	0.28	-48.48
N#C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058550	0	31	-1.0	-50.25	291.73	0.51	-49.74
C=C(C)CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058551	0	39	-1.0	-46.19	337.60	2.09	-44.10
O=C(NC1CN(C(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005058552	0	34	-1.0	-49.23	298.32	-2.82	-52.05
CC1(C)CC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058553	0	39	-1.0	-45.88	331.14	2.00	-43.88
O=C(NC1CN(C(=O)C2=C(Cl)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058554	0	31	-1.0	-48.30	295.58	1.02	-47.28
O=C(NC1CN(C(=O)[C@]23C[C@H]2[C@H](F)C3)C1)C1=CC(=O)[N-]O1	REAL250005058555	0	34	-1.0	-48.80	304.81	1.34	-47.46
O=C(NC1CN(C(=O)C2=CNC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL250005058556	0	30	-1.0	-51.93	282.53	-3.29	-55.22
CC(C)[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058557	0	39	-1.0	-46.91	332.58	2.08	-44.83
O=C(COCCO)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058558	0	34	-1.0	-52.08	306.13	-3.45	-55.53
CC(C)(CF)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058559	0	35	-1.0	-44.52	296.41	0.18	-44.34
CC(C)[C@@H](O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058560	0	39	-1.0	-48.51	329.03	-1.00	-49.51
CC(C)(CO)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058561	0	36	-1.0	-45.84	300.76	-3.12	-48.96
C=CCC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058562	0	36	-1.0	-45.48	313.77	1.12	-44.36
CC1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058563	0	39	-1.0	-45.64	322.57	1.74	-43.90
O=C(NC1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]32)C1)C1=CC(=O)[N-]O1	REAL250005058564	0	37	-1.0	-45.69	309.51	1.75	-43.94
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC(F)C1	REAL250005058565	0	36	-1.0	-45.89	305.52	0.78	-45.11
C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058566	0	33	-1.0	-45.97	292.13	0.70	-45.27
CC(C)(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058567	0	33	-1.0	-44.96	287.51	-3.16	-48.12
CSC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058568	0	34	-1.0	-45.09	316.08	1.11	-43.98
O=C(NC1CN(C(=O)C2=NOCC2)C1)C1=CC(=O)[N-]O1	REAL250005058569	0	31	-1.0	-46.42	282.11	-1.82	-48.24
CC(C#N)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058570	0	33	-1.0	-46.90	297.72	0.36	-46.54
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058571	0	39	0.0	-64.09	325.05	1.44	-62.65
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058571	1	39	0.0	-64.45	325.18	1.44	-63.01
CN(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058571	1	38	-1.0	-46.17	323.30	-0.79	-46.96
O=C(CCOC1CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058572	0	37	-1.0	-45.94	326.08	0.14	-45.80
O=C(CCCCCO)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058573	0	39	-1.0	-48.63	336.10	-1.68	-50.31
CC(CCO)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058574	0	36	-1.0	-48.75	310.79	-2.84	-51.59
O=C(NC1CN(C(=O)C(F)=CC2CC2)C1)C1=CC(=O)[N-]O1	REAL250005058575	0	34	-1.0	-46.14	308.06	1.33	-44.81
O=C(CC1CC(F)C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058576	0	36	-1.0	-48.00	314.69	1.39	-46.61
O=C(NC1CN(C(=O)[C@H](O)CF)C1)C1=CC(=O)[N-]O1	REAL250005058577	0	30	-1.0	-47.05	272.92	-2.83	-49.88
O=C(NC1CN(C(=O)C2(CCO)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058578	0	37	-1.0	-46.85	323.63	-2.14	-48.99
CC(C)C(C)(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058579	0	39	-1.0	-44.88	320.56	-1.86	-46.74
O=C(NC1CN(C(=O)C2(O)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058580	0	34	-1.0	-45.27	296.07	-2.72	-47.99
O=C(NC1CN(C(=O)C(O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005058581	0	34	-1.0	-45.71	297.64	-1.47	-47.18
O=C(CN1C=NN=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058582	0	32	-1.0	-56.39	295.72	2.02	-54.37
C=C(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058583	0	33	-1.0	-45.85	294.70	0.52	-45.33
CC(C)(C#N)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058584	0	33	-1.0	-48.12	293.99	-0.26	-48.38
CCSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058585	0	33	-1.0	-47.78	304.71	0.65	-47.13
CC(=O)OCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058586	0	35	-1.0	-50.95	317.21	0.29	-50.66
CC(C)=C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058587	0	36	-1.0	-46.30	311.02	1.06	-45.24
CC1(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)N=N1	REAL250005058588	0	35	-1.0	-45.26	313.87	-4.05	-49.31
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL250005058589	0	29	-2.0	-90.91	278.89	-3.68	-94.59
O=C(COC1COC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058590	0	35	-1.0	-49.95	312.56	-1.74	-51.69
C[C@@H]1C[C@]2(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C3)C[C@H]12	REAL250005058591	0	37	-1.0	-46.04	318.26	1.80	-44.24
CNC(=O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058592	0	33	-1.0	-56.50	296.27	-1.60	-58.10
CN1C=NN=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058593	0	32	-1.0	-50.89	289.93	0.74	-50.15
C[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058594	0	37	-1.0	-48.43	310.18	-0.72	-49.15
O=C(NC1CN(C(=O)C2CC(F)C2)C1)C1=CC(=O)[N-]O1	REAL250005058595	0	33	-1.0	-45.61	293.46	0.70	-44.91
CCC(O)C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058596	0	39	-1.0	-48.39	325.15	-1.00	-49.39
O=C(CC1CC(=O)N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058597	0	34	-1.0	-51.32	305.17	-3.74	-55.06
O=C(NC1CN(C(=O)C(O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058598	0	37	-1.0	-45.50	311.86	-1.04	-46.54
C[NH+]1CC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058599	0	39	0.0	-69.03	327.05	0.86	-68.17
CC1(O)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058600	0	37	-1.0	-46.63	318.94	-2.18	-48.81
C=CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058601	0	30	-1.0	-46.12	273.09	-0.14	-46.26
C[NH+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058602	0	35	0.0	-67.55	295.77	0.03	-67.52
CN(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058602	1	34	-1.0	-46.33	293.68	-2.37	-48.70
N#CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058603	0	27	-1.0	-53.52	259.64	-1.00	-54.52
O=C(NC1CN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005058604	0	30	-1.0	-45.02	277.54	0.12	-44.90
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058605	0	38	0.0	-64.98	314.12	0.37	-64.61
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005058605	1	37	-1.0	-46.27	303.52	-2.17	-48.44
O=C(CCF)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058606	0	29	-1.0	-45.33	266.82	-0.59	-45.92
O=C(NC1CN(C(=O)C2=CC(F)=NN2)C1)C1=CC(=O)[N-]O1	REAL250005058607	0	30	-1.0	-46.00	280.22	-2.17	-48.17
O=C(NC1CN(C(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058608	0	34	-1.0	-45.64	291.85	0.87	-44.77
CCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005058609	0	37	-1.0	-45.80	305.82	-0.90	-46.70
C#CC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058610	0	34	-1.0	-45.89	300.42	0.64	-45.25
COC(C)C(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058611	0	37	-1.0	-47.40	320.12	-2.78	-50.18
O=C(NC1CN(C(=O)[C@H]2CNC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058612	0	33	-1.0	-54.32	296.39	-5.27	-59.59
CCSC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058613	0	36	-1.0	-47.78	323.11	1.20	-46.58
CC1CCN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058614	0	38	-1.0	-47.88	316.41	-2.20	-50.08
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058614	1	39	0.0	-62.48	321.53	0.84	-61.64
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058614	1	39	0.0	-63.51	327.19	1.07	-62.44
C[NH+](C)CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058615	0	39	0.0	-72.99	332.91	1.19	-71.80
O=C(NC1CN(C(=O)C2=CCSC2)C1)C1=CC(=O)[N-]O1	REAL250005058616	0	32	-1.0	-46.57	290.61	0.54	-46.03
CO[C@H](C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058617	0	33	-1.0	-48.62	288.10	-0.77	-49.39
CC(=O)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058618	0	34	-1.0	-47.26	304.77	-0.01	-47.27
O=C(NC1CN(C(=O)C2CCCC2O)C1)C1=CC(=O)[N-]O1	REAL250005058619	0	37	-1.0	-48.53	312.49	-2.04	-50.57
C[C@@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058620	0	30	-1.0	-46.58	266.39	-2.98	-49.56
CC[NH+](CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058621	0	41	0.0	-65.41	327.40	1.05	-64.36
O=C(CN1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058622	0	35	-1.0	-47.28	301.57	-2.84	-50.12
O=C(C[NH+]1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058622	1	36	0.0	-67.40	306.09	0.44	-66.96
CC(C)C(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058623	0	39	-1.0	-48.27	326.41	-0.80	-49.07
O=C(NC1CN(C(=O)C2COC(=O)C2)C1)C1=CC(=O)[N-]O1	REAL250005058624	0	33	-1.0	-51.72	295.91	-0.34	-52.06
CC(O)C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058625	0	36	-1.0	-48.58	304.60	-1.81	-50.39
O=C(NC1CN(C(=O)C2(O)CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005058626	0	35	-1.0	-47.18	298.80	-4.42	-51.60
CCC(C)(C#N)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058627	0	36	-1.0	-47.90	309.76	0.20	-47.70
C=C1CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058628	0	31	-1.0	-46.12	284.27	0.66	-45.46
O=C(CC1CC=CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058629	0	37	-1.0	-46.06	315.96	1.84	-44.22
O=C(CC1OCCO1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058630	0	35	-1.0	-49.31	307.65	-1.45	-50.76
COC(OC)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058631	0	34	-1.0	-47.82	296.36	-1.70	-49.52
O=C(CCC[N+](=O)[O-])N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058632	0	34	-1.0	-51.77	310.78	0.49	-51.28
N#CC1(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058633	0	34	-1.0	-57.27	308.23	0.86	-56.41
COC(=O)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058634	0	35	-1.0	-47.18	315.69	0.04	-47.14
O=C(NC1CN(C(=O)C2=CCCOC2)C1)C1=CC(=O)[N-]O1	REAL250005058635	0	35	-1.0	-47.05	297.34	-1.06	-48.11
CC(C)(C)C(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058636	0	39	-1.0	-45.53	317.01	-0.72	-46.25
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005058637	0	34	-1.0	-48.53	294.95	-1.90	-50.43
O=C(NC1CN(C(=O)C2=CCCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058638	0	35	-1.0	-47.06	301.92	0.00	-47.06
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCO1	REAL250005058639	0	37	-1.0	-45.64	311.83	-0.35	-45.99
O=C(NC1CN(C(=O)C2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058640	0	31	-1.0	-52.93	284.64	-4.35	-57.28
O=C(NC1CN(C(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058641	0	31	-1.0	-53.01	284.66	-4.41	-57.42
O=C(NC1CN(C(=O)C2=CCCCC2)C1)C1=CC(=O)[N-]O1	REAL250005058642	0	37	-1.0	-47.62	306.06	1.27	-46.35
CCC[C@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058643	0	36	-1.0	-46.99	308.93	-1.44	-48.43
CC1CC(C)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058644	0	39	-1.0	-45.87	317.88	1.19	-44.68
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL250005058645	0	38	-1.0	-46.94	317.20	-2.28	-49.22
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL250005058645	1	39	0.0	-65.51	317.79	0.66	-64.85
O=C(NC1CN(C(=O)[C@H]2CC2(F)F)C1)C1=CC(=O)[N-]O1	REAL250005058646	0	30	-1.0	-47.67	283.74	0.18	-47.49
O=C(CC1=CNN=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058647	0	33	-1.0	-50.28	300.04	-1.22	-51.50
CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC(=O)C1	REAL250005058648	0	35	-1.0	-49.27	306.78	-0.02	-49.29
O=C(CC1=CNC=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058649	0	34	-1.0	-49.10	304.91	0.20	-48.90
CCCC(C)(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058650	0	39	-1.0	-44.74	325.83	-1.71	-46.45
CCOC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058651	0	39	-1.0	-45.14	325.42	-0.26	-45.40
O=C(CC1CC(=O)C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058652	0	35	-1.0	-50.34	310.70	0.47	-49.87
O=C(CC1CSC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058653	0	34	-1.0	-48.30	307.88	1.01	-47.29
O=C(NC1CN(C(=O)C2(F)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058654	0	33	-1.0	-45.04	291.10	0.54	-44.50
O=C(NC1CN(C(=O)C2=CNC=N2)C1)C1=CC(=O)[N-]O1	REAL250005058655	0	30	-1.0	-51.55	276.40	-0.78	-52.33
O=C(NC1CN(C(=O)C2=CN=CN2)C1)C1=CC(=O)[N-]O1	REAL250005058655	1	30	-1.0	-50.86	273.24	-0.86	-51.72
CC1=NOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL250005058656	0	31	-1.0	-47.52	289.12	-3.03	-50.55
CCOC(=O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058657	0	35	-1.0	-52.63	313.99	1.26	-51.37
O=C(NC1CN(C(=O)C2CC(=O)C2)C1)C1=CC(=O)[N-]O1	REAL250005058658	0	32	-1.0	-47.80	289.64	-0.32	-48.12
O=C(CN1C=CN=N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058659	0	32	-1.0	-57.71	294.26	-1.56	-59.27
C=CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005058660	0	37	-1.0	-45.38	308.40	1.84	-43.54
O=C(NC1CN(C(=O)C2(O)COC2)C1)C1=CC(=O)[N-]O1	REAL250005058661	0	32	-1.0	-45.89	284.21	-4.83	-50.72
CCC(C)C(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058662	0	39	-1.0	-45.68	320.78	-0.66	-46.34
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005058663	0	34	-1.0	-47.00	297.88	1.09	-45.91
CC1=CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058664	0	31	-1.0	-47.95	285.75	0.72	-47.23
CN(C)C(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058665	0	33	-1.0	-46.50	290.96	-1.96	-48.46
CC(=O)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058666	0	35	-1.0	-45.99	316.03	0.45	-45.54
CCCC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058667	0	36	-1.0	-46.20	310.59	-1.38	-47.58
CCCCC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058668	0	39	-1.0	-46.18	332.09	-0.60	-46.78
COC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)O	REAL250005058669	0	37	-1.0	-47.79	314.90	-2.92	-50.71
O=C(CSC1CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058670	0	34	-1.0	-47.51	315.30	1.48	-46.03
CCC(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058671	0	36	-1.0	-48.78	312.35	-1.52	-50.30
CNC(=O)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058672	0	36	-1.0	-49.17	319.84	-2.44	-51.61
O=C(CCCCF)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058673	0	35	-1.0	-46.49	309.82	0.94	-45.55
O=C(NC1CN(C(=O)C2=CSN=C2)C1)C1=CC(=O)[N-]O1	REAL250005058674	0	29	-1.0	-49.55	276.55	-1.15	-50.70
O=C(NC1CN(C(=O)C2CCC(=O)C2)C1)C1=CC(=O)[N-]O1	REAL250005058675	0	35	-1.0	-48.06	303.43	0.15	-47.91
O=C(NC1CN(C(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005058676	0	31	-1.0	-52.87	284.65	-4.36	-57.23
O=C(CN1C=NC=N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058677	0	32	-1.0	-55.40	295.20	1.16	-54.24
COC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058678	0	34	-1.0	-45.18	303.49	-1.14	-46.32
O=C(NC1CN(C(=O)C2CSC2)C1)C1=CC(=O)[N-]O1	REAL250005058679	0	31	-1.0	-45.74	286.84	0.18	-45.56
NC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL250005058680	0	31	-1.0	-47.60	287.81	-5.69	-53.29
O=C(CC1(CO)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058681	0	37	-1.0	-47.24	320.86	-1.96	-49.20
O=C(NC1CN(C(=O)C2CCC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005058682	0	35	-1.0	-48.18	301.06	0.82	-47.36
O=C(NC1CN(C(=O)C2(O)CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005058683	0	37	-1.0	-46.05	307.78	-1.90	-47.95
CCC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005058684	0	37	-1.0	-49.04	311.22	-0.87	-49.91
CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCO1	REAL250005058685	0	37	-1.0	-48.60	312.40	-0.68	-49.28
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005058686	0	31	-1.0	-58.37	283.05	-4.35	-62.72
C[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058687	0	37	-1.0	-54.27	310.48	-0.86	-55.13
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005058688	0	33	-1.0	-53.08	291.54	0.58	-52.50
CCC(O)C(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058689	0	39	-1.0	-53.54	323.27	-0.78	-54.32
O=C(CC1CC(=O)N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058690	0	34	-1.0	-57.82	303.65	-3.55	-61.37
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CCC1	REAL250005058691	0	37	-1.0	-50.47	312.53	-0.55	-51.02
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005058692	0	29	-1.0	-48.88	272.40	-1.13	-50.01
CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058693	0	32	-1.0	-49.32	279.60	-0.25	-49.57
COCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058694	0	36	-1.0	-49.39	313.27	-1.18	-50.57
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058695	0	33	-1.0	-49.07	290.10	0.52	-48.55
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005058696	0	36	-1.0	-48.96	306.26	1.11	-47.85
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC1	REAL250005058697	0	39	-1.0	-48.66	322.61	1.63	-47.03
O=C(CC1CC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058698	0	36	-1.0	-49.33	310.51	1.29	-48.04
CC(C)(F)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058699	0	35	-1.0	-48.62	306.05	0.42	-48.20
CC(F)(F)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058700	0	32	-1.0	-47.42	291.45	-0.06	-47.48
COCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058701	0	33	-1.0	-52.24	292.32	-0.89	-53.13
CCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058702	0	35	-1.0	-49.03	301.09	0.52	-48.51
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CO1	REAL250005058703	0	33	-1.0	-50.30	299.07	0.15	-50.15
CC(=O)NCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058704	0	36	-1.0	-52.30	318.28	-2.58	-54.88
CC(C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058705	0	38	-1.0	-48.62	317.82	1.10	-47.52
CC1CC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058706	0	36	-1.0	-48.89	311.49	1.19	-47.70
CCOCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058707	0	36	-1.0	-52.19	314.17	0.07	-52.12
CC(C)=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058708	0	36	-1.0	-48.47	309.08	1.06	-47.41
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCO1	REAL250005058709	0	37	-1.0	-52.51	315.58	0.32	-52.19
CSCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058710	0	33	-1.0	-51.43	302.66	0.18	-51.25
CSCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058711	0	36	-1.0	-49.01	324.33	0.99	-48.02
CC(C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058712	0	41	-1.0	-48.95	340.16	1.80	-47.15
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005058713	0	34	-1.0	-51.66	302.03	-0.07	-51.73
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=C1	REAL250005058714	0	33	-1.0	-52.45	298.41	0.03	-52.42
CCCCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058715	0	41	-1.0	-49.08	344.09	2.08	-47.00
CC(C)(C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058716	0	41	-1.0	-47.93	332.79	1.63	-46.30
CCCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058717	0	38	-1.0	-49.10	322.59	1.30	-47.80
CC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058718	0	35	-1.0	-48.82	299.14	0.42	-48.40
CCC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058719	0	38	-1.0	-48.79	317.26	1.07	-47.72
CCC(CC)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058720	0	41	-1.0	-48.65	338.27	1.60	-47.05
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005058721	0	33	-1.0	-50.68	296.83	-1.47	-52.15
CSC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058722	0	36	-1.0	-50.89	321.21	0.74	-50.15
CCOC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058723	0	39	-1.0	-51.85	333.96	0.77	-51.08
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNN=C1	REAL250005058724	0	33	-1.0	-51.78	297.12	-1.51	-53.29
COCCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058725	0	39	-1.0	-51.54	334.77	-0.41	-51.95
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOC=C1	REAL250005058726	0	32	-1.0	-51.36	293.67	-0.69	-52.05
CCC=C(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058727	0	39	-1.0	-49.01	328.23	1.77	-47.24
COC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058728	0	36	-1.0	-51.88	312.11	-0.18	-52.06
CC(C)OCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058729	0	39	-1.0	-52.04	334.44	0.80	-51.24
CCCOCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058730	0	39	-1.0	-51.99	335.67	0.87	-51.12
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCOC1	REAL250005058731	0	37	-1.0	-50.51	313.52	-0.84	-51.35
CCC(OC)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058732	0	39	-1.0	-50.58	333.12	0.69	-49.89
COC(C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058733	0	39	-1.0	-50.60	332.41	0.35	-50.25
C=CCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058734	0	36	-1.0	-49.06	313.90	1.08	-47.98
CCOCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058735	0	39	-1.0	-49.29	335.12	-0.21	-49.50
COCC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058736	0	39	-1.0	-48.94	331.97	-0.46	-49.40
C=CCOCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058737	0	37	-1.0	-52.52	327.08	0.65	-51.87
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=N1	REAL250005058738	0	32	-1.0	-51.08	293.98	-3.35	-54.43
CCCC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058739	0	41	-1.0	-48.71	338.76	1.82	-46.89
O=C(CCC1CC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058740	0	39	-1.0	-49.26	332.56	2.16	-47.10
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC=CC1	REAL250005058741	0	37	-1.0	-49.03	314.97	1.59	-47.44
O=C(CC1CCC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058742	0	39	-1.0	-49.32	327.36	1.89	-47.43
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058743	0	39	-1.0	-48.95	328.48	1.87	-47.08
CC=C(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058744	0	36	-1.0	-49.14	307.91	1.03	-48.11
CC1CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058745	0	39	-1.0	-48.61	326.05	1.62	-46.99
O=C(C=C1CCC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058746	0	37	-1.0	-49.51	318.60	1.83	-47.68
CC(C)=C(F)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058747	0	36	-1.0	-47.40	313.43	1.12	-46.28
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005058748	0	37	-1.0	-49.03	316.16	1.62	-47.41
CC1(C)CC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058749	0	39	-1.0	-48.29	326.71	1.74	-46.55
CC1(C)C[C@@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058750	0	39	-1.0	-48.45	326.65	1.82	-46.63
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCCO1	REAL250005058751	0	37	-1.0	-52.54	315.83	0.27	-52.27
CCC(C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058752	0	41	-1.0	-48.63	336.05	1.77	-46.86
C#CCCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058753	0	37	-1.0	-51.68	328.38	1.82	-49.86
CC(C)(O)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058754	0	39	-1.0	-49.10	324.06	-0.82	-49.92
CC(C)[C@@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058755	0	39	-1.0	-49.47	326.75	-0.83	-50.30
CCC(C)=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058756	0	39	-1.0	-48.21	330.60	1.83	-46.38
CC(C)C#CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058757	0	37	-1.0	-49.93	328.99	1.78	-48.15
O=C(C#CC1CC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058758	0	35	-1.0	-50.21	318.66	1.95	-48.26
C=C(C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058759	0	39	-1.0	-48.84	335.55	1.75	-47.09
CC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058760	0	36	-1.0	-48.78	307.85	1.12	-47.66
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CCCO1	REAL250005058761	0	37	-1.0	-52.31	315.45	0.39	-51.92
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNN=C1	REAL250005058762	0	32	-1.0	-49.65	292.35	-2.84	-52.49
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005058762	1	32	-1.0	-51.66	291.64	-2.85	-54.51
CC1(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058763	0	39	-1.0	-48.80	330.51	1.76	-47.04
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005058764	0	32	-1.0	-50.97	293.98	-3.25	-54.22
C=CC(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058765	0	39	-1.0	-48.98	326.79	1.38	-47.60
C[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058766	0	36	-1.0	-48.91	311.51	1.19	-47.72
CC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005058767	0	39	-1.0	-48.69	323.50	1.55	-47.14
CCC(F)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058768	0	35	-1.0	-49.55	307.37	0.55	-49.00
O=C(CCCF)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058769	0	35	-1.0	-51.53	307.68	0.65	-50.88
C[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058770	0	36	-1.0	-49.15	311.33	1.27	-47.88
CC(C)C(F)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058771	0	38	-1.0	-48.90	321.88	1.14	-47.76
C=CCCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058772	0	39	-1.0	-49.45	335.40	1.86	-47.59
CCC(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058773	0	41	-1.0	-48.65	332.25	1.48	-47.17
NC(=O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058774	0	30	-1.0	-49.85	274.94	-4.92	-54.77
CC1CC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058775	0	39	-1.0	-49.32	331.91	1.96	-47.36
CCC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058776	0	39	-1.0	-48.89	332.59	1.70	-47.19
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005058777	0	36	-1.0	-48.57	312.63	1.21	-47.36
CC(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058778	0	38	-1.0	-48.58	318.03	0.98	-47.60
CC(C)C(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058779	0	41	-1.0	-48.18	333.16	1.63	-46.55
CC[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058780	0	39	-1.0	-49.16	332.75	2.05	-47.11
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC12CC2	REAL250005058781	0	37	-1.0	-49.22	322.59	1.99	-47.23
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC(=O)N1	REAL250005058782	0	34	-1.0	-57.05	303.98	-3.82	-60.87
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CC(=O)N1	REAL250005058783	0	34	-1.0	-56.41	304.54	-3.57	-59.98
COC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058784	0	37	-1.0	-51.14	318.14	0.29	-50.85
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005058785	0	34	-1.0	-49.72	306.19	0.67	-49.05
C=CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058786	0	33	-1.0	-49.47	292.51	0.29	-49.18
C[NH+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058787	0	38	0.0	-72.28	315.18	0.46	-71.82
CN(C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058787	1	37	-1.0	-49.59	313.10	-1.92	-51.51
C=CC(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058788	0	34	-1.0	-49.74	303.60	-1.84	-51.58
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005058789	0	34	-1.0	-49.99	296.93	-1.75	-51.74
CO[C@H](C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058790	0	36	-1.0	-51.83	312.08	-0.19	-52.02
CC=CC(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058791	0	37	-1.0	-49.32	322.66	-0.80	-50.12
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058792	0	41	0.0	-69.85	332.93	0.96	-68.89
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005058792	1	40	-1.0	-49.67	327.11	-1.45	-51.12
CCC=C(F)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058793	0	36	-1.0	-47.64	318.44	1.16	-46.48
CCC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058794	0	36	-1.0	-49.12	314.26	1.12	-48.00
CC(C)(CO)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058796	0	39	-1.0	-49.15	327.38	-2.22	-51.37
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005058797	0	36	-1.0	-48.23	312.73	1.06	-47.17
O=C(CO)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058798	0	30	-1.0	-53.76	270.07	-3.17	-56.93
NC(=O)C=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058799	0	34	-1.0	-52.87	309.56	-3.60	-56.47
CC(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058800	0	33	-1.0	-50.34	290.39	-2.38	-52.72
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005058801	0	37	-1.0	-49.61	314.46	-2.02	-51.63
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005058802	0	37	-1.0	-49.49	318.71	-0.58	-50.07
C=CCC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058803	0	39	-1.0	-48.75	330.54	1.62	-47.13
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005058804	0	33	-1.0	-52.02	296.32	0.59	-51.43
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058805	0	41	0.0	-69.85	332.93	0.96	-68.89
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005058805	1	40	-1.0	-49.67	327.11	-1.45	-51.12
O=C(CCF)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058806	0	32	-1.0	-48.96	286.19	-0.11	-49.07
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005058807	0	35	-1.0	-50.47	305.17	-4.27	-54.74
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005058808	0	37	-1.0	-49.77	322.36	1.98	-47.79
CCC1CC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058809	0	39	-1.0	-49.07	332.82	2.04	-47.03
O=C(CC1(O)CC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058810	0	37	-1.0	-52.81	321.20	-2.13	-54.94
O=C(C=CCF)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058811	0	33	-1.0	-51.25	299.35	0.48	-50.77
C#CCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058812	0	34	-1.0	-49.55	306.88	1.03	-48.52
O=C(CN1CCC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058813	0	38	-1.0	-50.63	320.99	-2.33	-52.96
O=C(C[NH+]1CCC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058813	1	39	0.0	-72.03	325.31	0.89	-71.14
C#C[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058814	0	35	-1.0	-51.78	312.82	1.76	-50.02
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C2CCC21	REAL250005058815	0	37	-1.0	-49.06	312.73	1.93	-47.13
C=C1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058816	0	37	-1.0	-48.70	319.92	1.52	-47.18
C[C@H]1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005058817	0	39	-1.0	-47.91	320.26	1.69	-46.22
C[C@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058818	0	41	0.0	-70.60	333.35	0.86	-69.74
C[C@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005058818	1	40	-1.0	-49.09	324.82	-1.57	-50.66
CC=CC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058819	0	37	-1.0	-49.27	328.34	1.79	-47.48
COCC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058820	0	37	-1.0	-51.18	326.53	-0.60	-51.78
CC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005058821	0	37	-1.0	-49.25	315.32	-1.15	-50.40
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005058822	0	34	-1.0	-53.12	298.05	-0.63	-53.75
[N-]=[N+]=NCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058823	0	34	-1.0	-49.13	309.73	-3.64	-52.77
C#CCOCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058824	0	35	-1.0	-54.91	319.96	0.61	-54.30
CC(C)(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058825	0	36	-1.0	-48.12	310.08	-2.82	-50.94
CC1=CC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058826	0	34	-1.0	-49.75	305.19	1.22	-48.53
CN(C)C(=O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058827	0	36	-1.0	-49.79	312.44	-1.43	-51.22
CSC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058828	0	34	-1.0	-49.13	315.22	0.66	-48.47
CCC(C)(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058829	0	39	-1.0	-48.01	326.90	-2.12	-50.13
CC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058830	0	41	0.0	-71.64	332.76	1.21	-70.43
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058830	1	41	0.0	-71.52	332.91	1.14	-70.38
CCN(C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058830	1	40	-1.0	-49.49	331.07	-1.13	-50.62
C=C1CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058831	0	37	-1.0	-48.71	319.84	1.53	-47.18
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005058832	0	36	-1.0	-49.61	312.95	1.12	-48.49
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005058833	0	33	-1.0	-52.95	296.95	-0.41	-53.36
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005058834	0	33	-1.0	-47.86	305.62	1.06	-46.80
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005058835	0	35	-1.0	-49.14	307.55	-0.28	-49.42
CCC[C@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058836	0	39	-1.0	-49.49	332.22	-0.70	-50.19
CC(C)[C@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058837	0	39	-1.0	-49.73	327.37	-0.74	-50.47
CCOC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058838	0	37	-1.0	-49.39	326.24	-0.02	-49.41
C[C@@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058839	0	33	-1.0	-50.06	290.33	-2.30	-52.36
O=C(CCCCF)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058840	0	38	-1.0	-49.88	329.18	1.44	-48.44
O=C(C=CCO)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058841	0	34	-1.0	-52.42	304.27	-3.00	-55.42
COC(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058842	0	39	-1.0	-51.97	324.05	0.30	-51.67
O=C(CCCCO)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058843	0	39	-1.0	-50.73	334.01	-2.05	-52.78
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005058844	0	37	-1.0	-52.01	322.57	-2.33	-54.34
COC(F)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058845	0	33	-1.0	-52.28	298.22	-1.41	-53.69
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC1CC2	REAL250005058846	0	37	-1.0	-48.80	318.56	1.72	-47.08
C=C[C@H](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058847	0	39	-1.0	-48.44	330.59	1.63	-46.81
O=C(C=CC1CC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058848	0	37	-1.0	-49.11	325.15	1.94	-47.17
CC=C(CC)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058849	0	39	-1.0	-48.76	328.95	1.74	-47.02
C=CC(C)(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058850	0	37	-1.0	-48.63	320.26	-2.08	-50.71
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005058851	0	34	-1.0	-49.72	300.58	1.09	-48.63
CON=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058852	0	33	-1.0	-52.40	302.06	-1.68	-54.08
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005058853	0	33	-1.0	-48.24	296.34	0.57	-47.67
O=C(COCCO)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058854	0	37	-1.0	-55.24	325.55	-3.06	-58.30
CC(C)(CF)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058855	0	38	-1.0	-48.05	323.03	1.07	-46.98
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005058856	0	34	-1.0	-49.78	303.62	-1.41	-51.19
COCC(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058857	0	37	-1.0	-50.40	323.74	-3.07	-53.47
C#CC(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058858	0	37	-1.0	-51.22	323.85	1.43	-49.79
O=C(COC1CC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058859	0	37	-1.0	-53.11	324.39	0.94	-52.17
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005058860	0	33	-1.0	-51.53	297.90	-1.12	-52.65
CCCC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058861	0	39	-1.0	-49.00	335.76	1.90	-47.10
CC=C(F)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058862	0	33	-1.0	-47.80	298.14	0.42	-47.38
CCC(CO)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058863	0	39	-1.0	-49.14	325.63	-1.83	-50.97
CC(CO)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058864	0	36	-1.0	-49.46	309.73	-2.86	-52.32
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CON=C1	REAL250005058865	0	32	-1.0	-50.72	293.35	-0.52	-51.24
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005058866	0	36	-1.0	-50.65	318.12	1.32	-49.33
C#CC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058867	0	35	-1.0	-48.43	315.83	1.59	-46.84
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005058868	0	35	-1.0	-49.69	306.22	-0.33	-50.02
C[C@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058869	0	33	-1.0	-53.09	289.92	-2.36	-55.45
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C=CCC1	REAL250005058870	0	37	-1.0	-48.89	315.01	1.63	-47.26
CC(O)C(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058871	0	39	-1.0	-51.57	326.63	-1.16	-52.73
C=C1CC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058872	0	34	-1.0	-49.19	303.68	1.09	-48.10
CC(CF)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058873	0	35	-1.0	-48.42	305.12	0.56	-47.86
C=C(C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058874	0	36	-1.0	-49.22	314.12	0.95	-48.27
CCSCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058875	0	36	-1.0	-51.28	324.12	1.07	-50.21
CC(C)=C(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058876	0	39	-1.0	-48.41	323.44	1.73	-46.68
CCCC(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058877	0	39	-1.0	-49.33	332.38	-0.78	-50.11
CCC(O)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058878	0	39	-1.0	-52.00	331.77	-1.10	-53.10
CC(Cl)=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058879	0	33	-1.0	-50.28	305.15	0.87	-49.41
CC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058880	0	33	-1.0	-49.26	293.17	0.36	-48.90
CC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005058881	0	36	-1.0	-48.77	314.07	1.20	-47.57
O=C(C1=CC(=O)[N-]O1)N1CC(CNC(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005058882	0	37	-1.0	-52.36	317.69	-2.31	-54.67
C[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058883	0	36	-1.0	-48.91	311.51	1.19	-47.72
CNC(=O)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058884	0	36	-1.0	-59.76	315.68	-1.20	-60.96
C=CC=CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058885	0	37	-1.0	-49.96	327.76	1.72	-48.24
NC(=O)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058886	0	36	-1.0	-52.38	317.28	-3.42	-55.80
CC(O)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058887	0	39	-1.0	-49.50	332.90	-1.99	-51.49
C#CCC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058888	0	37	-1.0	-49.08	324.74	1.60	-47.48
CC(CCO)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058889	0	39	-1.0	-52.15	328.69	-2.28	-54.43
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005058890	0	33	-1.0	-51.95	296.53	-2.14	-54.09
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005058891	0	34	-1.0	-49.41	298.46	-2.55	-51.96
O=C(CC1CC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058892	0	36	-1.0	-47.88	312.41	1.49	-46.39
CC(C)(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058893	0	35	-1.0	-46.86	303.57	0.40	-46.46
CC(F)(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058894	0	32	-1.0	-46.00	290.53	-0.05	-46.05
COCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058895	0	33	-1.0	-50.94	294.26	-0.65	-51.59
CCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058896	0	35	-1.0	-47.68	303.04	0.71	-46.97
O=C(NCC1CN(C(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005058897	0	33	-1.0	-49.01	299.11	0.11	-48.90
CC(=O)NCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058898	0	36	-1.0	-50.42	319.91	-2.38	-52.80
CC(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058899	0	38	-1.0	-47.12	319.76	1.30	-45.82
CC1CC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058900	0	36	-1.0	-47.79	313.44	1.38	-46.41
CCOCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058901	0	36	-1.0	-50.85	316.11	0.30	-50.55
CC(C)=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058902	0	36	-1.0	-47.28	310.69	1.22	-46.06
O=C(NCC1CN(C(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058903	0	37	-1.0	-51.33	315.93	0.35	-50.98
CSCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058904	0	33	-1.0	-49.93	304.60	0.37	-49.56
CSCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058905	0	36	-1.0	-47.39	326.27	1.18	-46.21
CC(C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058906	0	41	-1.0	-47.49	342.10	2.00	-45.49
O=C(NCC1CN(C(=O)C2=CC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005058907	0	34	-1.0	-50.28	299.74	0.01	-50.27
O=C(NCC1CN(C(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058908	0	33	-1.0	-51.29	295.69	-0.18	-51.47
CCCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058909	0	41	-1.0	-47.53	346.02	2.19	-45.34
CC(C)(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058910	0	41	-1.0	-46.16	334.73	1.81	-44.35
CCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058911	0	38	-1.0	-47.58	324.53	1.49	-46.09
CC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058912	0	35	-1.0	-47.61	298.79	0.30	-47.31
CCC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058913	0	38	-1.0	-49.53	320.28	1.04	-48.49
CCC(CC)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058914	0	41	-1.0	-47.18	335.10	1.67	-45.51
O=C(NCC1CN(C(=O)C2=NNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058915	0	33	-1.0	-51.23	297.69	-1.38	-52.61
O=C(NCC1CN(C(=O)C2=CC=NN2)C1)C1=CC(=O)[N-]O1	REAL250005058915	1	33	-1.0	-49.18	294.53	-1.44	-50.62
CSC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058916	0	36	-1.0	-49.88	323.00	0.94	-48.94
CCOC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058917	0	39	-1.0	-50.69	332.80	0.74	-49.95
O=C(NCC1CN(C(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005058918	0	33	-1.0	-50.51	294.26	-1.76	-52.27
COCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058919	0	39	-1.0	-49.96	336.71	-0.22	-50.18
O=C(NCC1CN(C(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058920	0	32	-1.0	-50.22	293.63	-0.56	-50.78
CCC=C(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058921	0	39	-1.0	-48.20	324.94	1.50	-46.70
COC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058922	0	36	-1.0	-50.76	310.63	-0.12	-50.88
CC(C)OCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058923	0	39	-1.0	-50.76	336.38	1.04	-49.72
CCCOCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058924	0	39	-1.0	-50.69	337.61	1.11	-49.58
O=C(NCC1CN(C(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005058925	0	37	-1.0	-49.78	310.97	-0.93	-50.71
CCC(OC)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058926	0	39	-1.0	-49.58	330.99	0.64	-48.94
COC(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058927	0	39	-1.0	-48.94	334.35	0.55	-48.39
C=CCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058928	0	36	-1.0	-47.51	315.85	1.27	-46.24
CCOCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058929	0	39	-1.0	-47.68	337.06	-0.02	-47.70
COCC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058930	0	39	-1.0	-48.97	334.81	-0.42	-49.39
C=CCOCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058931	0	37	-1.0	-51.21	329.02	0.88	-50.33
O=C(NCC1CN(C(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005058932	0	32	-1.0	-49.69	293.79	-2.97	-52.66
CC(C#N)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058933	0	33	-1.0	-53.97	297.89	0.00	-53.97
CCCC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058934	0	41	-1.0	-49.72	341.66	1.89	-47.83
O=C(CCC1CC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058935	0	39	-1.0	-47.61	334.65	2.28	-45.33
O=C(NCC1CN(C(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005058936	0	37	-1.0	-47.49	315.66	1.57	-45.92
O=C(CC1CCC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058937	0	39	-1.0	-47.62	329.33	2.02	-45.60
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058938	0	39	-1.0	-47.22	328.74	1.76	-45.46
CC=C(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058939	0	36	-1.0	-48.40	304.77	0.77	-47.63
CC1CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058940	0	39	-1.0	-47.39	327.94	1.80	-45.59
O=C(C=C1CCC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058941	0	37	-1.0	-48.33	320.39	1.92	-46.41
CC(C)=C(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058942	0	36	-1.0	-46.09	313.78	1.18	-44.91
O=C(NCC1CN(C(=O)C2=CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005058943	0	37	-1.0	-48.14	313.11	1.51	-46.63
CC1(C)CC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058944	0	39	-1.0	-46.95	328.66	1.94	-45.01
CC1(C)C[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058945	0	39	-1.0	-47.01	328.63	1.84	-45.17
O=C(NCC1CN(C(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058946	0	37	-1.0	-51.15	315.03	0.45	-50.70
CCC(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058947	0	41	-1.0	-47.04	337.99	1.97	-45.07
C#CCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058948	0	37	-1.0	-50.14	330.30	1.93	-48.21
CC(C)(O)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058949	0	39	-1.0	-49.99	328.52	-0.94	-50.93
CC(C)[C@@H](O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058950	0	39	-1.0	-48.00	326.61	-0.86	-48.86
CCC(C)=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058951	0	39	-1.0	-46.92	332.47	1.99	-44.93
CC(C)C#CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058952	0	37	-1.0	-49.18	330.91	1.95	-47.23
O=C(C#CC1CC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058953	0	35	-1.0	-49.34	320.58	2.14	-47.20
CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058954	0	32	-1.0	-47.84	281.54	-0.06	-47.90
COCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058955	0	36	-1.0	-47.73	315.21	-0.99	-48.72
O=C(NCC1CN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005058956	0	33	-1.0	-47.94	291.99	0.72	-47.22
O=C(NCC1CN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005058957	0	36	-1.0	-47.63	308.21	1.23	-46.40
O=C(NCC1CN(C(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005058958	0	39	-1.0	-47.49	323.87	1.69	-45.80
C=CCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058959	0	39	-1.0	-47.96	337.33	1.97	-45.99
CCC(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058960	0	41	-1.0	-47.61	327.07	1.20	-46.41
NC(=O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058961	0	30	-1.0	-47.99	274.68	-4.81	-52.80
CC1CC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058962	0	39	-1.0	-47.86	333.86	2.16	-45.70
CCC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058963	0	39	-1.0	-47.85	333.56	1.85	-46.00
CC(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058964	0	38	-1.0	-47.54	312.60	0.71	-46.83
C=C(C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058965	0	39	-1.0	-47.36	337.46	1.93	-45.43
O=C(NCC1CN(C(=O)C2(CF)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058966	0	36	-1.0	-50.59	317.08	1.17	-49.42
CC(C)C(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058967	0	41	-1.0	-49.71	337.92	1.60	-48.11
CC[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058968	0	39	-1.0	-47.72	334.79	2.05	-45.67
O=C(NCC1CN(C(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005058969	0	37	-1.0	-48.12	324.46	2.10	-46.02
O=C(NCC1CN(C(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058970	0	37	-1.0	-51.42	314.62	0.41	-51.01
CC1(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058971	0	39	-1.0	-47.18	331.72	1.88	-45.30
CC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058972	0	36	-1.0	-47.90	313.14	1.14	-46.76
O=C(NCC1CN(C(=O)C2=CNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005058973	0	34	-1.0	-50.61	299.49	-0.19	-50.80
O=C(NCC1CN(C(=O)C2=CN=CO2)C1)C1=CC(=O)[N-]O1	REAL250005058974	0	32	-1.0	-49.55	293.95	-3.18	-52.73
C=CC(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058975	0	39	-1.0	-47.88	321.89	1.04	-46.84
C[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058976	0	36	-1.0	-47.83	313.37	1.39	-46.44
CC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005058977	0	39	-1.0	-47.72	322.33	1.36	-46.36
CCC(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058978	0	35	-1.0	-48.47	308.21	0.68	-47.79
O=C(CCCF)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058979	0	35	-1.0	-49.95	309.63	0.85	-49.10
C[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058980	0	36	-1.0	-47.80	313.38	1.29	-46.51
CC(C)C(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058981	0	38	-1.0	-49.04	327.67	1.09	-47.95
O=C(NCC1CN(C(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005058982	0	32	-1.0	-47.86	292.44	-2.79	-50.65
O=C(CO)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058983	0	30	-1.0	-52.50	272.00	-3.02	-55.52
NC(=O)C=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058984	0	34	-1.0	-51.35	311.27	-3.44	-54.79
COC(=O)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058985	0	35	-1.0	-54.85	313.48	0.95	-53.90
CSC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058986	0	34	-1.0	-47.95	316.76	0.83	-47.12
NC(=O)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058987	0	36	-1.0	-50.76	319.22	-3.23	-53.99
O=C(NCC1CN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005058988	0	34	-1.0	-51.96	299.82	-0.49	-52.45
O=C(NCC1CN(C(=O)C2(Cl)CC2)C1)C1=CC(=O)[N-]O1	REAL250005058989	0	33	-1.0	-46.24	302.54	0.97	-45.27
O=C(NCC1CN(C(=O)C2=CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005058990	0	35	-1.0	-47.97	307.36	-0.26	-48.23
O=C(NCC1CN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005058991	0	34	-1.0	-48.34	298.90	-1.54	-49.88
O=C(C=CCO)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058992	0	34	-1.0	-51.10	305.97	-2.85	-53.95
CC=CC(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058993	0	37	-1.0	-48.11	320.46	-0.75	-48.86
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058994	0	41	0.0	-67.13	335.36	0.99	-66.14
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005058994	1	40	-1.0	-48.47	333.34	-1.28	-49.75
CCC=C(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058995	0	36	-1.0	-46.32	318.03	1.20	-45.12
CCC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058996	0	36	-1.0	-47.94	315.96	1.28	-46.66
[N-]=[N+]=NCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058997	0	34	-1.0	-47.02	311.67	-3.44	-50.46
C#CCOCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058998	0	35	-1.0	-53.56	321.90	0.84	-52.72
CC(O)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058999	0	39	-1.0	-48.05	334.84	-1.80	-49.85
C#CCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059000	0	34	-1.0	-47.88	308.82	1.22	-46.66
CC=CC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059001	0	37	-1.0	-48.14	330.01	1.96	-46.18
COCC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059002	0	37	-1.0	-49.75	328.22	-0.44	-50.19
CCC(C)(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059003	0	39	-1.0	-46.78	327.13	-2.09	-48.87
C#CCC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059004	0	37	-1.0	-47.54	324.39	1.47	-46.07
C=CC(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059005	0	34	-1.0	-48.38	304.82	-1.68	-50.06
O=C(NCC1CN(C(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005059006	0	37	-1.0	-48.02	318.30	1.76	-46.26
C=C[C@H](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059007	0	39	-1.0	-46.94	332.55	1.85	-45.09
O=C(C=CC1CC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059008	0	37	-1.0	-47.92	326.84	2.10	-45.82
CCC(C#N)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059009	0	36	-1.0	-49.08	318.74	0.66	-48.42
O=C(NCC1CN(C(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005059010	0	37	-1.0	-47.69	314.76	2.03	-45.66
C=C1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059011	0	37	-1.0	-47.56	319.54	1.55	-46.01
C[C@H]1C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005059012	0	39	-1.0	-46.51	322.21	1.88	-44.63
CC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059013	0	41	0.0	-67.91	334.85	1.34	-66.57
CC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059013	1	41	0.0	-67.86	334.85	1.34	-66.52
CCN(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059013	1	40	-1.0	-48.00	333.01	-0.96	-48.96
CC(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059014	0	33	-1.0	-48.81	289.85	-2.33	-51.14
CC(=O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059015	0	31	-1.0	-46.82	282.08	-1.01	-47.83
N#CCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059016	0	36	-1.0	-55.20	323.88	1.15	-54.05
N#CC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059017	0	34	-1.0	-48.53	306.68	0.65	-47.88
C=C1CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005059018	0	37	-1.0	-47.32	321.80	1.66	-45.66
O=C(NCC1CN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059019	0	33	-1.0	-46.66	295.48	0.62	-46.04
COC(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059020	0	39	-1.0	-47.09	324.93	-0.58	-47.67
CC(CC#N)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059021	0	36	-1.0	-49.07	317.96	0.66	-48.41
CCC1CC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059022	0	39	-1.0	-47.67	334.84	2.14	-45.53
C=CC(C)(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059023	0	37	-1.0	-47.15	320.57	-1.91	-49.06
CCCC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059024	0	39	-1.0	-47.76	337.46	2.06	-45.70
CC=C(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059025	0	33	-1.0	-46.54	297.73	0.47	-46.07
C[C@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059026	0	41	0.0	-67.10	334.51	1.04	-66.06
C[C@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059026	1	40	-1.0	-48.09	327.32	-1.57	-49.66
CCOC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059027	0	37	-1.0	-48.29	327.80	0.14	-48.15
CC(=O)OCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059028	0	35	-1.0	-51.55	317.61	0.93	-50.62
CC(=O)C=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059029	0	35	-1.0	-49.71	318.27	0.43	-49.28
O=C(COC1CC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059030	0	37	-1.0	-51.59	326.49	1.10	-50.49
O=C(NCC1CN(C(=O)C2=NC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005059031	0	33	-1.0	-50.05	297.74	-0.86	-50.91
CC(CO)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059032	0	36	-1.0	-47.92	309.37	-3.00	-50.92
O=C(NCC1CN(C(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005059033	0	32	-1.0	-50.75	290.39	-0.59	-51.34
O=C(CCCCO)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059034	0	39	-1.0	-49.19	335.95	-1.93	-51.12
O=C(NCC1CN(C(=O)C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005059035	0	35	-1.0	-46.89	312.70	0.49	-46.40
O=C(CC1(O)CC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059036	0	37	-1.0	-51.12	324.46	-1.55	-52.67
O=C(NCC1CN(C(=O)C2CCC2F)C1)C1=CC(=O)[N-]O1	REAL250005059037	0	36	-1.0	-51.14	312.63	1.33	-49.81
O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2CF)C1)C1=CC(=O)[N-]O1	REAL250005059038	0	36	-1.0	-49.88	320.01	1.52	-48.36
CCC(CO)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059039	0	39	-1.0	-48.05	331.59	-2.25	-50.30
N#C[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059040	0	34	-1.0	-57.02	309.01	0.93	-56.09
O=C(NCC1CN(C(=O)C2=COCC2)C1)C1=CC(=O)[N-]O1	REAL250005059041	0	35	-1.0	-48.44	303.32	-0.61	-49.05
O=C(NCC1CN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059042	0	34	-1.0	-47.29	304.03	-2.78	-50.07
O=C(NCC1CN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005059043	0	34	-1.0	-48.93	299.89	1.15	-47.78
CC(CF)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059044	0	35	-1.0	-46.77	307.65	0.52	-46.25
CC(Cl)=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059045	0	33	-1.0	-48.81	307.14	1.04	-47.77
CC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059046	0	33	-1.0	-48.18	294.87	0.52	-47.66
CC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005059047	0	36	-1.0	-52.72	318.40	1.17	-51.55
O=C(C=CCF)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059048	0	33	-1.0	-49.74	301.05	0.63	-49.11
O=C(NCC1CN(C(=O)C2(CO)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059049	0	37	-1.0	-51.35	321.78	-2.30	-53.65
O=C(NCC1CN(C(=O)C2=CC=NO2)C1)C1=CC(=O)[N-]O1	REAL250005059050	0	32	-1.0	-48.27	293.71	-0.51	-48.78
C[C@H](O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059052	0	33	-1.0	-48.80	289.78	-2.32	-51.12
CON=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059053	0	33	-1.0	-50.64	303.87	-1.59	-52.23
CC(C)[C@H](O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059054	0	39	-1.0	-47.84	324.25	-0.90	-48.74
C#CC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059055	0	35	-1.0	-47.31	312.66	1.41	-45.90
C=CC=CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059056	0	37	-1.0	-48.38	329.70	1.91	-46.47
C#C[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059057	0	35	-1.0	-50.24	314.91	1.80	-48.44
CC=C(CC)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059058	0	39	-1.0	-47.83	321.60	1.35	-46.48
COC(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059059	0	33	-1.0	-50.97	299.16	-1.37	-52.34
COCC(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059060	0	37	-1.0	-49.08	321.60	-3.13	-52.21
N#C[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059061	0	34	-1.0	-49.93	312.99	1.15	-48.78
O=C(NCC1CN(C(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005059062	0	37	-1.0	-50.96	319.64	-2.28	-53.24
O=C(COCCO)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059063	0	37	-1.0	-54.17	327.49	-2.83	-57.00
CC(C)(CF)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059064	0	38	-1.0	-46.57	317.76	0.81	-45.76
CC(C)(CO)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059065	0	39	-1.0	-47.85	322.12	-2.49	-50.34
C=CCC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059066	0	39	-1.0	-47.31	334.80	1.64	-45.67
C[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059067	0	36	-1.0	-47.83	313.37	1.39	-46.44
CC(C)(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059068	0	36	-1.0	-48.29	309.79	-2.69	-50.98
O=C(NCC1CN(C(=O)C2=NOCC2)C1)C1=CC(=O)[N-]O1	REAL250005059069	0	34	-1.0	-48.07	303.48	-1.18	-49.25
CC(C#N)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059070	0	36	-1.0	-48.69	319.08	0.98	-47.71
CC(CCO)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059071	0	39	-1.0	-53.34	331.58	-2.23	-55.57
O=C(NCC1CN(C(=O)[C@H](O)CF)C1)C1=CC(=O)[N-]O1	REAL250005059072	0	33	-1.0	-49.55	294.28	-2.20	-51.75
O=C(NCC1CN(C(=O)C2(O)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005059073	0	37	-1.0	-48.43	313.63	-2.01	-50.44
O=C(NCC1CN(C(=O)C(O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005059074	0	37	-1.0	-47.78	319.00	-0.83	-48.61
C=C(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059075	0	36	-1.0	-47.73	315.80	1.13	-46.60
CC(C)(C#N)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059076	0	36	-1.0	-49.04	315.35	0.37	-48.67
CCSCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059077	0	36	-1.0	-49.74	326.07	1.27	-48.47
CC(C)=C(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059078	0	39	-1.0	-48.27	332.38	1.70	-46.57
CNC(=O)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059079	0	36	-1.0	-58.41	317.63	-0.98	-59.39
O=C(NCC1CN(C(=O)C2CC(F)C2)C1)C1=CC(=O)[N-]O1	REAL250005059080	0	36	-1.0	-47.79	314.30	1.20	-46.59
C=CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059081	0	33	-1.0	-48.00	294.45	0.48	-47.52
C[NH+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059082	0	38	0.0	-68.83	317.12	0.65	-68.18
CN(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059082	1	37	-1.0	-48.11	315.04	-1.75	-49.86
N#CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059083	0	30	-1.0	-55.65	280.99	-0.45	-56.10
O=C(NCC1CN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005059084	0	33	-1.0	-51.25	298.26	0.77	-50.48
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059085	0	41	0.0	-67.13	335.36	0.99	-66.14
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059085	1	40	-1.0	-48.47	333.34	-1.28	-49.75
O=C(CCF)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059086	0	32	-1.0	-47.10	288.13	0.09	-47.01
O=C(NCC1CN(C(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005059087	0	37	-1.0	-47.48	315.39	1.53	-45.95
C#CC(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059088	0	37	-1.0	-47.51	321.78	1.27	-46.24
CO[C@H](C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059089	0	36	-1.0	-50.83	311.49	-0.11	-50.94
CC(=O)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059090	0	37	-1.0	-49.14	326.24	0.62	-48.52
C[C@@H](O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059091	0	33	-1.0	-48.84	290.11	-2.40	-51.24
O=C(CN1CCC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059092	0	38	-1.0	-49.12	322.90	-2.13	-51.25
O=C(C[NH+]1CCC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059092	1	39	0.0	-68.62	327.40	1.04	-67.58
CC(O)C(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059093	0	39	-1.0	-49.31	323.92	-1.10	-50.41
C=C1CC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059094	0	34	-1.0	-48.02	305.61	1.21	-46.81
COC(OC)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059095	0	37	-1.0	-50.07	316.66	-0.99	-51.06
CC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005059096	0	37	-1.0	-50.39	314.90	-1.34	-51.73
O=C(NCC1CN(C(=O)C2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005059097	0	34	-1.0	-55.02	305.98	-3.79	-58.81
O=C(NCC1CN(C(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005059098	0	34	-1.0	-55.09	305.92	-3.73	-58.82
CCC[C@H](O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059099	0	39	-1.0	-48.05	330.18	-0.83	-48.88
O=C(NCC1CN(C(=O)C2(F)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005059100	0	36	-1.0	-46.55	312.40	1.17	-45.38
O=C(NCC1CN(C(=O)C2=CNC=N2)C1)C1=CC(=O)[N-]O1	REAL250005059101	0	33	-1.0	-51.87	297.64	-0.17	-52.04
O=C(NCC1CN(C(=O)C2=CN=CN2)C1)C1=CC(=O)[N-]O1	REAL250005059101	1	33	-1.0	-51.49	294.50	-0.23	-51.72
O=C(NCC1CN(C(=O)C2CC(=O)C2)C1)C1=CC(=O)[N-]O1	REAL250005059102	0	35	-1.0	-49.67	311.00	0.30	-49.37
O=C(NCC1CN(C(=O)C2(O)COC2)C1)C1=CC(=O)[N-]O1	REAL250005059103	0	35	-1.0	-47.51	305.54	-4.22	-51.73
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005059104	0	37	-1.0	-48.99	319.17	1.72	-47.27
CC1=CC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059105	0	34	-1.0	-48.81	307.07	1.43	-47.38
CN(C)C(=O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059106	0	36	-1.0	-47.76	311.43	-1.51	-49.27
CCCC(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059107	0	39	-1.0	-48.03	330.24	-0.82	-48.85
CCC(O)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059108	0	39	-1.0	-50.60	333.71	-0.90	-51.50
O=C(CCCCF)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059109	0	38	-1.0	-48.22	331.12	1.54	-46.68
O=C(NCC1CN(C(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005059110	0	34	-1.0	-54.59	306.48	-3.38	-57.97
COC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059111	0	37	-1.0	-47.18	324.82	-0.52	-47.70
O=C(NCC1CN(C(=O)C2CSC2)C1)C1=CC(=O)[N-]O1	REAL250005059112	0	34	-1.0	-47.75	308.15	0.86	-46.89
C=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059113	0	30	-1.0	-48.33	273.14	-0.35	-48.68
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005059114	0	34	-1.0	-56.64	304.58	-3.56	-60.20
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005059115	0	36	-1.0	-49.19	312.79	1.20	-47.99
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005059116	0	32	-1.0	-49.92	293.68	-0.52	-50.44
CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059117	0	33	-1.0	-49.15	277.68	1.91	-47.24
COCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059118	0	37	-1.0	-48.91	311.36	0.99	-47.92
CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059119	0	30	-1.0	-49.37	256.45	1.06	-48.31
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CC1	REAL250005059120	0	34	-1.0	-49.15	288.07	2.62	-46.53
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCC1	REAL250005059121	0	37	-1.0	-49.00	303.76	3.15	-45.85
O=C(CC1CC1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059122	0	37	-1.0	-49.26	308.59	3.45	-45.81
CC(C)(F)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059123	0	36	-1.0	-49.34	297.11	2.31	-47.03
COCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059124	0	34	-1.0	-52.11	290.62	1.27	-50.84
CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059125	0	36	-1.0	-48.98	299.16	2.69	-46.29
CC(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059126	0	39	-1.0	-48.59	315.98	3.28	-45.31
CC1CC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059127	0	37	-1.0	-49.07	309.11	3.34	-45.73
CCOCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059128	0	37	-1.0	-52.10	312.33	2.29	-49.81
CC(C)=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059129	0	37	-1.0	-48.46	306.80	3.16	-45.30
CSCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059130	0	34	-1.0	-51.16	300.96	2.31	-48.85
CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059131	0	39	-1.0	-49.02	320.68	3.46	-45.56
CC(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059132	0	36	-1.0	-48.51	297.44	2.45	-46.06
CCC(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059133	0	39	-1.0	-48.27	315.39	3.06	-45.21
COC(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059134	0	37	-1.0	-52.19	306.11	1.76	-50.43
C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059135	0	37	-1.0	-48.62	312.00	3.24	-45.38
CC=C(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059136	0	37	-1.0	-49.77	311.07	3.03	-46.74
CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005059137	0	37	-1.0	-49.83	307.35	3.02	-46.81
C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059138	0	37	-1.0	-49.08	309.11	3.34	-45.74
CCC(F)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059139	0	36	-1.0	-51.09	304.06	2.64	-48.45
O=C(CCCF)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059140	0	36	-1.0	-51.30	305.76	2.83	-48.47
C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059141	0	37	-1.0	-48.87	309.41	3.31	-45.56
NC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059142	0	31	-1.0	-48.50	270.84	-2.89	-51.39
CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059143	0	39	-1.0	-51.45	306.36	2.49	-48.96
C=CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059144	0	34	-1.0	-49.19	290.85	2.42	-46.77
C[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059145	0	39	0.0	-69.45	313.34	2.62	-66.83
CN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059145	1	38	-1.0	-49.60	311.16	0.24	-49.36
C=CC(O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059146	0	35	-1.0	-50.29	294.35	0.30	-49.99
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1COC1	REAL250005059147	0	35	-1.0	-49.64	295.19	0.35	-49.29
CO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059148	0	37	-1.0	-54.94	304.89	1.69	-53.25
CCC=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059149	0	37	-1.0	-49.03	311.66	3.24	-45.79
O=C(CO)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059151	0	31	-1.0	-53.57	268.12	-0.99	-54.56
CC(O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059152	0	34	-1.0	-50.29	283.73	-0.43	-50.72
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CC1F	REAL250005059153	0	34	-1.0	-52.80	292.74	2.78	-50.02
O=C(CCF)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059154	0	33	-1.0	-48.30	284.28	2.06	-46.24
O=C(C=CCF)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059155	0	34	-1.0	-50.33	296.82	2.60	-47.73
C#CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059156	0	35	-1.0	-49.21	304.97	3.20	-46.01
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCO1	REAL250005059157	0	35	-1.0	-53.58	293.95	1.46	-52.12
CC(C)(O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059158	0	37	-1.0	-47.11	304.03	-0.62	-47.73
CC1=CC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059159	0	35	-1.0	-50.35	303.21	3.35	-47.00
C[C@@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059160	0	34	-1.0	-51.61	282.97	-0.52	-52.13
O=C(C=CCO)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059161	0	35	-1.0	-51.79	301.67	-0.88	-52.67
COC(F)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059162	0	34	-1.0	-52.19	295.09	0.70	-51.49
O=C(C1=CCC1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059163	0	35	-1.0	-50.11	294.54	3.03	-47.08
CON=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059164	0	34	-1.0	-51.37	299.48	0.43	-50.94
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CC1	REAL250005059165	0	34	-1.0	-46.45	291.55	2.57	-43.88
CC=C(F)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059166	0	34	-1.0	-47.52	293.28	2.42	-45.10
CC(CO)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059167	0	37	-1.0	-49.38	308.82	-0.94	-50.32
C[C@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059168	0	34	-1.0	-48.53	284.42	-0.42	-48.95
C=C1CC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059169	0	35	-1.0	-49.42	301.37	3.22	-46.20
CC(CF)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059170	0	36	-1.0	-50.39	302.35	2.53	-47.86
C=C(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059171	0	37	-1.0	-49.16	312.21	3.09	-46.07
CC=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059172	0	34	-1.0	-49.27	290.57	2.48	-46.79
C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059173	0	37	-1.0	-49.08	309.11	3.34	-45.74
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](O)CF	REAL250005059174	0	34	-1.0	-51.87	290.73	-0.27	-52.14
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1(O)CC1	REAL250005059175	0	35	-1.0	-48.22	299.73	-0.80	-49.02
O=C(CC1CC1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059176	0	37	-1.0	-49.26	308.59	3.45	-45.81
CC(C)(F)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059177	0	36	-1.0	-49.34	297.11	2.31	-47.03
COCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059178	0	34	-1.0	-52.11	290.62	1.27	-50.84
CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059179	0	36	-1.0	-48.98	299.16	2.69	-46.29
CC(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059180	0	39	-1.0	-48.59	315.98	3.28	-45.31
CC1CC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059181	0	37	-1.0	-49.07	309.11	3.34	-45.73
CCOCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059182	0	37	-1.0	-52.10	312.33	2.29	-49.81
CC(C)=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059183	0	37	-1.0	-48.46	306.80	3.16	-45.30
CSCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059184	0	34	-1.0	-51.16	300.96	2.31	-48.85
CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059185	0	39	-1.0	-49.02	320.68	3.46	-45.56
CC(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059186	0	36	-1.0	-48.51	297.44	2.45	-46.06
CCC(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059187	0	39	-1.0	-48.27	315.39	3.06	-45.21
COC(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059188	0	37	-1.0	-52.19	306.11	1.76	-50.43
C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059189	0	37	-1.0	-48.62	312.00	3.24	-45.38
CC(C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059190	0	34	-1.0	-55.62	297.14	2.07	-53.55
CC=C(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059191	0	37	-1.0	-49.77	311.07	3.03	-46.74
CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059192	0	33	-1.0	-49.15	277.68	1.91	-47.24
COCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059193	0	37	-1.0	-48.91	311.36	0.99	-47.92
CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059194	0	30	-1.0	-49.37	256.45	1.06	-48.31
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CC1	REAL250005059195	0	34	-1.0	-49.15	288.07	2.62	-46.53
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCC1	REAL250005059196	0	37	-1.0	-49.00	303.76	3.15	-45.85
NC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059197	0	31	-1.0	-48.50	270.84	-2.89	-51.39
CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059198	0	39	-1.0	-51.45	306.36	2.49	-48.96
CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005059199	0	37	-1.0	-49.83	307.35	3.02	-46.81
C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059200	0	37	-1.0	-49.08	309.11	3.34	-45.74
CCC(F)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059201	0	36	-1.0	-51.09	304.06	2.64	-48.45
O=C(CCCF)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059202	0	36	-1.0	-51.30	305.76	2.83	-48.47
C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059203	0	37	-1.0	-48.87	309.41	3.31	-45.56
O=C(CO)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059204	0	31	-1.0	-53.57	268.12	-0.99	-54.56
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCO1	REAL250005059205	0	35	-1.0	-53.58	293.95	1.46	-52.12
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1COC1	REAL250005059206	0	35	-1.0	-49.64	295.19	0.35	-49.29
O=C(C=CCO)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059207	0	35	-1.0	-51.79	301.67	-0.88	-52.67
CCC=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059208	0	37	-1.0	-49.03	311.66	3.24	-45.79
C#CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059209	0	35	-1.0	-49.21	304.97	3.20	-46.01
C=CC(O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059210	0	35	-1.0	-50.29	294.35	0.30	-49.99
CC(O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059211	0	34	-1.0	-50.29	283.73	-0.43	-50.72
CC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059212	0	32	-1.0	-47.61	277.66	1.00	-46.61
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CC1	REAL250005059213	0	34	-1.0	-46.45	291.55	2.57	-43.88
CC=C(F)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059214	0	34	-1.0	-47.52	293.28	2.42	-45.10
CC(CO)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059215	0	37	-1.0	-49.38	308.82	-0.94	-50.32
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1(O)CC1	REAL250005059216	0	35	-1.0	-48.22	299.73	-0.80	-49.02
O=C(C1=CCC1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059217	0	35	-1.0	-50.11	294.54	3.03	-47.08
CC(CF)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059218	0	36	-1.0	-50.39	302.35	2.53	-47.86
CC=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059219	0	34	-1.0	-49.27	290.57	2.48	-46.79
O=C(C=CCF)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059220	0	34	-1.0	-50.33	296.82	2.60	-47.73
C[C@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059222	0	34	-1.0	-48.53	284.42	-0.42	-48.95
CON=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059223	0	34	-1.0	-51.37	299.48	0.43	-50.94
COC(F)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059224	0	34	-1.0	-52.19	295.09	0.70	-51.49
C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059225	0	37	-1.0	-49.08	309.11	3.34	-45.74
CC(C)(O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059226	0	37	-1.0	-47.11	304.03	-0.62	-47.73
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](O)CF	REAL250005059227	0	34	-1.0	-51.87	290.73	-0.27	-52.14
C=C(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059228	0	37	-1.0	-49.16	312.21	3.09	-46.07
C=CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059229	0	34	-1.0	-49.19	290.85	2.42	-46.77
C[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059230	0	39	0.0	-69.45	313.34	2.62	-66.83
CN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059230	1	38	-1.0	-49.60	311.16	0.24	-49.36
N#CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059231	0	31	-1.0	-56.78	277.11	1.56	-55.22
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CC1F	REAL250005059232	0	34	-1.0	-52.80	292.74	2.78	-50.02
O=C(CCF)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059233	0	33	-1.0	-48.30	284.28	2.06	-46.24
CO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059234	0	37	-1.0	-54.94	304.89	1.69	-53.25
C[C@@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059235	0	34	-1.0	-51.61	282.97	-0.52	-52.13
C=C1CC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059236	0	35	-1.0	-49.42	301.37	3.22	-46.20
CC1=CC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059237	0	35	-1.0	-50.35	303.21	3.35	-47.00
C=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059238	0	31	-1.0	-49.24	269.36	1.53	-47.71
CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059239	0	32	-1.0	-49.34	272.38	-0.06	-49.40
COCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059240	0	36	-1.0	-50.54	306.92	-1.01	-51.55
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005059241	0	33	-1.0	-48.94	282.83	0.70	-48.24
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005059242	0	36	-1.0	-51.03	300.08	1.16	-49.87
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC1	REAL250005059243	0	39	-1.0	-49.01	315.43	1.81	-47.20
O=C(CC1CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059244	0	36	-1.0	-49.63	303.33	1.47	-48.16
CC(C)(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059245	0	35	-1.0	-48.59	299.06	0.60	-47.99
CC(F)(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059246	0	32	-1.0	-46.78	285.17	0.10	-46.68
COCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059247	0	33	-1.0	-52.26	285.03	-0.71	-52.97
CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059248	0	35	-1.0	-51.18	294.88	0.65	-50.53
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CO1	REAL250005059249	0	33	-1.0	-50.83	293.01	0.20	-50.63
CC(=O)NCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059250	0	36	-1.0	-51.00	310.69	-2.38	-53.38
CC(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059251	0	38	-1.0	-50.73	311.61	1.25	-49.48
CC1CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059252	0	36	-1.0	-50.88	305.28	1.33	-49.55
CCOCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059253	0	36	-1.0	-52.32	306.89	0.25	-52.07
CC(C)=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059254	0	36	-1.0	-48.44	301.61	1.24	-47.20
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCO1	REAL250005059255	0	37	-1.0	-54.43	309.42	0.50	-53.93
CSCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059256	0	33	-1.0	-51.51	295.38	0.36	-51.15
CSCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059257	0	36	-1.0	-50.06	317.98	1.15	-48.91
CC(C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059258	0	41	-1.0	-50.90	333.81	1.97	-48.93
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005059259	0	34	-1.0	-51.88	294.94	0.02	-51.86
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=C1	REAL250005059260	0	33	-1.0	-52.39	291.08	0.22	-52.17
CCCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059261	0	41	-1.0	-51.24	337.94	2.21	-49.03
CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059262	0	41	-1.0	-47.93	325.51	1.81	-46.12
CCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059263	0	38	-1.0	-51.28	316.39	1.43	-49.85
CC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059264	0	35	-1.0	-50.81	292.93	0.56	-50.25
CCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059265	0	38	-1.0	-50.83	311.06	1.20	-49.63
CCC(CC)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059266	0	41	-1.0	-50.57	327.36	1.68	-48.89
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005059267	0	33	-1.0	-50.05	289.59	-1.29	-51.34
CSC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059268	0	36	-1.0	-53.81	315.00	0.87	-52.94
CCOC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059269	0	39	-1.0	-51.89	326.68	0.95	-50.94
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNN=C1	REAL250005059270	0	33	-1.0	-51.05	289.82	-1.32	-52.37
COCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059271	0	39	-1.0	-54.16	328.62	-0.28	-54.44
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOC=C1	REAL250005059272	0	32	-1.0	-50.67	287.34	-0.53	-51.20
CCC=C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059273	0	39	-1.0	-50.92	322.09	1.97	-48.95
COC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059274	0	36	-1.0	-54.32	305.89	-0.05	-54.37
CC(C)OCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059275	0	39	-1.0	-52.13	327.15	0.98	-51.15
CCCOCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059276	0	39	-1.0	-54.37	329.39	1.03	-53.34
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCOC1	REAL250005059277	0	37	-1.0	-49.39	306.23	-0.80	-50.19
CCC(OC)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059278	0	39	-1.0	-53.24	326.92	0.83	-52.41
COC(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059279	0	39	-1.0	-50.82	325.13	0.51	-50.31
C=CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059280	0	36	-1.0	-50.73	307.56	1.24	-49.49
CCOCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059281	0	39	-1.0	-50.44	328.77	-0.05	-50.49
COCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059282	0	39	-1.0	-48.52	324.71	-0.28	-48.80
C=CCOCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059283	0	37	-1.0	-54.90	320.79	0.81	-54.09
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=N1	REAL250005059284	0	32	-1.0	-50.16	286.84	-3.18	-53.34
CCCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059285	0	41	-1.0	-49.13	331.56	2.00	-47.13
O=C(CCC1CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059286	0	39	-1.0	-51.41	326.50	2.23	-49.18
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC=CC1	REAL250005059287	0	37	-1.0	-50.86	308.97	1.65	-49.21
O=C(CC1CCC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059288	0	39	-1.0	-51.49	321.29	1.95	-49.54
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005059289	0	39	-1.0	-51.15	322.15	2.01	-49.14
CC=C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059290	0	36	-1.0	-51.09	301.70	1.19	-49.90
CC1CC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005059291	0	39	-1.0	-49.20	320.15	1.85	-47.35
O=C(C=C1CCC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059292	0	37	-1.0	-50.97	312.48	1.90	-49.07
CC(C)=C(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059293	0	36	-1.0	-46.16	306.19	1.29	-44.87
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005059294	0	37	-1.0	-48.74	308.90	1.81	-46.93
CC1(C)CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059295	0	39	-1.0	-48.24	319.42	1.93	-46.31
CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059296	0	39	-1.0	-48.44	319.51	1.92	-46.52
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCCO1	REAL250005059297	0	37	-1.0	-52.64	308.43	0.48	-52.16
CCC(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059298	0	41	-1.0	-48.66	328.77	1.95	-46.71
C#CCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059299	0	37	-1.0	-54.26	322.23	1.95	-52.31
CC(C)(O)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059300	0	39	-1.0	-48.83	316.85	-0.65	-49.48
CC(C)[C@@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059301	0	39	-1.0	-49.74	319.33	-1.62	-51.36
CCC(C)=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059302	0	39	-1.0	-49.63	324.31	1.99	-47.64
CC(C)C#CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059303	0	37	-1.0	-49.08	321.69	1.96	-47.12
O=C(C#CC1CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059304	0	35	-1.0	-49.49	311.38	2.13	-47.36
C=C(C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059305	0	39	-1.0	-50.36	329.20	1.91	-48.45
CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059306	0	36	-1.0	-48.65	300.59	1.30	-47.35
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CCCO1	REAL250005059307	0	37	-1.0	-55.31	309.73	0.48	-54.83
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNN=C1	REAL250005059308	0	32	-1.0	-49.42	286.30	-2.78	-52.20
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005059308	1	32	-1.0	-51.00	284.40	-2.67	-53.67
CC1(CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059309	0	39	-1.0	-49.13	322.62	1.97	-47.16
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005059310	0	32	-1.0	-51.42	287.65	-3.07	-54.49
C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059311	0	39	-1.0	-50.97	320.58	1.52	-49.45
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059312	0	36	-1.0	-48.84	304.20	1.39	-47.45
CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005059313	0	39	-1.0	-48.85	316.27	1.73	-47.12
CCC(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059314	0	35	-1.0	-51.83	301.02	0.72	-51.11
O=C(CCCF)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059315	0	35	-1.0	-54.31	301.54	0.79	-53.52
C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059316	0	36	-1.0	-50.59	305.13	1.36	-49.23
CC(C)C(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059317	0	38	-1.0	-52.41	320.37	1.20	-51.21
C=CCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059318	0	39	-1.0	-51.67	329.26	1.99	-49.68
CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059319	0	41	-1.0	-48.83	325.01	1.67	-47.16
NC(=O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059320	0	30	-1.0	-47.80	267.70	-4.72	-52.52
CC1CC1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059321	0	39	-1.0	-49.18	322.59	2.11	-47.07
CCC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059322	0	39	-1.0	-50.85	326.57	1.84	-49.01
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005059323	0	36	-1.0	-50.07	306.25	1.38	-48.69
CC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059324	0	38	-1.0	-50.43	311.68	1.14	-49.29
CC(C)C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059325	0	41	-1.0	-50.32	326.96	1.75	-48.57
CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059326	0	39	-1.0	-50.93	326.69	2.10	-48.83
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC12CC2	REAL250005059327	0	37	-1.0	-51.37	316.35	2.12	-49.25
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC(=O)N1	REAL250005059328	0	34	-1.0	-57.44	297.33	-3.38	-60.82
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CC(=O)N1	REAL250005059329	0	34	-1.0	-59.78	297.85	-3.76	-63.54
COC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059330	0	37	-1.0	-53.28	312.83	0.24	-53.04
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005059331	0	34	-1.0	-49.32	298.92	0.85	-48.47
C=CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059332	0	33	-1.0	-49.46	285.30	0.47	-48.99
C[NH+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059333	0	38	0.0	-75.03	308.97	0.61	-74.42
CN(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059333	1	37	-1.0	-51.62	306.89	-1.78	-53.40
C=CC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059334	0	34	-1.0	-51.24	297.39	-1.71	-52.95
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005059335	0	34	-1.0	-49.98	289.72	-1.57	-51.55
CO[C@H](C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059336	0	36	-1.0	-51.90	304.83	-0.01	-51.91
CC=CC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059337	0	37	-1.0	-51.06	319.10	-0.85	-51.91
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059338	0	41	0.0	-73.37	327.08	1.00	-72.37
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059338	1	40	-1.0	-51.46	319.35	-1.35	-52.81
CCC=C(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059339	0	36	-1.0	-47.43	312.26	1.31	-46.12
CCC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059340	0	36	-1.0	-50.87	308.07	1.26	-49.61
CC(C)(CO)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059342	0	39	-1.0	-48.83	320.17	-2.04	-50.87
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005059343	0	36	-1.0	-47.75	306.49	1.23	-46.52
O=C(CO)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059344	0	30	-1.0	-54.02	262.83	-3.00	-57.02
NC(=O)C=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059345	0	34	-1.0	-52.56	303.21	-3.45	-56.01
CC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059346	0	33	-1.0	-51.76	284.19	-2.25	-54.01
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005059347	0	37	-1.0	-49.44	305.67	-1.84	-51.28
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005059348	0	37	-1.0	-48.92	311.52	-0.40	-49.32
C=CCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059349	0	39	-1.0	-48.46	324.50	1.84	-46.62
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005059350	0	33	-1.0	-55.71	288.61	0.76	-54.95
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059351	0	41	0.0	-73.37	327.08	1.00	-72.37
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059351	1	40	-1.0	-51.46	319.35	-1.35	-52.81
O=C(CCF)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059352	0	32	-1.0	-48.57	278.88	0.07	-48.50
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005059353	0	35	-1.0	-51.61	298.97	-4.13	-55.74
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005059354	0	37	-1.0	-49.71	315.16	2.17	-47.54
CCC1CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059355	0	39	-1.0	-50.34	321.22	2.10	-48.24
O=C(CC1(O)CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059356	0	37	-1.0	-55.23	315.20	-2.07	-57.30
O=C(C=CCF)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059357	0	33	-1.0	-52.91	293.00	0.65	-52.26
C#CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059358	0	34	-1.0	-51.17	300.67	1.17	-50.00
O=C(CN1CCC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059359	0	38	-1.0	-50.60	313.75	-2.15	-52.75
O=C(C[NH+]1CCC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059359	1	39	0.0	-72.86	317.99	1.08	-71.78
C#C[C@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059360	0	35	-1.0	-54.24	306.77	1.82	-52.42
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C2CCC21	REAL250005059361	0	37	-1.0	-51.12	306.60	1.98	-49.14
C=C1CCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059362	0	37	-1.0	-48.70	312.56	1.72	-46.98
C[C@H]1C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005059363	0	39	-1.0	-47.95	313.04	1.88	-46.07
C[C@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059364	0	41	0.0	-70.35	326.05	1.08	-69.27
C[C@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059364	1	40	-1.0	-51.39	318.58	-1.45	-52.84
CC=CC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059365	0	37	-1.0	-49.05	321.03	1.99	-47.06
COCC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059366	0	37	-1.0	-52.90	320.18	-0.43	-53.33
CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005059367	0	37	-1.0	-49.23	308.00	-0.96	-50.19
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005059368	0	34	-1.0	-53.42	290.77	-0.44	-53.86
[N-]=[N+]=NCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059369	0	34	-1.0	-50.10	303.38	-3.47	-53.57
C#CCOCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059370	0	35	-1.0	-55.10	312.68	0.78	-54.32
CC(C)(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059371	0	36	-1.0	-48.89	303.87	-2.68	-51.57
CC1=CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059372	0	34	-1.0	-49.54	297.88	1.40	-48.14
CN(C)C(=O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059373	0	36	-1.0	-47.48	305.40	-1.23	-48.71
CSC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059374	0	34	-1.0	-48.51	307.92	0.86	-47.65
CCC(C)(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059375	0	39	-1.0	-49.07	320.69	-2.00	-51.07
CC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059376	0	41	0.0	-72.57	325.63	1.31	-71.26
CC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059376	1	41	0.0	-72.66	325.63	1.31	-71.35
CCN(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059376	1	40	-1.0	-51.71	324.86	-1.00	-52.71
C=C1CC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005059377	0	37	-1.0	-50.48	313.59	1.70	-48.78
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005059378	0	36	-1.0	-49.18	306.76	1.25	-47.93
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005059379	0	33	-1.0	-53.31	289.75	-0.23	-53.54
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005059380	0	33	-1.0	-46.08	298.30	1.24	-44.84
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005059381	0	35	-1.0	-49.25	301.50	-0.22	-49.47
CCC[C@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059382	0	39	-1.0	-51.04	326.10	-0.62	-51.66
CC(C)[C@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059383	0	39	-1.0	-51.07	320.47	-0.73	-51.80
CCOC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059384	0	37	-1.0	-49.88	319.89	0.14	-49.74
C[C@@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059385	0	33	-1.0	-53.27	283.44	-2.22	-55.49
O=C(CCCCF)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059386	0	38	-1.0	-51.63	323.04	1.57	-50.06
O=C(C=CCO)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059387	0	34	-1.0	-54.49	298.09	-2.86	-57.35
COC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059388	0	39	-1.0	-52.51	316.84	0.47	-52.04
O=C(CCCCO)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059389	0	39	-1.0	-52.42	327.87	-1.91	-54.33
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005059390	0	37	-1.0	-54.79	316.34	-2.12	-56.91
COC(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059391	0	33	-1.0	-52.06	290.92	-1.23	-53.29
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC1CC2	REAL250005059392	0	37	-1.0	-48.97	311.28	1.90	-47.07
C=C[C@H](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059393	0	39	-1.0	-48.41	323.31	1.82	-46.59
O=C(C=CC1CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059394	0	37	-1.0	-49.09	317.94	2.12	-46.97
CC=C(CC)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059395	0	39	-1.0	-50.52	322.67	1.91	-48.61
C=CC(C)(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059396	0	37	-1.0	-47.41	312.97	-1.90	-49.31
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005059397	0	34	-1.0	-49.47	292.77	1.22	-48.25
CON=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059398	0	33	-1.0	-53.95	295.85	-1.53	-55.48
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005059399	0	33	-1.0	-46.33	289.03	0.74	-45.59
O=C(COCCO)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059400	0	37	-1.0	-58.03	319.26	-2.90	-60.93
CC(C)(CF)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059401	0	38	-1.0	-47.80	315.82	1.25	-46.55
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005059402	0	34	-1.0	-47.80	296.34	-1.19	-48.99
COCC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059403	0	37	-1.0	-49.98	316.54	-2.90	-52.88
C#CC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059404	0	37	-1.0	-53.62	317.64	1.56	-52.06
O=C(COC1CC1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059405	0	37	-1.0	-53.15	317.25	1.04	-52.11
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005059406	0	33	-1.0	-50.71	291.86	-1.06	-51.77
CCCC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059407	0	39	-1.0	-50.73	329.57	2.04	-48.69
CC=C(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059408	0	33	-1.0	-47.68	291.92	0.57	-47.11
CCC(CO)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059409	0	39	-1.0	-49.85	319.28	-1.66	-51.51
CC(CO)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059410	0	36	-1.0	-50.67	303.52	-2.73	-53.40
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CON=C1	REAL250005059411	0	32	-1.0	-52.93	285.91	-0.31	-53.24
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005059412	0	36	-1.0	-52.62	311.93	1.47	-51.15
C#CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059413	0	35	-1.0	-47.89	308.55	1.79	-46.10
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005059414	0	35	-1.0	-49.34	299.00	-0.21	-49.55
C[C@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059415	0	33	-1.0	-49.55	283.10	-2.21	-51.76
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C=CCC1	REAL250005059416	0	37	-1.0	-50.53	309.03	1.67	-48.86
CC(O)C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059417	0	39	-1.0	-54.31	320.43	-1.04	-55.35
C=C1CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059418	0	34	-1.0	-50.89	297.47	1.23	-49.66
CC(CF)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059419	0	35	-1.0	-47.88	297.86	0.74	-47.14
C=C(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059420	0	36	-1.0	-51.26	307.91	1.08	-50.18
CCSCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059421	0	36	-1.0	-51.38	316.84	1.25	-50.13
CC(C)=C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059422	0	39	-1.0	-48.51	316.74	1.94	-46.57
CCCC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059423	0	39	-1.0	-51.64	326.17	-0.64	-52.28
CCC(O)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059424	0	39	-1.0	-52.45	324.48	-0.93	-53.38
CC(Cl)=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059425	0	33	-1.0	-52.66	298.93	1.00	-51.66
CC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059426	0	33	-1.0	-51.09	286.95	0.49	-50.60
CC1(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005059427	0	36	-1.0	-52.98	305.40	1.41	-51.57
O=C(C1=CC(=O)[N-]O1)N1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005059428	0	37	-1.0	-52.90	310.43	-2.20	-55.10
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059429	0	36	-1.0	-48.84	304.20	1.39	-47.45
CNC(=O)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059430	0	36	-1.0	-60.79	308.40	-1.04	-61.83
C=CC=CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059431	0	37	-1.0	-49.80	320.47	1.90	-47.90
NC(=O)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059432	0	36	-1.0	-52.29	310.93	-3.25	-55.54
CC(O)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059433	0	39	-1.0	-50.75	326.55	-1.83	-52.58
C#CCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059434	0	37	-1.0	-50.67	318.54	1.74	-48.93
CC(CCO)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059435	0	39	-1.0	-52.83	321.49	-2.12	-54.95
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005059436	0	33	-1.0	-53.01	290.35	-2.06	-55.07
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005059437	0	34	-1.0	-49.05	291.19	-2.36	-51.41
O=C(CC1CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059438	0	36	-1.0	-47.11	306.05	1.59	-45.52
CC(C)(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059439	0	35	-1.0	-45.23	295.16	0.43	-44.80
CC(F)(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059440	0	32	-1.0	-43.86	284.68	0.07	-43.79
COCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059441	0	33	-1.0	-54.64	287.98	-0.52	-55.16
CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059442	0	35	-1.0	-46.78	296.57	0.82	-45.96
O=C(N[C@H]1CCN(C(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005059443	0	33	-1.0	-51.28	291.96	0.41	-50.87
CC(=O)NCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059444	0	36	-1.0	-48.25	313.79	-2.32	-50.57
CC(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059445	0	38	-1.0	-46.65	314.41	1.42	-45.23
CC1CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059446	0	36	-1.0	-46.96	307.38	1.48	-45.48
CCOCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059447	0	36	-1.0	-55.33	310.86	0.42	-54.91
CC(C)=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059448	0	36	-1.0	-50.80	304.19	1.32	-49.48
O=C(N[C@H]1CCN(C(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005059449	0	37	-1.0	-50.24	308.53	0.50	-49.74
CSCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059450	0	33	-1.0	-53.64	298.32	0.52	-53.12
CSCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059451	0	36	-1.0	-45.96	321.02	1.31	-44.65
CC(C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059452	0	41	-1.0	-46.73	336.78	2.13	-44.60
O=C(N[C@H]1CCN(C(=O)C2=CC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005059453	0	34	-1.0	-54.65	293.34	0.24	-54.41
O=C(N[C@H]1CCN(C(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005059454	0	33	-1.0	-55.72	289.07	-0.01	-55.73
CCCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059455	0	41	-1.0	-46.77	339.60	2.37	-44.40
CC(C)(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059456	0	41	-1.0	-45.76	329.35	1.96	-43.80
CCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059457	0	38	-1.0	-46.85	318.10	1.60	-45.25
CC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059458	0	35	-1.0	-46.52	295.36	0.57	-45.95
CCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059459	0	38	-1.0	-45.85	313.71	1.20	-44.65
CCC(CC)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059460	0	41	-1.0	-46.38	332.66	1.83	-44.55
O=C(N[C@H]1CCN(C(=O)C2=NNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005059461	0	33	-1.0	-53.28	290.60	-0.99	-54.27
O=C(N[C@H]1CCN(C(=O)C2=CC=NN2)C1)C1=CC(=O)[N-]O1	REAL250005059461	1	33	-1.0	-51.25	288.12	-1.19	-52.44
CSC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059462	0	36	-1.0	-49.17	313.95	0.96	-48.21
CCOC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059463	0	39	-1.0	-49.82	325.85	0.90	-48.92
O=C(N[C@H]1CCN(C(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005059464	0	33	-1.0	-52.60	287.43	-1.63	-54.23
COCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059465	0	39	-1.0	-49.49	331.39	-0.09	-49.58
O=C(N[C@H]1CCN(C(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005059466	0	32	-1.0	-50.95	286.48	-0.18	-51.13
CCC=C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059467	0	39	-1.0	-47.07	316.66	1.56	-45.51
COC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059468	0	36	-1.0	-49.92	302.36	-0.11	-50.03
CC(C)OCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059469	0	39	-1.0	-50.12	331.00	1.17	-48.95
CCCOCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059470	0	39	-1.0	-55.14	332.36	1.22	-53.92
O=C(N[C@H]1CCN(C(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005059471	0	37	-1.0	-46.83	306.89	-0.82	-47.65
CCC(OC)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059472	0	39	-1.0	-48.78	325.66	0.78	-48.00
COC(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059473	0	39	-1.0	-48.62	329.00	0.67	-47.95
C=CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059474	0	36	-1.0	-46.71	309.41	1.39	-45.32
CCOCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059475	0	39	-1.0	-46.28	331.81	0.11	-46.17
COCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059476	0	39	-1.0	-45.50	327.94	-0.32	-45.82
C=CCOCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059477	0	37	-1.0	-55.66	323.77	0.99	-54.67
O=C(N[C@H]1CCN(C(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005059478	0	32	-1.0	-51.20	286.62	-2.29	-53.49
CC(C#N)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059479	0	33	-1.0	-53.26	295.36	0.22	-53.04
CCCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059480	0	41	-1.0	-45.27	333.87	1.97	-43.30
O=C(CCC1CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059481	0	39	-1.0	-46.85	328.20	2.39	-44.46
O=C(N[C@H]1CCN(C(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005059482	0	37	-1.0	-47.28	307.34	1.71	-45.57
O=C(CC1CCC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059483	0	39	-1.0	-46.94	322.93	2.13	-44.81
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005059484	0	39	-1.0	-47.07	319.49	1.84	-45.23
CC=C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059485	0	36	-1.0	-51.04	308.27	1.19	-49.85
CC1CC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005059486	0	39	-1.0	-46.72	322.29	1.94	-44.78
O=C(C=C1CCC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059487	0	37	-1.0	-51.55	314.56	2.03	-49.52
CC(C)=C(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059488	0	36	-1.0	-50.46	313.81	1.28	-49.18
O=C(N[C@H]1CCN(C(=O)C2=CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005059489	0	37	-1.0	-47.38	305.32	1.54	-45.84
CC1(C)CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059490	0	39	-1.0	-46.18	322.06	2.02	-44.16
CC1(C)C[C@@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059491	0	39	-1.0	-46.02	322.17	2.00	-44.02
O=C(N[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005059492	0	37	-1.0	-50.24	308.55	0.49	-49.75
CCC(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059493	0	41	-1.0	-46.37	331.55	2.06	-44.31
C#CCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059494	0	37	-1.0	-49.67	324.99	2.14	-47.53
CC(C)(O)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059495	0	39	-1.0	-46.35	320.62	-0.50	-46.85
CC(C)[C@@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059496	0	39	-1.0	-47.07	318.57	-0.74	-47.81
CCC(C)=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059497	0	39	-1.0	-50.05	326.56	2.09	-47.96
CC(C)C#CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059498	0	37	-1.0	-51.47	325.13	2.10	-49.37
O=C(C#CC1CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059499	0	35	-1.0	-51.67	315.35	2.25	-49.42
CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059500	0	32	-1.0	-47.27	276.15	0.08	-47.19
COCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059501	0	36	-1.0	-46.41	309.96	-0.86	-47.27
O=C(N[C@H]1CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005059502	0	33	-1.0	-47.07	286.15	0.80	-46.27
O=C(N[C@H]1CCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005059503	0	36	-1.0	-46.68	301.25	1.30	-45.38
O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005059504	0	39	-1.0	-46.79	315.65	1.75	-45.04
C=CCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059505	0	39	-1.0	-47.27	332.02	2.19	-45.08
CCC(C)(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059506	0	41	-1.0	-46.65	318.24	1.18	-45.47
NC(=O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059507	0	30	-1.0	-46.88	267.86	-4.61	-51.49
CC1CC1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059508	0	39	-1.0	-47.16	326.43	2.25	-44.91
CCC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059509	0	39	-1.0	-46.82	326.01	1.87	-44.95
CC(C)(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059510	0	38	-1.0	-46.60	304.43	0.72	-45.88
C=C(C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059511	0	39	-1.0	-46.24	332.24	2.07	-44.17
O=C(N[C@H]1CCN(C(=O)C2(CF)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059512	0	36	-1.0	-45.86	309.60	1.25	-44.61
CC(C)C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059513	0	41	-1.0	-46.07	324.30	1.59	-44.48
CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059514	0	39	-1.0	-46.93	328.92	2.25	-44.68
O=C(N[C@H]1CCN(C(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005059515	0	37	-1.0	-47.26	318.59	2.26	-45.00
O=C(N[C@H]1CCN(C(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005059516	0	37	-1.0	-50.57	308.54	0.48	-50.09
CC1(CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059517	0	39	-1.0	-46.51	327.21	2.08	-44.43
CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059518	0	36	-1.0	-47.13	303.77	1.14	-45.99
O=C(N[C@H]1CCN(C(=O)C2=CNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005059519	0	34	-1.0	-58.73	292.90	-0.20	-58.93
O=C(N[C@H]1CCN(C(=O)C2=CN=CO2)C1)C1=CC(=O)[N-]O1	REAL250005059520	0	32	-1.0	-51.78	287.76	-2.95	-54.73
C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059521	0	39	-1.0	-46.20	313.24	1.15	-45.05
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059522	0	36	-1.0	-46.93	305.96	1.46	-45.47
CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005059523	0	39	-1.0	-46.63	315.53	1.44	-45.19
CCC(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059524	0	35	-1.0	-47.39	302.61	0.80	-46.59
O=C(CCCF)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059525	0	35	-1.0	-49.56	304.30	0.98	-48.58
C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059526	0	36	-1.0	-46.68	306.96	1.46	-45.22
CC(C)C(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059527	0	38	-1.0	-47.60	321.90	1.26	-46.34
O=C(N[C@H]1CCN(C(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005059528	0	32	-1.0	-48.75	285.19	-2.39	-51.14
O=C(CO)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059529	0	30	-1.0	-57.13	266.79	-2.83	-59.96
NC(=O)C=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059530	0	34	-1.0	-51.79	304.27	-3.31	-55.10
COC(=O)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059531	0	35	-1.0	-54.71	308.10	1.06	-53.65
CSC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059532	0	34	-1.0	-50.34	310.92	0.94	-49.40
NC(=O)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059533	0	36	-1.0	-48.72	312.79	-3.11	-51.83
O=C(N[C@H]1CCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005059534	0	34	-1.0	-51.28	292.03	-0.42	-51.70
O=C(N[C@H]1CCN(C(=O)C2(Cl)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059535	0	33	-1.0	-43.69	296.21	1.03	-42.66
O=C(N[C@H]1CCN(C(=O)C2=CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005059536	0	35	-1.0	-49.42	300.99	0.07	-49.35
O=C(N[C@H]1CCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005059537	0	34	-1.0	-49.97	293.38	-1.44	-51.41
O=C(C=CCO)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059538	0	34	-1.0	-54.89	300.08	-2.73	-57.62
CC=CC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059539	0	37	-1.0	-47.11	317.15	-0.87	-47.98
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059540	0	41	0.0	-68.97	326.75	1.04	-67.93
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059540	1	40	-1.0	-47.32	319.36	-1.42	-48.74
CCC=C(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059541	0	36	-1.0	-47.18	311.77	1.32	-45.86
CCC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059542	0	36	-1.0	-51.29	310.07	1.39	-49.90
[N-]=[N+]=NCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059543	0	34	-1.0	-45.90	306.42	-3.32	-49.22
C#CCOCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059544	0	35	-1.0	-58.25	316.65	0.95	-57.30
CC(O)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059545	0	39	-1.0	-47.96	328.44	-1.68	-49.64
C#CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059546	0	34	-1.0	-46.78	303.57	1.34	-45.44
CC=CC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059547	0	37	-1.0	-51.41	324.13	2.07	-49.34
COCC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059548	0	37	-1.0	-53.46	322.34	-0.33	-53.79
CCC(C)(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059549	0	39	-1.0	-44.59	316.77	-1.80	-46.39
C#CCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059550	0	37	-1.0	-46.20	320.29	1.72	-44.48
C=CC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059551	0	34	-1.0	-47.39	292.24	-1.54	-48.93
O=C(N[C@H]1CCN(C(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005059552	0	37	-1.0	-47.21	310.93	1.89	-45.32
C=C[C@H](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059553	0	39	-1.0	-46.42	326.01	1.93	-44.49
O=C(C=CC1CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059554	0	37	-1.0	-51.20	320.96	2.22	-48.98
CCC(C#N)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059555	0	36	-1.0	-47.28	312.74	0.71	-46.57
O=C(N[C@H]1CCN(C(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005059556	0	37	-1.0	-46.69	312.94	2.16	-44.53
C=C1CCC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059557	0	37	-1.0	-46.02	314.29	1.78	-44.24
C[C@H]1C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005059558	0	39	-1.0	-46.79	322.47	1.99	-44.80
CC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059559	0	41	0.0	-70.31	328.32	1.40	-68.91
CC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059559	1	41	0.0	-70.15	328.40	1.40	-68.75
CCN(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059559	1	40	-1.0	-47.33	326.48	-0.87	-48.20
CC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059560	0	33	-1.0	-47.90	282.33	-2.26	-50.16
CC(=O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059561	0	31	-1.0	-46.71	275.38	-0.84	-47.55
N#CCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059562	0	36	-1.0	-55.51	317.44	1.34	-54.17
N#CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059563	0	34	-1.0	-46.24	301.40	0.73	-45.51
C=C1CC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005059564	0	37	-1.0	-46.33	314.85	1.81	-44.52
O=C(N[C@H]1CCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059565	0	33	-1.0	-44.76	288.55	0.74	-44.02
COC(C)(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059566	0	39	-1.0	-50.12	309.99	0.02	-50.10
CC(CC#N)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059567	0	36	-1.0	-47.61	313.86	0.90	-46.71
CCC1CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059568	0	39	-1.0	-46.29	321.95	2.21	-44.08
C=CC(C)(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059569	0	37	-1.0	-45.64	311.06	-1.64	-47.28
CCCC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059570	0	39	-1.0	-51.08	331.57	2.17	-48.91
CC=C(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059571	0	33	-1.0	-47.22	290.71	0.63	-46.59
C[C@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059572	0	41	0.0	-68.90	326.81	1.03	-67.87
C[C@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059572	1	40	-1.0	-47.53	324.57	-1.29	-48.82
CCOC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059573	0	37	-1.0	-50.05	320.86	0.27	-49.78
CC(=O)OCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059574	0	35	-1.0	-53.74	312.39	1.04	-52.70
CC(=O)C=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059575	0	35	-1.0	-50.66	312.38	0.54	-50.12
O=C(COC1CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059576	0	37	-1.0	-50.88	320.06	1.20	-49.68
O=C(N[C@H]1CCN(C(=O)C2=NC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005059577	0	33	-1.0	-50.50	291.51	-0.58	-51.08
CC(CO)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059578	0	36	-1.0	-46.32	305.30	-2.78	-49.10
O=C(N[C@H]1CCN(C(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005059579	0	32	-1.0	-50.89	283.81	-0.57	-51.46
O=C(CCCCO)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059580	0	39	-1.0	-48.11	329.53	-1.75	-49.86
O=C(N[C@H]1CCN(C(=O)C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005059581	0	35	-1.0	-47.02	306.58	0.73	-46.29
O=C(CC1(O)CC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059582	0	37	-1.0	-50.91	318.06	-1.92	-52.83
O=C(N[C@H]1CCN(C(=O)C2CCC2F)C1)C1=CC(=O)[N-]O1	REAL250005059583	0	36	-1.0	-47.47	309.57	1.42	-46.05
O=C(N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CF)C1)C1=CC(=O)[N-]O1	REAL250005059584	0	36	-1.0	-49.50	314.11	1.61	-47.89
CCC(CO)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059585	0	39	-1.0	-50.41	320.00	-2.07	-52.48
N#C[C@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059586	0	34	-1.0	-57.60	303.17	1.10	-56.50
O=C(N[C@H]1CCN(C(=O)C2=COCC2)C1)C1=CC(=O)[N-]O1	REAL250005059587	0	35	-1.0	-47.48	295.15	-0.51	-47.99
O=C(N[C@H]1CCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059588	0	34	-1.0	-45.49	297.17	-2.69	-48.18
O=C(N[C@H]1CCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005059589	0	34	-1.0	-47.96	290.95	1.12	-46.84
CC(CF)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059590	0	35	-1.0	-45.05	301.08	0.67	-44.38
CC(Cl)=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059591	0	33	-1.0	-52.74	301.26	1.15	-51.59
CC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059592	0	33	-1.0	-51.54	288.98	0.64	-50.90
CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005059593	0	36	-1.0	-44.89	305.41	1.13	-43.76
O=C(C=CCF)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059594	0	33	-1.0	-53.37	295.16	0.75	-52.62
O=C(N[C@H]1CCN(C(=O)C2(CO)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059595	0	37	-1.0	-50.98	316.51	-2.16	-53.14
O=C(N[C@H]1CCN(C(=O)C2=CC=NO2)C1)C1=CC(=O)[N-]O1	REAL250005059596	0	32	-1.0	-48.17	286.51	-0.34	-48.51
C[C@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059598	0	33	-1.0	-47.74	281.34	-2.31	-50.05
CON=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059599	0	33	-1.0	-52.95	297.88	-1.42	-54.37
CC(C)[C@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059600	0	39	-1.0	-47.02	317.54	-0.79	-47.81
C#CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059601	0	35	-1.0	-46.17	306.48	1.51	-44.66
C=CC=CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059602	0	37	-1.0	-47.59	323.27	2.01	-45.58
C#C[C@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059603	0	35	-1.0	-49.59	309.14	1.96	-47.63
CC=C(CC)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059604	0	39	-1.0	-46.61	329.49	1.90	-44.71
COC(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059605	0	33	-1.0	-54.70	293.55	-1.18	-55.88
COCC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059606	0	37	-1.0	-47.89	314.77	-3.02	-50.91
N#C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059607	0	34	-1.0	-48.84	305.70	1.21	-47.63
O=C(N[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005059608	0	37	-1.0	-50.67	314.23	-2.07	-52.74
O=C(COCCO)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059609	0	37	-1.0	-58.78	322.24	-2.72	-61.50
CC(C)(CF)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059610	0	38	-1.0	-45.20	308.97	0.79	-44.41
CC(C)(CO)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059611	0	39	-1.0	-46.28	313.41	-2.48	-48.76
C=CCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059612	0	39	-1.0	-45.64	326.55	1.75	-43.89
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059613	0	36	-1.0	-46.93	305.96	1.46	-45.47
CC(C)(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059614	0	36	-1.0	-45.35	300.86	-2.40	-47.75
O=C(N[C@H]1CCN(C(=O)C2=NOCC2)C1)C1=CC(=O)[N-]O1	REAL250005059615	0	34	-1.0	-47.72	297.31	-0.99	-48.71
CC(C#N)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059616	0	36	-1.0	-47.74	313.73	1.10	-46.64
CC(CCO)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059617	0	39	-1.0	-50.54	319.73	-2.32	-52.86
O=C(N[C@H]1CCN(C(=O)[C@H](O)CF)C1)C1=CC(=O)[N-]O1	REAL250005059618	0	33	-1.0	-47.16	288.06	-2.13	-49.29
O=C(N[C@H]1CCN(C(=O)C2(O)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005059619	0	37	-1.0	-45.53	308.84	-1.87	-47.40
O=C(N[C@H]1CCN(C(=O)C(O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005059620	0	37	-1.0	-46.86	309.77	-0.50	-47.36
C=C(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059621	0	36	-1.0	-47.04	310.42	1.26	-45.78
CC(C)(C#N)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059622	0	36	-1.0	-46.01	305.90	0.30	-45.71
CCSCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059623	0	36	-1.0	-54.07	320.81	1.40	-52.67
CC(C)=C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059624	0	39	-1.0	-47.05	324.42	1.89	-45.16
CNC(=O)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059625	0	36	-1.0	-58.53	311.19	-0.89	-59.42
O=C(N[C@H]1CCN(C(=O)C2CC(F)C2)C1)C1=CC(=O)[N-]O1	REAL250005059626	0	36	-1.0	-46.01	308.04	1.39	-44.62
C=CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059627	0	33	-1.0	-47.27	289.07	0.62	-46.65
C[NH+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059628	0	38	0.0	-70.93	311.77	0.76	-70.17
CN(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059628	1	37	-1.0	-47.23	308.60	-1.65	-48.88
N#CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059629	0	30	-1.0	-60.77	275.78	-0.27	-61.04
O=C(N[C@H]1CCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005059630	0	33	-1.0	-45.40	292.81	0.90	-44.50
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059631	0	41	0.0	-68.97	326.75	1.04	-67.93
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059631	1	40	-1.0	-47.32	319.36	-1.42	-48.74
O=C(CCF)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059632	0	32	-1.0	-45.95	282.88	0.21	-45.74
O=C(N[C@H]1CCN(C(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005059633	0	37	-1.0	-46.20	306.17	1.63	-44.57
C#CC(C)(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059634	0	37	-1.0	-49.04	310.25	1.13	-47.91
CO[C@H](C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059635	0	36	-1.0	-49.83	303.99	-0.06	-49.89
CC(=O)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059636	0	37	-1.0	-47.04	319.68	0.73	-46.31
C[C@@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059637	0	33	-1.0	-46.75	281.83	-2.25	-49.00
O=C(CN1CCC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059638	0	38	-1.0	-48.38	316.46	-2.05	-50.43
O=C(C[NH+]1CCC1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059638	1	39	0.0	-70.87	320.86	1.22	-69.65
CC(O)C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059639	0	39	-1.0	-50.37	324.37	-2.11	-52.48
C=C1CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059640	0	34	-1.0	-46.63	299.08	1.37	-45.26
COC(OC)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059641	0	37	-1.0	-49.00	310.47	-0.85	-49.85
CC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005059642	0	37	-1.0	-46.67	307.62	-1.19	-47.86
O=C(N[C@H]1CCN(C(=O)C2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005059643	0	34	-1.0	-54.53	300.54	-3.64	-58.17
O=C(N[C@H]1CCN(C(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005059644	0	34	-1.0	-54.29	301.07	-3.27	-57.56
CCC[C@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059645	0	39	-1.0	-47.14	323.41	-0.72	-47.86
O=C(N[C@H]1CCN(C(=O)C2(F)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005059646	0	36	-1.0	-44.75	305.12	1.28	-43.47
O=C(N[C@H]1CCN(C(=O)C2=CNC=N2)C1)C1=CC(=O)[N-]O1	REAL250005059647	0	33	-1.0	-53.65	290.49	0.36	-53.29
O=C(N[C@H]1CCN(C(=O)C2=CN=CN2)C1)C1=CC(=O)[N-]O1	REAL250005059647	1	33	-1.0	-54.92	288.06	-0.00	-54.92
O=C(N[C@H]1CCN(C(=O)C2CC(=O)C2)C1)C1=CC(=O)[N-]O1	REAL250005059648	0	35	-1.0	-48.78	304.15	0.38	-48.40
O=C(N[C@H]1CCN(C(=O)C2(O)COC2)C1)C1=CC(=O)[N-]O1	REAL250005059649	0	35	-1.0	-45.84	299.95	-4.04	-49.88
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005059650	0	37	-1.0	-46.83	323.12	2.14	-44.69
CC1=CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059651	0	34	-1.0	-47.56	299.46	1.49	-46.07
CN(C)C(=O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059652	0	36	-1.0	-46.55	305.09	-1.12	-47.67
CCCC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059653	0	39	-1.0	-47.15	323.41	-0.72	-47.87
CCC(O)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059654	0	39	-1.0	-50.50	328.33	-0.77	-51.27
O=C(CCCCF)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059655	0	38	-1.0	-47.33	324.69	1.73	-45.60
O=C(N[C@H]1CCN(C(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005059656	0	34	-1.0	-54.32	299.28	-3.34	-57.66
COC1(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059657	0	37	-1.0	-45.59	318.52	-0.34	-45.93
O=C(N[C@H]1CCN(C(=O)C2CSC2)C1)C1=CC(=O)[N-]O1	REAL250005059658	0	34	-1.0	-46.52	301.32	0.94	-45.58
C=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059659	0	30	-1.0	-52.05	266.29	-0.25	-52.30
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005059660	0	34	-1.0	-59.51	297.71	-3.74	-63.25
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005059661	0	36	-1.0	-54.08	306.69	1.30	-52.78
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005059662	0	32	-1.0	-48.97	287.35	-0.36	-49.33
CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059663	0	32	-1.0	-51.25	273.31	-0.08	-51.33
COCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059664	0	36	-1.0	-50.84	307.06	-1.03	-51.87
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005059665	0	33	-1.0	-50.67	283.78	0.69	-49.98
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005059666	0	36	-1.0	-49.02	299.10	1.18	-47.84
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC1	REAL250005059667	0	39	-1.0	-50.85	317.72	1.77	-49.08
O=C(CC1CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059668	0	36	-1.0	-49.32	303.23	1.48	-47.84
CC(C)(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059669	0	35	-1.0	-46.76	299.28	0.57	-46.19
CC(F)(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059670	0	32	-1.0	-47.08	285.11	0.10	-46.98
COCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059671	0	33	-1.0	-54.31	285.99	-0.73	-55.04
CCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059672	0	35	-1.0	-49.31	293.90	0.69	-48.62
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CO1	REAL250005059673	0	33	-1.0	-50.87	293.04	0.20	-50.67
CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059674	0	36	-1.0	-52.20	312.00	-2.41	-54.61
CC(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059675	0	38	-1.0	-50.79	311.61	1.24	-49.55
CC1CC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059676	0	36	-1.0	-49.08	304.31	1.37	-47.71
CCOCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059677	0	36	-1.0	-52.49	306.94	0.25	-52.24
CC(C)=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059678	0	36	-1.0	-49.94	302.73	1.23	-48.71
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCO1	REAL250005059679	0	37	-1.0	-53.09	308.53	0.52	-52.57
CSCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059680	0	33	-1.0	-53.58	296.33	0.34	-53.24
CSCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059681	0	36	-1.0	-50.30	318.12	1.13	-49.17
CC(C)CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059682	0	41	-1.0	-51.10	333.95	1.95	-49.15
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN1	REAL250005059683	0	34	-1.0	-51.54	294.80	0.03	-51.51
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=C1	REAL250005059684	0	33	-1.0	-54.60	292.07	0.18	-54.42
CCCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059685	0	41	-1.0	-50.92	337.76	2.24	-48.68
CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059686	0	41	-1.0	-47.90	325.49	1.82	-46.08
CCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059687	0	38	-1.0	-51.02	316.26	1.46	-49.56
CC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059688	0	35	-1.0	-48.97	292.01	0.58	-48.39
CCC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059689	0	38	-1.0	-48.96	310.09	1.23	-47.73
CCC(CC)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059690	0	41	-1.0	-49.06	326.73	1.69	-47.37
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NN1	REAL250005059691	0	33	-1.0	-51.24	290.47	-1.32	-52.56
CSC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059692	0	36	-1.0	-50.95	313.92	0.93	-50.02
CCOC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059693	0	39	-1.0	-52.09	326.66	0.96	-51.13
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNN=C1	REAL250005059694	0	33	-1.0	-51.35	289.90	-1.31	-52.66
COCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059695	0	39	-1.0	-54.17	328.56	-0.27	-54.44
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOC=C1	REAL250005059696	0	32	-1.0	-50.07	286.52	-0.51	-50.58
CCC=C(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059697	0	39	-1.0	-48.84	320.99	2.02	-46.82
COC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059698	0	36	-1.0	-52.08	304.81	0.01	-52.07
CC(C)OCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059699	0	39	-1.0	-52.40	327.21	0.98	-51.42
CCCOCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059700	0	39	-1.0	-52.25	328.44	1.06	-51.19
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCOC1	REAL250005059701	0	37	-1.0	-49.01	306.23	-0.81	-49.82
CCC(OC)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059702	0	39	-1.0	-52.05	321.47	0.69	-51.36
COC(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059703	0	39	-1.0	-51.97	326.08	0.50	-51.47
C=CCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059704	0	36	-1.0	-50.88	307.56	1.24	-49.64
CCOCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059705	0	39	-1.0	-50.66	328.91	-0.07	-50.73
COCC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059706	0	39	-1.0	-48.65	324.75	-0.28	-48.93
C=CCOCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059707	0	37	-1.0	-52.82	319.84	0.83	-51.99
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC=N1	REAL250005059708	0	32	-1.0	-50.89	287.80	-3.20	-54.09
CCCC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059709	0	41	-1.0	-49.01	331.59	1.98	-47.03
O=C(CCC1CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059710	0	39	-1.0	-49.39	325.52	2.24	-47.15
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC=CC1	REAL250005059711	0	37	-1.0	-49.01	307.96	1.68	-47.33
O=C(CC1CCC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059712	0	39	-1.0	-49.55	320.20	1.98	-47.57
CC(C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005059713	0	39	-1.0	-48.81	321.91	2.09	-46.72
CC=C(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059714	0	36	-1.0	-51.11	301.70	1.18	-49.93
CC1CC(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005059715	0	39	-1.0	-48.82	318.91	1.80	-47.02
O=C(C=C1CCC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059716	0	37	-1.0	-49.35	311.53	1.94	-47.41
CC(C)=C(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059717	0	36	-1.0	-46.87	307.40	1.29	-45.58
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCC1	REAL250005059718	0	37	-1.0	-48.90	308.95	1.81	-47.09
CC1(C)CC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059719	0	39	-1.0	-48.15	319.42	1.93	-46.22
CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059720	0	39	-1.0	-49.99	320.37	1.91	-48.08
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCCO1	REAL250005059721	0	37	-1.0	-53.10	308.62	0.46	-52.64
CCC(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059722	0	41	-1.0	-50.55	329.72	1.93	-48.62
C#CCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059723	0	37	-1.0	-53.99	322.04	1.98	-52.01
CC(C)(O)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059724	0	39	-1.0	-54.30	320.37	-1.02	-55.32
CC(C)[C@@H](O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059725	0	39	-1.0	-50.94	320.52	-0.68	-51.62
CCC(C)=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059726	0	39	-1.0	-47.99	323.30	2.00	-45.99
CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059727	0	37	-1.0	-50.50	322.65	1.94	-48.56
O=C(C#CC1CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059728	0	35	-1.0	-50.83	312.32	2.11	-48.72
C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059729	0	39	-1.0	-48.98	328.35	1.93	-47.05
CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059730	0	36	-1.0	-50.41	301.53	1.29	-49.12
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CCCO1	REAL250005059731	0	37	-1.0	-54.60	309.28	0.48	-54.12
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNN=C1	REAL250005059732	0	32	-1.0	-48.55	285.34	-2.73	-51.28
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=NN1	REAL250005059732	1	32	-1.0	-52.19	285.27	-2.70	-54.89
CC1(CC(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059733	0	39	-1.0	-50.70	324.19	1.95	-48.75
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CO1	REAL250005059734	0	32	-1.0	-51.63	287.80	-3.09	-54.72
C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059735	0	39	-1.0	-51.22	320.58	1.52	-49.70
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059736	0	36	-1.0	-48.77	304.20	1.38	-47.39
CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005059737	0	39	-1.0	-50.55	317.19	1.71	-48.84
CCC(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059738	0	35	-1.0	-49.28	300.19	0.73	-48.55
O=C(CCCF)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059739	0	35	-1.0	-54.26	301.47	0.80	-53.46
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059740	0	36	-1.0	-48.83	304.19	1.38	-47.45
CC(C)C(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059741	0	38	-1.0	-50.33	315.54	1.31	-49.02
C=CCCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059742	0	39	-1.0	-51.68	329.19	2.00	-49.68
CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059743	0	41	-1.0	-50.79	325.97	1.64	-49.15
NC(=O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059744	0	30	-1.0	-48.13	268.60	-4.76	-52.89
CC1CC1CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059745	0	39	-1.0	-49.49	324.68	2.15	-47.34
CCC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059746	0	39	-1.0	-50.69	325.49	1.88	-48.81
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CF)CC1	REAL250005059747	0	36	-1.0	-48.16	305.39	1.37	-46.79
CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059748	0	38	-1.0	-48.94	310.88	1.15	-47.79
CC(C)C(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059749	0	41	-1.0	-48.19	325.88	1.81	-46.38
CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059750	0	39	-1.0	-50.67	326.61	2.11	-48.56
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC12CC2	REAL250005059751	0	37	-1.0	-49.14	315.26	2.18	-46.96
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CC(=O)N1	REAL250005059752	0	34	-1.0	-58.92	298.20	-3.41	-62.33
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H]1CC(=O)N1	REAL250005059753	0	34	-1.0	-59.34	298.20	-3.39	-62.73
COC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059754	0	37	-1.0	-48.57	308.53	-0.51	-49.08
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CSC1	REAL250005059755	0	34	-1.0	-51.03	299.87	0.84	-50.19
C=CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059756	0	33	-1.0	-51.29	286.17	0.46	-50.83
C[NH+](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059757	0	38	0.0	-75.05	308.97	0.61	-74.44
CN(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059757	1	37	-1.0	-49.67	305.79	-1.73	-51.40
C=CC(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059758	0	34	-1.0	-51.28	294.73	-1.52	-52.80
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005059759	0	34	-1.0	-51.53	290.68	-1.58	-53.11
CO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059760	0	36	-1.0	-54.21	305.77	-0.03	-54.24
CC=CC(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059761	0	37	-1.0	-50.77	316.32	-0.64	-51.41
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059762	0	41	0.0	-70.29	325.77	1.08	-69.21
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059762	1	40	-1.0	-49.46	318.26	-1.31	-50.77
CCC=C(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059763	0	36	-1.0	-47.45	312.24	1.31	-46.14
CCC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059764	0	36	-1.0	-50.97	308.06	1.25	-49.72
CC(C)(CO)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059766	0	39	-1.0	-50.42	321.09	-2.06	-52.48
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CCC1	REAL250005059767	0	36	-1.0	-48.47	306.36	1.22	-47.25
O=C(CO)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059768	0	30	-1.0	-56.00	263.74	-3.01	-59.01
NC(=O)C=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059769	0	34	-1.0	-52.56	303.23	-3.45	-56.01
CC(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059770	0	33	-1.0	-49.57	283.09	-2.22	-51.79
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CCC1	REAL250005059771	0	37	-1.0	-50.36	308.08	-1.85	-52.21
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(O)C1CC1	REAL250005059772	0	37	-1.0	-48.96	315.15	-0.65	-49.61
C=CCC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059773	0	39	-1.0	-48.82	324.54	1.84	-46.98
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005059774	0	33	-1.0	-50.47	290.68	0.76	-49.71
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059775	0	41	0.0	-70.29	325.77	1.08	-69.21
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059775	1	40	-1.0	-49.46	318.26	-1.31	-50.77
O=C(CCF)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059776	0	32	-1.0	-50.18	279.84	0.06	-50.12
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)COC1	REAL250005059777	0	35	-1.0	-51.92	298.83	-4.10	-56.02
CC(C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005059778	0	37	-1.0	-51.35	316.04	2.15	-49.20
CCC1CC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059779	0	39	-1.0	-48.69	320.22	2.15	-46.54
O=C(CC1(O)CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059780	0	37	-1.0	-55.53	315.13	-2.06	-57.59
O=C(C=CCF)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059781	0	33	-1.0	-51.34	292.06	0.67	-50.67
C#CCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059782	0	34	-1.0	-51.20	300.66	1.17	-50.03
O=C(CN1CCC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059783	0	38	-1.0	-52.69	314.62	-2.16	-54.85
O=C(C[NH+]1CCC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059783	1	39	0.0	-72.72	317.90	1.12	-71.60
C#C[C@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059784	0	35	-1.0	-54.14	306.76	1.83	-52.31
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C2CCC21	REAL250005059785	0	37	-1.0	-50.58	311.13	2.06	-48.52
C=C1CCC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059786	0	37	-1.0	-48.72	312.65	1.69	-47.03
C[C@H]1C(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005059787	0	39	-1.0	-48.92	320.78	1.91	-47.01
C[C@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059788	0	41	0.0	-71.78	326.01	1.09	-70.69
C[C@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059788	1	40	-1.0	-51.21	318.58	-1.43	-52.64
CC=CC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059789	0	37	-1.0	-49.05	321.03	1.99	-47.06
COCC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059790	0	37	-1.0	-51.24	319.22	-0.41	-51.65
CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005059791	0	37	-1.0	-49.27	308.10	-0.98	-50.25
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005059792	0	34	-1.0	-53.87	290.89	-0.44	-54.31
[N-]=[N+]=NCCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059793	0	34	-1.0	-50.63	303.52	-3.50	-54.13
C#CCOCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059794	0	35	-1.0	-57.34	313.63	0.76	-56.58
CC(C)(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059795	0	36	-1.0	-48.90	303.73	-2.66	-51.56
CC1=CC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059796	0	34	-1.0	-51.04	298.79	1.40	-49.64
CN(C)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059797	0	36	-1.0	-47.67	306.09	-1.27	-48.94
CSC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059798	0	34	-1.0	-50.02	308.89	0.82	-49.20
CCC(C)(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059799	0	39	-1.0	-47.76	319.47	-1.98	-49.74
CC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059800	0	41	0.0	-74.35	326.58	1.30	-73.05
CC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059800	1	41	0.0	-72.60	325.68	1.33	-71.27
CCN(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059800	1	40	-1.0	-51.60	324.78	-0.98	-52.58
C=C1CC(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005059801	0	37	-1.0	-50.38	313.54	1.70	-48.68
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1F	REAL250005059802	0	36	-1.0	-54.02	305.73	1.25	-52.77
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=CN1	REAL250005059803	0	33	-1.0	-53.00	289.62	-0.23	-53.23
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(Cl)CC1	REAL250005059804	0	33	-1.0	-46.13	298.13	1.25	-44.88
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCCO1	REAL250005059805	0	35	-1.0	-48.13	300.39	-0.17	-48.30
CCC[C@H](O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059806	0	39	-1.0	-49.96	325.20	-0.60	-50.56
CC(C)[C@H](O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059807	0	39	-1.0	-49.52	319.99	-0.65	-50.17
CCOC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059808	0	37	-1.0	-50.15	320.02	0.12	-50.03
C[C@@H](O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059809	0	33	-1.0	-49.53	283.10	-2.21	-51.74
O=C(CCCCF)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059810	0	38	-1.0	-51.41	322.85	1.60	-49.81
O=C(C=CCO)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059811	0	34	-1.0	-52.89	297.09	-2.81	-55.70
COC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059812	0	39	-1.0	-54.71	317.89	0.42	-54.29
O=C(CCCCO)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059813	0	39	-1.0	-52.40	327.80	-1.90	-54.30
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CO)CC1	REAL250005059814	0	37	-1.0	-52.76	316.56	-2.15	-54.91
COC(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059815	0	33	-1.0	-54.16	291.88	-1.25	-55.41
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC1CC2	REAL250005059816	0	37	-1.0	-50.73	312.23	1.89	-48.84
C=C[C@H](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059817	0	39	-1.0	-50.45	324.27	1.80	-48.65
O=C(C=CC1CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059818	0	37	-1.0	-48.83	317.84	2.13	-46.70
CC=C(CC)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059819	0	39	-1.0	-50.29	322.60	1.90	-48.39
C=CC(C)(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059820	0	37	-1.0	-47.41	312.96	-1.91	-49.32
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005059821	0	34	-1.0	-49.59	292.84	1.22	-48.37
CON=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059822	0	33	-1.0	-53.63	295.72	-1.51	-55.14
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005059823	0	33	-1.0	-46.38	288.94	0.76	-45.62
O=C(COCCO)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059824	0	37	-1.0	-57.49	319.22	-2.90	-60.39
CC(C)(CF)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059825	0	38	-1.0	-49.28	316.69	1.22	-48.06
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NOCC1	REAL250005059826	0	34	-1.0	-48.27	297.34	-1.24	-49.51
COCC(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059827	0	37	-1.0	-50.00	316.55	-2.90	-52.90
C#CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059828	0	37	-1.0	-53.28	317.51	1.58	-51.70
O=C(COC1CC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059829	0	37	-1.0	-55.40	318.21	1.01	-54.39
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC=CN1	REAL250005059830	0	33	-1.0	-50.12	290.86	-1.03	-51.15
CCCC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059831	0	39	-1.0	-49.09	328.57	2.09	-47.00
CC=C(F)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059832	0	33	-1.0	-47.67	291.93	0.57	-47.10
CCC(CO)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059833	0	39	-1.0	-49.13	319.72	-1.96	-51.09
CC(CO)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059834	0	36	-1.0	-49.04	302.52	-2.69	-51.73
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CON=C1	REAL250005059835	0	32	-1.0	-54.93	286.78	-0.34	-55.27
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1C[C@H]1CF	REAL250005059836	0	36	-1.0	-51.33	310.77	1.51	-49.82
C#CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059837	0	35	-1.0	-49.28	309.52	1.75	-47.53
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COCC1	REAL250005059838	0	35	-1.0	-50.98	299.96	-0.24	-51.22
C[C@H](O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059839	0	33	-1.0	-50.23	283.10	-2.21	-52.44
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C=CCC1	REAL250005059840	0	37	-1.0	-50.22	308.90	1.71	-48.51
CC(O)C(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059841	0	39	-1.0	-51.82	316.61	-0.99	-52.81
C=C1CC1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059842	0	34	-1.0	-48.88	296.38	1.28	-47.60
CC(CF)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059843	0	35	-1.0	-48.23	297.74	0.72	-47.51
C=C(C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059844	0	36	-1.0	-51.05	307.84	1.11	-49.94
CCSCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059845	0	36	-1.0	-51.54	316.89	1.25	-50.29
CC(C)=C(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059846	0	39	-1.0	-49.91	317.56	1.94	-47.97
CCCC(O)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059847	0	39	-1.0	-49.29	325.18	-0.60	-49.89
CCC(O)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059848	0	39	-1.0	-52.60	324.54	-0.93	-53.53
CC(Cl)=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059849	0	33	-1.0	-52.65	299.24	1.01	-51.64
CC=CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059850	0	33	-1.0	-51.07	286.96	0.49	-50.58
CC1(C(=O)N[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005059851	0	36	-1.0	-52.71	305.31	1.41	-51.30
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005059852	0	37	-1.0	-54.59	311.40	-2.21	-56.80
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059853	0	36	-1.0	-48.77	304.20	1.38	-47.39
CNC(=O)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059854	0	36	-1.0	-63.67	309.40	-1.05	-64.72
C=CC=CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059855	0	37	-1.0	-51.97	321.47	1.88	-50.09
NC(=O)CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059856	0	36	-1.0	-52.31	310.93	-3.25	-55.56
CC(O)CCC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059857	0	39	-1.0	-50.73	326.55	-1.82	-52.55
C#CCC(C)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059858	0	37	-1.0	-49.11	317.55	1.77	-47.34
CC(CCO)C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059859	0	39	-1.0	-52.76	321.49	-2.11	-54.87
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005059860	0	33	-1.0	-50.51	289.50	-2.05	-52.56
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005059861	0	34	-1.0	-50.27	292.10	-2.40	-52.67
O=C(CC1CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059862	0	36	-1.0	-47.03	307.24	1.60	-45.43
CC(C)(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059863	0	35	-1.0	-45.08	295.14	0.44	-44.64
CC(F)(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059864	0	32	-1.0	-43.70	284.66	0.07	-43.63
COCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059865	0	33	-1.0	-55.12	288.07	-0.53	-55.65
CCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059866	0	35	-1.0	-46.76	297.80	0.82	-45.94
O=C(N[C@@H]1CCN(C(=O)C2=CC=CO2)C1)C1=CC(=O)[N-]O1	REAL250005059867	0	33	-1.0	-50.82	291.86	0.41	-50.41
CC(=O)NCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059868	0	36	-1.0	-48.34	314.98	-2.30	-50.64
CC(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059869	0	38	-1.0	-46.38	313.29	1.39	-44.99
CC1CC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059870	0	36	-1.0	-46.67	307.65	1.45	-45.22
CCOCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059871	0	36	-1.0	-55.19	309.92	0.43	-54.76
CC(C)=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059872	0	36	-1.0	-50.49	305.12	1.33	-49.16
O=C(N[C@@H]1CCN(C(=O)C2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005059873	0	37	-1.0	-50.89	309.28	0.53	-50.36
CSCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059874	0	33	-1.0	-54.13	298.41	0.51	-53.62
CSCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059875	0	36	-1.0	-45.96	321.04	1.30	-44.66
CC(C)CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059876	0	41	-1.0	-46.61	336.87	2.11	-44.50
O=C(N[C@@H]1CCN(C(=O)C2=CC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005059877	0	34	-1.0	-53.87	292.92	0.31	-53.56
O=C(N[C@@H]1CCN(C(=O)C2=COC=C2)C1)C1=CC(=O)[N-]O1	REAL250005059878	0	33	-1.0	-55.72	289.06	-0.01	-55.73
CCCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059879	0	41	-1.0	-46.66	340.80	2.39	-44.27
CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059880	0	41	-1.0	-45.75	329.37	1.96	-43.79
CCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059881	0	38	-1.0	-46.91	318.03	1.60	-45.31
CC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059882	0	35	-1.0	-46.61	290.28	0.40	-46.21
CCC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059883	0	38	-1.0	-46.77	308.31	1.05	-45.72
CCC(CC)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059884	0	41	-1.0	-46.85	326.81	1.67	-45.18
O=C(N[C@@H]1CCN(C(=O)C2=NNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005059885	0	33	-1.0	-52.89	290.46	-0.99	-53.88
O=C(N[C@@H]1CCN(C(=O)C2=CC=NN2)C1)C1=CC(=O)[N-]O1	REAL250005059885	1	33	-1.0	-51.27	288.11	-1.18	-52.45
CSC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059886	0	36	-1.0	-49.15	315.31	1.00	-48.15
CCOC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059887	0	39	-1.0	-50.06	325.70	0.91	-49.15
O=C(N[C@@H]1CCN(C(=O)C2=CNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005059888	0	33	-1.0	-53.02	287.58	-1.65	-54.67
COCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059889	0	39	-1.0	-49.36	331.48	-0.10	-49.46
O=C(N[C@@H]1CCN(C(=O)C2=NOC=C2)C1)C1=CC(=O)[N-]O1	REAL250005059890	0	32	-1.0	-50.65	286.38	-0.18	-50.83
CCC=C(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059891	0	39	-1.0	-47.18	316.78	1.58	-45.60
COC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059892	0	36	-1.0	-49.97	302.94	-0.09	-50.06
CC(C)OCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059893	0	39	-1.0	-49.80	331.13	1.15	-48.65
CCCOCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059894	0	39	-1.0	-54.98	331.42	1.24	-53.74
O=C(N[C@@H]1CCN(C(=O)C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL250005059895	0	37	-1.0	-46.70	304.50	-0.82	-47.52
CCC(OC)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059896	0	39	-1.0	-49.22	321.48	0.62	-48.60
COC(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059897	0	39	-1.0	-48.39	327.80	0.66	-47.73
C=CCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059898	0	36	-1.0	-46.82	309.31	1.36	-45.46
CCOCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059899	0	39	-1.0	-46.43	330.53	0.08	-46.35
COCC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059900	0	39	-1.0	-45.29	327.78	-0.32	-45.61
C=CCOCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059901	0	37	-1.0	-55.54	322.82	1.01	-54.53
O=C(N[C@@H]1CCN(C(=O)C2=COC=N2)C1)C1=CC(=O)[N-]O1	REAL250005059902	0	32	-1.0	-51.18	286.63	-2.26	-53.44
CC(C#N)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059903	0	33	-1.0	-52.79	295.28	0.22	-52.57
CCCC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059904	0	41	-1.0	-46.44	335.85	1.98	-44.46
O=C(CCC1CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059905	0	39	-1.0	-46.92	328.15	2.39	-44.53
O=C(N[C@@H]1CCN(C(=O)C2CC=CC2)C1)C1=CC(=O)[N-]O1	REAL250005059906	0	37	-1.0	-46.42	308.55	1.68	-44.74
O=C(CC1CCC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059907	0	39	-1.0	-47.05	322.94	2.12	-44.93
CC(C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005059908	0	39	-1.0	-47.18	325.36	2.04	-45.14
CC=C(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059909	0	36	-1.0	-51.28	308.83	1.21	-50.07
CC1CC(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005059910	0	39	-1.0	-46.69	323.99	1.97	-44.72
O=C(C=C1CCC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059911	0	37	-1.0	-51.49	313.45	2.03	-49.46
CC(C)=C(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059912	0	36	-1.0	-46.94	307.40	1.28	-45.66
O=C(N[C@@H]1CCN(C(=O)C2=CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005059913	0	37	-1.0	-47.21	304.96	1.56	-45.65
CC1(C)CC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059914	0	39	-1.0	-46.23	322.62	2.03	-44.20
CC1(C)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059915	0	39	-1.0	-46.24	322.73	2.02	-44.22
O=C(N[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005059916	0	37	-1.0	-50.22	307.02	0.50	-49.72
CCC(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059917	0	41	-1.0	-46.52	331.43	2.08	-44.44
C#CCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059918	0	37	-1.0	-49.57	325.09	2.13	-47.44
CC(C)(O)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059919	0	39	-1.0	-46.29	320.73	-0.52	-46.81
CC(C)[C@@H](O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059920	0	39	-1.0	-46.10	318.68	-0.80	-46.90
CCC(C)=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059921	0	39	-1.0	-50.10	326.61	2.10	-48.00
CC(C)C#CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059922	0	37	-1.0	-50.98	325.04	2.11	-48.87
O=C(C#CC1CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059923	0	35	-1.0	-51.39	314.82	2.26	-49.13
CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059924	0	32	-1.0	-47.21	275.00	0.06	-47.15
COCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059925	0	36	-1.0	-46.41	309.98	-0.86	-47.27
O=C(N[C@@H]1CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005059926	0	33	-1.0	-46.99	285.47	0.79	-46.20
O=C(N[C@@H]1CCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005059927	0	36	-1.0	-46.68	300.91	1.28	-45.40
O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL250005059928	0	39	-1.0	-46.64	313.44	1.72	-44.92
C=CCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059929	0	39	-1.0	-47.15	332.11	2.16	-44.99
CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059930	0	41	-1.0	-45.33	317.21	1.21	-44.12
NC(=O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059931	0	30	-1.0	-46.62	267.72	-4.60	-51.22
CC1CC1CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059932	0	39	-1.0	-47.19	325.33	2.22	-44.97
CCC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059933	0	39	-1.0	-46.88	325.23	1.80	-45.08
CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059934	0	38	-1.0	-46.52	304.50	0.72	-45.80
C=C(C)CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059935	0	39	-1.0	-46.47	330.95	2.04	-44.43
O=C(N[C@@H]1CCN(C(=O)C2(CF)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059936	0	36	-1.0	-50.14	310.79	1.25	-48.89
CC(C)C(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059937	0	41	-1.0	-45.47	330.92	1.71	-43.76
CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059938	0	39	-1.0	-46.92	328.83	2.24	-44.68
O=C(N[C@@H]1CCN(C(=O)C2CC23CC3)C1)C1=CC(=O)[N-]O1	REAL250005059939	0	37	-1.0	-47.24	317.98	2.26	-44.98
O=C(N[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005059940	0	37	-1.0	-50.62	308.10	0.49	-50.13
CC1(CC(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059941	0	39	-1.0	-46.72	325.61	2.07	-44.65
CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059942	0	36	-1.0	-47.15	304.64	1.13	-46.02
O=C(N[C@@H]1CCN(C(=O)C2=CNC=C2)C1)C1=CC(=O)[N-]O1	REAL250005059943	0	34	-1.0	-54.09	292.69	-0.13	-54.22
O=C(N[C@@H]1CCN(C(=O)C2=CN=CO2)C1)C1=CC(=O)[N-]O1	REAL250005059944	0	32	-1.0	-51.55	286.79	-2.87	-54.42
C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059945	0	39	-1.0	-46.19	313.31	1.12	-45.07
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059946	0	36	-1.0	-46.76	306.90	1.47	-45.29
CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL250005059947	0	39	-1.0	-46.98	314.70	1.47	-45.51
CCC(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059948	0	35	-1.0	-47.15	301.16	0.81	-46.34
O=C(CCCF)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059949	0	35	-1.0	-49.46	304.40	0.97	-48.49
C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059950	0	36	-1.0	-46.97	307.51	1.47	-45.50
CC(C)C(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059951	0	38	-1.0	-47.90	320.26	1.27	-46.63
O=C(N[C@@H]1CCN(C(=O)C2=NNN=C2)C1)C1=CC(=O)[N-]O1	REAL250005059952	0	32	-1.0	-49.35	286.23	-2.50	-51.85
O=C(CO)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059953	0	30	-1.0	-56.57	266.62	-2.82	-59.39
NC(=O)C=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059954	0	34	-1.0	-52.12	304.37	-3.32	-55.44
COC(=O)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059955	0	35	-1.0	-54.38	308.25	1.05	-53.33
CSC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059956	0	34	-1.0	-50.37	310.94	0.96	-49.41
NC(=O)CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059957	0	36	-1.0	-48.80	312.68	-3.13	-51.93
O=C(N[C@@H]1CCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005059958	0	34	-1.0	-51.19	293.19	-0.47	-51.66
O=C(N[C@@H]1CCN(C(=O)C2(Cl)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059959	0	33	-1.0	-44.73	297.11	1.04	-43.69
O=C(N[C@@H]1CCN(C(=O)C2=CCCO2)C1)C1=CC(=O)[N-]O1	REAL250005059960	0	35	-1.0	-49.38	301.01	0.07	-49.31
O=C(N[C@@H]1CCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005059961	0	34	-1.0	-47.18	293.51	-1.46	-48.64
O=C(C=CCO)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059962	0	34	-1.0	-55.41	299.09	-2.72	-58.13
CC=CC(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059963	0	37	-1.0	-46.72	314.02	-0.71	-47.43
C[C@@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059964	0	41	0.0	-68.81	326.55	1.06	-67.75
C[C@@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059964	1	40	-1.0	-45.69	317.94	-1.50	-47.19
CCC=C(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059965	0	36	-1.0	-47.33	311.12	1.36	-45.97
CCC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059966	0	36	-1.0	-51.68	309.08	1.40	-50.28
[N-]=[N+]=NCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059967	0	34	-1.0	-46.07	305.14	-3.35	-49.42
C#CCOCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059968	0	35	-1.0	-58.15	315.72	0.96	-57.19
CC(O)CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059969	0	39	-1.0	-46.75	329.61	-1.68	-48.43
C#CCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059970	0	34	-1.0	-46.93	302.28	1.32	-45.61
CC=CC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059971	0	37	-1.0	-51.39	324.15	2.09	-49.30
COCC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059972	0	37	-1.0	-53.91	321.34	-0.32	-54.23
CCC(C)(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059973	0	39	-1.0	-45.58	317.47	-1.76	-47.34
C#CCC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059974	0	37	-1.0	-45.59	320.65	1.75	-43.84
C=CC(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059975	0	34	-1.0	-47.21	292.22	-1.55	-48.76
O=C(N[C@@H]1CCN(C(=O)C23CC2CC3)C1)C1=CC(=O)[N-]O1	REAL250005059976	0	37	-1.0	-47.05	313.41	1.93	-45.12
C=C[C@H](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059977	0	39	-1.0	-46.14	326.07	1.92	-44.22
O=C(C=CC1CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059978	0	37	-1.0	-51.52	319.96	2.21	-49.31
CCC(C#N)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059979	0	36	-1.0	-47.71	311.29	0.68	-47.03
O=C(N[C@@H]1CCN(C(=O)C2C3CCC32)C1)C1=CC(=O)[N-]O1	REAL250005059980	0	37	-1.0	-46.84	311.94	2.12	-44.72
C=C1CCC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059981	0	37	-1.0	-46.33	311.54	1.64	-44.69
C[C@H]1C(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005059982	0	39	-1.0	-45.95	318.77	1.99	-43.96
CC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059983	0	41	0.0	-69.92	329.61	1.44	-68.48
CC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059983	1	41	0.0	-69.96	329.62	1.43	-68.53
CCN(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059983	1	40	-1.0	-47.06	326.53	-0.88	-47.94
CC(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059984	0	33	-1.0	-47.65	282.07	-2.25	-49.90
CC(=O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059985	0	31	-1.0	-46.40	274.64	-0.80	-47.20
N#CCCCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059986	0	36	-1.0	-55.30	318.66	1.35	-53.95
N#CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005059987	0	34	-1.0	-45.98	301.12	0.62	-45.36
C=C1CC(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005059988	0	37	-1.0	-46.30	314.55	1.79	-44.51
O=C(N[C@@H]1CCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005059989	0	33	-1.0	-44.89	289.99	0.73	-44.16
COC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059990	0	39	-1.0	-45.79	315.26	-0.46	-46.25
CC(CC#N)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059991	0	36	-1.0	-47.97	315.35	0.96	-47.01
CCC1CC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059992	0	39	-1.0	-46.17	323.47	2.24	-43.93
C=CC(C)(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059993	0	37	-1.0	-45.91	311.03	-1.66	-47.57
CCCC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059994	0	39	-1.0	-51.44	330.57	2.18	-49.26
CC=C(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059995	0	33	-1.0	-47.48	291.48	0.58	-46.90
C[C@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059996	0	41	0.0	-69.04	327.66	1.06	-67.98
C[C@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005059996	1	40	-1.0	-47.56	325.64	-1.27	-48.83
CCOC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059997	0	37	-1.0	-50.19	321.97	0.28	-49.91
CC(=O)OCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059998	0	35	-1.0	-53.49	311.42	1.05	-52.44
CC(=O)C=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059999	0	35	-1.0	-50.80	311.37	0.53	-50.27
O=C(COC1CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060000	0	37	-1.0	-50.79	321.26	1.20	-49.59
O=C(N[C@@H]1CCN(C(=O)C2=NC=CN2)C1)C1=CC(=O)[N-]O1	REAL250005060001	0	33	-1.0	-50.55	290.77	-0.47	-51.02
CC(CO)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060002	0	36	-1.0	-46.70	306.74	-2.73	-49.43
O=C(N[C@@H]1CCN(C(=O)C2=CON=C2)C1)C1=CC(=O)[N-]O1	REAL250005060003	0	32	-1.0	-46.21	283.54	-0.47	-46.68
O=C(CCCCO)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060004	0	39	-1.0	-48.05	330.72	-1.73	-49.78
O=C(N[C@@H]1CCN(C(=O)C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005060005	0	35	-1.0	-46.44	305.71	0.78	-45.66
O=C(CC1(O)CC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060006	0	37	-1.0	-50.68	319.24	-1.36	-52.04
O=C(N[C@@H]1CCN(C(=O)C2CCC2F)C1)C1=CC(=O)[N-]O1	REAL250005060007	0	36	-1.0	-50.50	307.38	1.42	-49.08
O=C(N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CF)C1)C1=CC(=O)[N-]O1	REAL250005060008	0	36	-1.0	-49.07	314.11	1.60	-47.47
CCC(CO)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060009	0	39	-1.0	-48.50	324.62	-2.12	-50.62
N#C[C@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060010	0	34	-1.0	-57.34	303.16	1.10	-56.24
O=C(N[C@@H]1CCN(C(=O)C2=COCC2)C1)C1=CC(=O)[N-]O1	REAL250005060011	0	35	-1.0	-47.79	295.00	-0.50	-48.29
O=C(N[C@@H]1CCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005060012	0	34	-1.0	-45.32	295.85	-2.54	-47.86
O=C(N[C@@H]1CCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005060013	0	34	-1.0	-47.95	291.69	1.19	-46.76
CC(CF)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060014	0	35	-1.0	-45.48	300.00	0.65	-44.83
CC(Cl)=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060015	0	33	-1.0	-52.75	301.28	1.17	-51.58
CC=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060016	0	33	-1.0	-51.56	289.00	0.65	-50.91
CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005060017	0	36	-1.0	-49.34	310.63	1.18	-48.16
O=C(C=CCF)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060018	0	33	-1.0	-53.86	294.17	0.76	-53.10
O=C(N[C@@H]1CCN(C(=O)C2(CO)CC2)C1)C1=CC(=O)[N-]O1	REAL250005060019	0	37	-1.0	-50.89	316.18	-2.23	-53.12
O=C(N[C@@H]1CCN(C(=O)C2=CC=NO2)C1)C1=CC(=O)[N-]O1	REAL250005060020	0	32	-1.0	-48.25	287.40	-0.35	-48.60
C[C@H](O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060022	0	33	-1.0	-47.47	282.05	-2.24	-49.71
CON=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060023	0	33	-1.0	-52.82	296.76	-1.42	-54.24
CC(C)[C@H](O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060024	0	39	-1.0	-46.62	318.49	-0.76	-47.38
C#CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005060025	0	35	-1.0	-46.16	306.42	1.52	-44.64
C=CC=CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060026	0	37	-1.0	-47.48	324.47	2.03	-45.45
C#C[C@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060027	0	35	-1.0	-49.59	309.04	1.96	-47.63
CC=C(CC)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060028	0	39	-1.0	-46.99	328.55	1.82	-45.17
COC(F)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060029	0	33	-1.0	-54.77	293.55	-1.19	-55.96
COCC(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060030	0	37	-1.0	-47.07	316.22	-2.96	-50.03
N#C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060031	0	34	-1.0	-48.86	307.16	1.22	-47.64
O=C(N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)C1)C1=CC(=O)[N-]O1	REAL250005060032	0	37	-1.0	-50.67	314.30	-2.09	-52.76
O=C(COCCO)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060033	0	37	-1.0	-58.07	322.10	-2.71	-60.78
CC(C)(CF)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060034	0	38	-1.0	-45.21	309.44	0.81	-44.40
CC(C)(CO)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060035	0	39	-1.0	-46.32	313.80	-2.51	-48.83
C=CCC(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060036	0	39	-1.0	-46.38	325.44	1.73	-44.65
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060037	0	36	-1.0	-46.76	306.90	1.47	-45.29
CC(C)(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060038	0	36	-1.0	-44.57	299.88	-2.49	-47.06
O=C(N[C@@H]1CCN(C(=O)C2=NOCC2)C1)C1=CC(=O)[N-]O1	REAL250005060039	0	34	-1.0	-47.49	297.19	-0.96	-48.45
CC(C#N)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060040	0	36	-1.0	-47.66	312.54	1.09	-46.57
CC(CCO)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060041	0	39	-1.0	-50.56	319.73	-2.31	-52.87
O=C(N[C@@H]1CCN(C(=O)[C@H](O)CF)C1)C1=CC(=O)[N-]O1	REAL250005060042	0	33	-1.0	-48.17	287.73	-2.16	-50.33
O=C(N[C@@H]1CCN(C(=O)C2(O)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005060043	0	37	-1.0	-44.99	309.04	-1.86	-46.85
O=C(N[C@@H]1CCN(C(=O)C(O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005060044	0	37	-1.0	-46.63	309.40	-0.48	-47.11
C=C(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060045	0	36	-1.0	-46.72	310.90	1.26	-45.46
CC(C)(C#N)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060046	0	36	-1.0	-47.10	306.11	0.29	-46.81
CCSCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060047	0	36	-1.0	-53.99	319.87	1.42	-52.57
CC(C)=C(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060048	0	39	-1.0	-46.88	324.53	1.89	-44.99
CNC(=O)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060049	0	36	-1.0	-58.39	312.39	-0.88	-59.27
O=C(N[C@@H]1CCN(C(=O)C2CC(F)C2)C1)C1=CC(=O)[N-]O1	REAL250005060050	0	36	-1.0	-49.35	309.59	1.42	-47.93
C=CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060051	0	33	-1.0	-47.09	289.20	0.61	-46.48
C[NH+](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060052	0	38	0.0	-71.01	310.65	0.73	-70.28
CN(C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060052	1	37	-1.0	-47.40	308.50	-1.65	-49.05
N#CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060053	0	30	-1.0	-60.26	275.61	-0.24	-60.50
O=C(N[C@@H]1CCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005060054	0	33	-1.0	-51.35	290.70	0.91	-50.44
C[C@@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005060055	0	41	0.0	-68.81	326.55	1.06	-67.75
C[C@@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005060055	1	40	-1.0	-45.69	317.94	-1.50	-47.19
O=C(CCF)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060056	0	32	-1.0	-46.19	281.59	0.18	-46.01
O=C(N[C@@H]1CCN(C(=O)C2C=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005060057	0	37	-1.0	-46.15	306.14	1.64	-44.51
C#CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060058	0	37	-1.0	-45.99	312.13	1.21	-44.78
CO[C@H](C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060059	0	36	-1.0	-49.97	302.97	-0.10	-50.07
CC(=O)CCC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060060	0	37	-1.0	-47.15	320.89	0.72	-46.43
C[C@@H](O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060061	0	33	-1.0	-47.85	281.26	-2.30	-50.15
O=C(CN1CCC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060062	0	38	-1.0	-48.48	316.36	-2.05	-50.53
O=C(C[NH+]1CCC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060062	1	39	0.0	-70.93	320.88	1.22	-69.71
CC(O)C(C)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060063	0	39	-1.0	-50.13	324.63	-2.12	-52.25
C=C1CC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060064	0	34	-1.0	-46.93	298.14	1.35	-45.58
COC(OC)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060065	0	37	-1.0	-48.65	310.70	-0.86	-49.51
CC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)COC1	REAL250005060066	0	37	-1.0	-46.91	305.71	-1.26	-48.17
O=C(N[C@@H]1CCN(C(=O)C2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005060067	0	34	-1.0	-54.08	299.68	-3.32	-57.40
O=C(N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005060068	0	34	-1.0	-54.08	301.15	-3.28	-57.36
CCC[C@H](O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060069	0	39	-1.0	-47.21	324.63	-0.68	-47.89
O=C(N[C@@H]1CCN(C(=O)C2(F)CCC2)C1)C1=CC(=O)[N-]O1	REAL250005060070	0	36	-1.0	-44.93	306.45	1.26	-43.67
O=C(N[C@@H]1CCN(C(=O)C2=CNC=N2)C1)C1=CC(=O)[N-]O1	REAL250005060071	0	33	-1.0	-53.48	291.28	0.26	-53.22
O=C(N[C@@H]1CCN(C(=O)C2=CN=CN2)C1)C1=CC(=O)[N-]O1	REAL250005060071	1	33	-1.0	-55.47	288.18	-0.01	-55.48
O=C(N[C@@H]1CCN(C(=O)C2CC(=O)C2)C1)C1=CC(=O)[N-]O1	REAL250005060072	0	35	-1.0	-48.89	305.51	0.42	-48.47
O=C(N[C@@H]1CCN(C(=O)C2(O)COC2)C1)C1=CC(=O)[N-]O1	REAL250005060073	0	35	-1.0	-46.14	299.82	-4.04	-50.18
CC(C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005060074	0	37	-1.0	-46.91	323.03	2.14	-44.77
CC1=CC1C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060075	0	34	-1.0	-47.67	301.43	1.52	-46.15
CN(C)C(=O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060076	0	36	-1.0	-47.06	305.85	-1.14	-48.20
CCCC(O)C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060077	0	39	-1.0	-46.71	324.06	-0.67	-47.38
CCC(O)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060078	0	39	-1.0	-50.15	328.46	-0.78	-50.93
O=C(CCCCF)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060079	0	38	-1.0	-47.28	325.89	1.75	-45.53
O=C(N[C@@H]1CCN(C(=O)[C@H]2CC(=O)N2)C1)C1=CC(=O)[N-]O1	REAL250005060080	0	34	-1.0	-54.66	300.40	-3.65	-58.31
COC1(C(=O)N2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005060081	0	37	-1.0	-45.09	314.90	-0.23	-45.32
O=C(N[C@@H]1CCN(C(=O)C2CSC2)C1)C1=CC(=O)[N-]O1	REAL250005060082	0	34	-1.0	-46.43	300.01	0.90	-45.53
C=CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060083	0	30	-1.0	-51.61	266.15	-0.25	-51.86
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(=O)N1	REAL250005060084	0	34	-1.0	-57.47	296.84	-3.73	-61.20
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC(F)C1	REAL250005060085	0	36	-1.0	-51.39	305.73	1.29	-50.10
O=C(N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=NO1	REAL250005060086	0	32	-1.0	-48.13	286.39	-0.32	-48.45
CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060087	0	35	-1.0	-49.67	285.86	1.62	-48.05
COCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060088	0	39	-1.0	-46.96	318.72	0.67	-46.29
CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060089	0	32	-1.0	-49.86	264.96	0.79	-49.07
CN(C(=O)C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060090	0	36	-1.0	-47.39	295.19	2.33	-45.06
CN(C(=O)C1CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060091	0	39	-1.0	-49.39	312.39	2.85	-46.54
CN(C(=O)CC1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060092	0	39	-1.0	-49.82	317.03	3.14	-46.68
CN(C(=O)C(C)(C)F)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060093	0	38	-1.0	-46.15	306.39	2.00	-44.15
COCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060094	0	36	-1.0	-50.32	297.76	0.98	-49.34
CCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060095	0	38	-1.0	-47.21	306.54	2.37	-44.84
CC(C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060096	0	41	-1.0	-46.89	323.27	2.96	-43.93
CC1CC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060097	0	39	-1.0	-48.85	311.61	3.05	-45.80
CCOCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060098	0	39	-1.0	-50.32	319.62	1.94	-48.38
CC(C)=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060099	0	39	-1.0	-46.55	313.65	2.90	-43.65
CSCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060100	0	36	-1.0	-49.52	308.11	2.05	-47.47
CCCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060101	0	41	-1.0	-47.26	328.04	3.15	-44.11
CC(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060102	0	38	-1.0	-47.16	302.70	2.02	-45.14
CCC(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060103	0	41	-1.0	-46.99	321.02	2.67	-44.32
COC(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060104	0	39	-1.0	-50.08	312.44	1.44	-48.64
C=CCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060105	0	39	-1.0	-47.08	319.35	2.93	-44.15
CC=C(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060106	0	39	-1.0	-47.38	313.94	2.58	-44.80
CN(C(=O)C1(C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060107	0	39	-1.0	-47.39	312.69	2.66	-44.73
C[C@@H]1C[C@H]1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060108	0	39	-1.0	-49.32	317.18	3.00	-46.32
CCC(F)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060109	0	38	-1.0	-47.86	311.84	2.37	-45.49
CN(C(=O)CCCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060110	0	38	-1.0	-50.00	313.13	2.51	-47.49
C[C@H]1C[C@@H]1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060111	0	39	-1.0	-49.25	317.90	3.00	-46.25
CN(C(=O)C(N)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060112	0	33	-1.0	-50.10	276.67	-2.94	-53.04
CN(C(=O)C(C)(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060113	0	41	-1.0	-46.56	312.13	2.13	-44.43
C=CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060114	0	36	-1.0	-47.47	297.95	2.14	-45.33
CN(C(=O)C[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060115	0	41	0.0	-72.59	320.63	2.28	-70.31
CN(C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060115	1	40	-1.0	-47.72	318.55	-0.11	-47.83
C=CC(O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060116	0	37	-1.0	-47.32	304.77	-0.21	-47.53
CN(C(=O)C1COC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060117	0	37	-1.0	-47.73	301.10	0.06	-47.67
CO[C@H](C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060118	0	39	-1.0	-48.39	314.64	1.42	-46.97
CCC=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060119	0	39	-1.0	-47.15	318.88	2.96	-44.19
CN(C(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060121	0	33	-1.0	-51.96	275.51	-1.31	-53.27
CC(O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060122	0	36	-1.0	-48.26	290.73	-0.76	-49.02
CN(C(=O)C1CC1F)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060123	0	36	-1.0	-48.69	303.33	2.41	-46.28
CN(C(=O)CCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060124	0	35	-1.0	-46.67	291.63	1.74	-44.93
CN(C(=O)C=CCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060125	0	36	-1.0	-49.13	303.98	2.32	-46.81
C#CCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060126	0	37	-1.0	-47.41	312.32	2.89	-44.52
CN(C(=O)C1CCO1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060127	0	37	-1.0	-53.33	300.25	1.00	-52.33
CN(C(=O)C(C)(C)O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060128	0	39	-1.0	-50.67	303.34	-0.55	-51.22
CC1=CC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060129	0	37	-1.0	-49.84	311.61	3.03	-46.81
C[C@@H](O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060130	0	36	-1.0	-48.26	290.73	-0.76	-49.02
CN(C(=O)C=CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060131	0	37	-1.0	-50.42	308.90	-1.16	-51.58
CN(C(=O)C1=CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060132	0	37	-1.0	-50.58	302.24	2.76	-47.82
CON=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060133	0	36	-1.0	-57.70	305.15	0.20	-57.50
CN(C(=O)C1(F)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060134	0	36	-1.0	-45.69	299.53	2.32	-43.37
CC=C(F)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060135	0	36	-1.0	-44.91	301.49	2.21	-42.70
CC(CO)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060136	0	39	-1.0	-47.10	310.26	-1.31	-48.41
C[C@H](O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060137	0	36	-1.0	-48.19	292.09	-0.77	-48.96
C=C1CC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060138	0	37	-1.0	-49.22	309.94	2.92	-46.30
CC(CF)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060139	0	38	-1.0	-46.13	305.47	2.10	-44.03
C=C(C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060140	0	39	-1.0	-47.30	319.30	2.79	-44.51
CC=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060141	0	36	-1.0	-47.36	297.80	2.20	-45.16
C[C@@H]1C[C@H]1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060142	0	39	-1.0	-49.32	317.18	3.00	-46.32
CN(C(=O)C1(O)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060143	0	37	-1.0	-47.62	307.69	-1.12	-48.74
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC2)C1	REAL250005060144	0	39	-1.0	-50.53	317.29	3.18	-47.35
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)F)C1	REAL250005060145	0	38	-1.0	-47.38	305.47	2.04	-45.34
COCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060146	0	36	-1.0	-53.45	299.07	1.05	-52.40
CCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060147	0	38	-1.0	-50.20	307.84	2.41	-47.79
CC(C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060148	0	41	-1.0	-49.72	324.57	3.00	-46.72
CC1CC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060149	0	39	-1.0	-49.64	316.64	3.06	-46.58
CCOCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060150	0	39	-1.0	-53.44	320.92	2.00	-51.44
CC(C)=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060151	0	39	-1.0	-49.46	315.52	2.94	-46.52
CSCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060152	0	36	-1.0	-52.48	309.41	2.09	-50.39
CCCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060153	0	41	-1.0	-50.31	329.34	3.19	-47.12
CC(C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060154	0	38	-1.0	-50.39	302.53	2.12	-48.27
CCC(C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060155	0	41	-1.0	-50.05	324.49	2.79	-47.26
COC(C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060156	0	39	-1.0	-53.71	314.70	1.56	-52.15
C=CCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060157	0	39	-1.0	-49.64	319.97	2.99	-46.65
CC(C#N)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060158	0	36	-1.0	-57.41	305.90	1.84	-55.57
CC=C(C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060159	0	39	-1.0	-45.47	307.45	2.49	-42.98
CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060160	0	35	-1.0	-50.40	286.34	1.65	-48.75
COCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060161	0	39	-1.0	-49.48	320.02	0.72	-48.76
CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060162	0	32	-1.0	-50.52	264.78	0.79	-49.73
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC2)C1	REAL250005060163	0	36	-1.0	-49.81	296.33	2.38	-47.43
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC2)C1	REAL250005060164	0	39	-1.0	-49.75	312.92	2.90	-46.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(N)=O)C1	REAL250005060165	0	33	-1.0	-46.76	278.99	-3.04	-49.80
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)C)C1	REAL250005060166	0	41	-1.0	-50.44	314.65	2.30	-48.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C)CC2)C1	REAL250005060167	0	39	-1.0	-49.63	314.13	2.71	-46.92
C[C@@H]1C[C@H]1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060168	0	39	-1.0	-49.93	317.46	3.08	-46.85
CCC(F)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060169	0	38	-1.0	-50.12	311.84	2.41	-47.71
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCF)C1	REAL250005060170	0	38	-1.0	-53.10	314.43	2.55	-50.55
C[C@H]1C[C@@H]1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060171	0	39	-1.0	-49.69	318.06	3.06	-46.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)C1	REAL250005060172	0	33	-1.0	-55.24	276.82	-1.24	-56.48
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCO2)C1	REAL250005060173	0	37	-1.0	-55.30	301.93	1.16	-54.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2COC2)C1	REAL250005060174	0	37	-1.0	-50.49	303.57	0.12	-50.37
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=CCO)C1	REAL250005060175	0	37	-1.0	-53.10	309.43	-1.15	-54.25
CCC=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060176	0	39	-1.0	-49.52	319.42	2.98	-46.54
C#CCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060177	0	37	-1.0	-49.95	313.63	2.92	-47.03
C=CC(O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060178	0	37	-1.0	-49.91	304.14	-0.10	-50.01
CC(O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060179	0	36	-1.0	-51.37	292.68	-0.62	-51.99
CC(=O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060180	0	34	-1.0	-45.65	284.62	0.79	-44.86
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(F)CC2)C1	REAL250005060181	0	36	-1.0	-45.97	299.03	2.31	-43.66
CC=C(F)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060182	0	36	-1.0	-46.76	301.66	2.16	-44.60
CC(CO)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060183	0	39	-1.0	-49.05	311.44	-1.28	-50.33
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(O)CC2)C1	REAL250005060184	0	37	-1.0	-47.04	307.64	-1.12	-48.16
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CCC2)C1	REAL250005060185	0	37	-1.0	-51.27	302.65	2.75	-48.52
CC(CF)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060186	0	38	-1.0	-48.58	311.10	2.26	-46.32
CC=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060187	0	36	-1.0	-50.20	299.18	2.22	-47.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=CCF)C1	REAL250005060188	0	36	-1.0	-51.77	304.51	2.33	-49.44
C[C@H](O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060190	0	36	-1.0	-54.29	292.53	-0.72	-55.01
CON=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060191	0	36	-1.0	-51.87	308.08	0.16	-51.71
C[C@@H]1C[C@H]1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060192	0	39	-1.0	-49.93	317.46	3.08	-46.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)O)C1	REAL250005060193	0	39	-1.0	-47.51	311.41	-0.85	-48.36
C=C(C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060194	0	39	-1.0	-50.06	320.87	2.84	-47.22
C=CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060195	0	36	-1.0	-50.48	299.25	2.19	-48.29
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+](C)C)C1	REAL250005060196	0	41	0.0	-73.96	321.93	2.34	-71.62
CN(C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060196	1	40	-1.0	-50.68	319.85	-0.05	-50.73
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC#N)C1	REAL250005060197	0	33	-1.0	-59.18	285.82	1.33	-57.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC2F)C1	REAL250005060198	0	36	-1.0	-49.26	303.01	2.47	-46.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCF)C1	REAL250005060199	0	35	-1.0	-49.06	292.94	1.79	-47.27
CO[C@H](C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060200	0	39	-1.0	-48.29	314.41	1.51	-46.78
C[C@@H](O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060201	0	36	-1.0	-49.66	292.59	-0.64	-50.30
C=C1CC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060202	0	37	-1.0	-49.57	308.84	2.96	-46.61
CC1=CC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060203	0	37	-1.0	-50.31	311.48	3.10	-47.21
C=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060204	0	33	-1.0	-50.59	277.81	1.37	-49.22
CCC(=O)N(CC)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060205	0	38	-1.0	-53.83	303.48	2.59	-51.24
CCN(C(C)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060206	0	35	-1.0	-50.78	283.69	1.81	-48.97
CCN(C(=O)C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060207	0	39	-1.0	-49.17	311.50	3.06	-46.11
CCN(C(=O)COC)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060208	0	39	-1.0	-57.76	316.20	1.85	-55.91
CCCC(=O)N(CC)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060209	0	41	-1.0	-50.07	325.44	3.36	-46.71
CCN(C(=O)C(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060210	0	41	-1.0	-53.89	316.83	2.94	-50.95
CCN(C(=O)C(N)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060211	0	36	-1.0	-49.76	294.91	-1.96	-51.72
C=CCC(=O)N(CC)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060212	0	39	-1.0	-54.10	316.39	3.13	-50.97
CCN(C(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060213	0	36	-1.0	-59.15	293.95	-0.43	-59.58
CCN(C(=O)C(C)O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060214	0	39	-1.0	-54.50	310.35	0.15	-54.35
CCN(C(=O)CCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060215	0	38	-1.0	-49.16	310.53	2.74	-46.42
CCN(C(=O)[C@@H](C)O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060216	0	39	-1.0	-50.90	307.90	0.05	-50.85
CCN(C(=O)[C@H](C)O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060217	0	39	-1.0	-54.51	310.36	0.15	-54.36
CC=CC(=O)N(CC)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060218	0	39	-1.0	-54.02	318.06	3.25	-50.77
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)COC)C1	REAL250005060219	0	39	-1.0	-54.93	315.66	2.00	-52.93
CCCC(=O)N1CCC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060220	0	41	-1.0	-51.57	324.47	3.37	-48.20
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)C)C1	REAL250005060221	0	41	-1.0	-54.77	317.67	2.91	-51.86
CCC(=O)N1CCC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060222	0	38	-1.0	-51.85	302.98	2.61	-49.24
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(C)=O)C1	REAL250005060223	0	35	-1.0	-52.14	281.38	1.75	-50.39
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC2)C1	REAL250005060224	0	39	-1.0	-52.33	313.93	3.37	-48.96
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(N)=O)C1	REAL250005060225	0	36	-1.0	-51.80	294.89	-2.12	-53.92
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)C1	REAL250005060226	0	36	-1.0	-56.66	293.41	-0.29	-56.95
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)O)C1	REAL250005060227	0	39	-1.0	-56.40	308.67	0.20	-56.20
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)=O)C1	REAL250005060228	0	37	-1.0	-51.34	302.30	1.69	-49.65
CC=CC(=O)N1CCC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060229	0	39	-1.0	-55.47	315.11	3.13	-52.34
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H](C)O)C1	REAL250005060230	0	39	-1.0	-52.33	308.78	0.24	-52.09
C=CCC(=O)N1CCC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060231	0	39	-1.0	-51.64	315.89	3.15	-48.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC#N)C1	REAL250005060232	0	36	-1.0	-59.65	302.40	2.29	-57.36
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCF)C1	REAL250005060233	0	38	-1.0	-53.15	309.08	2.71	-50.44
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H](C)O)C1	REAL250005060234	0	39	-1.0	-48.76	308.58	0.22	-48.54
C=CC(=O)N1CCC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060235	0	36	-1.0	-55.64	293.32	2.24	-53.40
CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060236	0	38	-1.0	-47.60	301.59	1.70	-45.90
CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060237	0	35	-1.0	-47.77	279.85	0.81	-46.96
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005060238	0	39	-1.0	-47.32	310.65	2.38	-44.94
COCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060239	0	39	-1.0	-50.46	314.31	1.06	-49.40
CCCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060240	0	41	-1.0	-47.41	323.08	2.46	-44.95
CC(C)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060241	0	41	-1.0	-47.07	319.72	2.28	-44.79
NC(=O)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060242	0	36	-1.0	-47.01	295.49	-3.03	-50.04
C=CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060243	0	39	-1.0	-47.63	314.50	2.24	-45.39
O=C(CO)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060244	0	36	-1.0	-51.93	290.65	-1.29	-53.22
CC(O)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060245	0	39	-1.0	-48.57	312.38	-0.44	-49.01
O=C(CCF)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060246	0	38	-1.0	-47.06	308.18	1.84	-45.22
C[C@@H](O)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060247	0	39	-1.0	-58.25	313.14	-0.66	-58.91
C[C@H](O)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060248	0	39	-1.0	-51.38	311.33	-0.52	-51.90
CC=CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060249	0	39	-1.0	-47.49	313.72	2.26	-45.23
COCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060250	0	39	-1.0	-59.57	318.04	1.18	-58.39
CCCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060251	0	41	-1.0	-55.69	326.82	2.56	-53.13
CC(C)C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060252	0	41	-1.0	-52.36	318.40	2.12	-50.24
CCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060253	0	38	-1.0	-55.76	305.32	1.79	-53.97
CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060254	0	35	-1.0	-49.73	282.87	1.00	-48.73
O=C(NC1CCCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005060255	0	39	-1.0	-47.77	314.41	2.55	-45.22
NC(=O)C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060256	0	36	-1.0	-48.15	289.64	-1.75	-49.90
O=C(CO)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060257	0	36	-1.0	-61.31	295.79	-1.10	-62.41
CC(O)C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060258	0	39	-1.0	-61.34	309.82	-0.67	-62.01
CC(=O)C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060259	0	37	-1.0	-46.80	296.57	2.07	-44.73
CC=CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060260	0	39	-1.0	-49.50	317.96	2.46	-47.04
C[C@H](O)C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060261	0	39	-1.0	-55.69	311.90	-0.58	-56.27
C=CCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060262	0	39	-1.0	-55.79	318.23	2.33	-53.46
N#CCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060263	0	36	-1.0	-64.95	304.78	1.48	-63.47
O=C(CCF)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060264	0	38	-1.0	-53.49	311.91	1.93	-51.56
C[C@@H](O)C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060265	0	39	-1.0	-61.48	311.61	-0.63	-62.11
C=CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060266	0	36	-1.0	-45.23	293.27	1.48	-43.75
CCC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060267	0	41	-1.0	-54.34	327.09	1.87	-52.47
CC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060268	0	38	-1.0	-54.58	306.76	1.05	-53.53
O=C(CO)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060269	0	39	-1.0	-59.58	317.56	-1.05	-60.63
CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060270	0	41	-1.0	-51.82	329.95	2.03	-49.79
CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060271	0	38	-1.0	-47.72	308.68	1.20	-46.52
O=C(CO)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060272	0	39	-1.0	-57.04	320.45	-0.85	-57.89
C=CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060273	0	39	-1.0	-52.17	320.69	1.73	-50.44
CCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060274	0	34	-1.0	-44.47	286.54	-0.62	-45.09
CCC(CNC(=O)CCOC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060275	0	38	-1.0	-45.02	320.22	-1.55	-46.57
CCC(CNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060276	0	35	-1.0	-44.43	297.04	0.14	-44.29
CCC(CNC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060277	0	38	-1.0	-44.09	313.28	0.65	-43.44
CCC(CNC(=O)C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060278	0	41	-1.0	-43.86	329.60	1.24	-42.62
CCC(CNC(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060279	0	38	-1.0	-44.50	317.46	0.92	-43.58
CCC(CNC(=O)C(C)(C)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005060280	0	37	-1.0	-44.95	313.36	0.03	-44.92
CCC(CNC(=O)C(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005060281	0	34	-1.0	-44.53	298.40	-0.44	-44.97
CCC(CNC(=O)COC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060282	0	35	-1.0	-47.04	299.26	-1.26	-48.30
CCCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060283	0	37	-1.0	-44.34	308.04	0.14	-44.20
CCC(CNC(=O)C1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060284	0	35	-1.0	-46.28	306.14	-0.32	-46.60
CCC(CNC(=O)CNC(C)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060285	0	38	-1.0	-48.76	324.92	-2.94	-51.70
CCC(CNC(=O)CC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060286	0	40	-1.0	-43.92	324.77	0.73	-43.19
CCC(CNC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060287	0	38	-1.0	-44.36	318.43	0.81	-43.55
CCOCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060288	0	38	-1.0	-46.92	321.12	-0.30	-47.22
CCC(CNC(=O)C=C(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060289	0	38	-1.0	-44.28	316.23	0.67	-43.61
CCC(CNC(=O)C1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060290	0	39	-1.0	-46.57	322.58	-0.05	-46.62
CCC(CNC(=O)CSC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060291	0	35	-1.0	-46.20	309.61	-0.20	-46.40
CCC(CNC(=O)CCC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060292	0	43	-1.0	-44.07	347.11	1.43	-42.64
CCC(CNC(=O)C1=CC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060293	0	36	-1.0	-45.95	309.05	-0.53	-46.48
CCC(CNC(=O)C1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060294	0	35	-1.0	-47.06	305.33	-0.36	-47.42
CCCCCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060295	0	43	-1.0	-44.22	351.04	1.71	-42.51
CCC(CNC(=O)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060296	0	43	-1.0	-43.29	339.74	1.26	-42.03
CCCCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060297	0	40	-1.0	-44.23	329.54	0.92	-43.31
CCC(CNC(=O)C(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060298	0	37	-1.0	-44.01	306.09	0.03	-43.98
CCC(C)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060299	0	40	-1.0	-44.03	324.22	0.68	-43.35
CCC(CNC(=O)C(CC)CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060300	0	43	-1.0	-43.63	340.81	1.14	-42.49
CCC(CNC(=O)C1=CC=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060301	0	35	-1.0	-46.22	303.75	-1.85	-48.07
CCOC(C)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060302	0	41	-1.0	-46.46	340.91	0.39	-46.07
CCC(CNC(=O)C1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060303	0	35	-1.0	-47.99	304.04	-1.90	-49.89
CCC(CNC(=O)CCCOC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060304	0	41	-1.0	-46.32	341.72	-0.79	-47.11
CCC(CNC(=O)C1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060305	0	34	-1.0	-48.68	300.64	-1.08	-49.76
CCC=C(C)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060306	0	41	-1.0	-44.40	335.24	1.42	-42.98
CCC(CNC(=O)C(C)OC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060307	0	38	-1.0	-46.50	319.05	-0.57	-47.07
CCC(CNC(=O)COC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060308	0	41	-1.0	-46.76	341.39	0.43	-46.33
CCCOCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060309	0	41	-1.0	-46.72	342.62	0.50	-46.22
CCC(CNC(=O)C1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060310	0	39	-1.0	-45.41	320.44	-1.28	-46.69
CCC(CNC(=O)C(CC)OC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060311	0	41	-1.0	-45.30	340.26	0.25	-45.05
CCC(CNC(=O)CC(C)OC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060312	0	41	-1.0	-45.90	339.36	-0.02	-45.92
C=CCCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060313	0	38	-1.0	-44.27	320.85	0.70	-43.57
CCOCCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060314	0	41	-1.0	-44.97	342.07	-0.58	-45.55
CCC(CNC(=O)C(C)COC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060315	0	41	-1.0	-44.55	338.93	-0.85	-45.40
C=CCOCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060316	0	39	-1.0	-47.13	334.02	0.28	-46.85
CCC(CNC(=O)C1=COC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060317	0	34	-1.0	-48.05	300.95	-3.73	-51.78
CCCC(C)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060318	0	43	-1.0	-43.90	345.72	1.43	-42.47
CCC(CNC(=O)CCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060319	0	41	-1.0	-44.25	339.66	1.71	-42.54
CCC(CNC(=O)C1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060320	0	39	-1.0	-44.20	322.08	1.13	-43.07
CCC(CNC(=O)CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060321	0	41	-1.0	-44.22	334.45	1.42	-42.80
CCC(CNC(=O)C(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060322	0	41	-1.0	-44.11	335.39	1.48	-42.63
CC=C(C)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060323	0	38	-1.0	-44.62	314.86	0.65	-43.97
CCC(CNC(=O)C1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060324	0	41	-1.0	-44.14	333.70	1.28	-42.86
CCC(CNC(=O)C=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060325	0	39	-1.0	-44.96	325.71	1.36	-43.60
CCC(CNC(=O)C(F)=C(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060326	0	38	-1.0	-44.75	320.75	0.74	-44.01
CCC(CNC(=O)C1=CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060327	0	39	-1.0	-44.68	323.13	1.24	-43.44
CCC(CNC(=O)C1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060328	0	41	-1.0	-43.83	333.66	1.37	-42.46
CCC(CNC(=O)[C@H]1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060329	0	41	-1.0	-43.83	333.68	1.37	-42.46
CCC(CNC(=O)[C@@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060330	0	39	-1.0	-47.17	322.67	-0.05	-47.22
CCC(C)CC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060331	0	43	-1.0	-43.85	343.00	1.39	-42.46
C#CCCCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060332	0	39	-1.0	-46.55	335.32	1.44	-45.11
CCC(CNC(=O)CC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060333	0	41	-1.0	-45.81	333.85	-1.37	-47.18
CCC(CNC(=O)[C@H](O)C(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060334	0	41	-1.0	-44.14	333.72	-1.20	-45.34
CCC(C)=CC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060335	0	41	-1.0	-43.96	337.70	1.44	-42.52
CCC(CNC(=O)C#CC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060336	0	39	-1.0	-46.06	335.94	1.39	-44.67
CCC(CNC(=O)C#CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060337	0	37	-1.0	-46.48	325.61	1.56	-44.92
C=C(C)CCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060338	0	41	-1.0	-44.07	342.21	1.36	-42.71
CCC(CNC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060339	0	38	-1.0	-44.16	314.82	0.73	-43.43
CCC(CNC(=O)[C@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060340	0	39	-1.0	-46.49	322.96	-0.04	-46.53
CCC(CNC(=O)C1=NNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060341	0	34	-1.0	-46.01	299.46	-3.30	-49.31
CCC(CNC(=O)C1=CN=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060341	1	34	-1.0	-46.65	298.56	-3.23	-49.88
CCC(CNC(=O)CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060342	0	41	-1.0	-44.03	337.46	1.40	-42.63
CCC(CNC(=O)C1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060343	0	34	-1.0	-46.67	300.95	-3.63	-50.30
C=CC(C)(C)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060344	0	41	-1.0	-43.97	333.74	0.99	-42.98
CCC(CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060345	0	38	-1.0	-44.28	318.45	0.82	-43.46
CCC(CNC(=O)C1(C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060346	0	41	-1.0	-43.89	330.51	1.16	-42.73
CCC(F)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060347	0	37	-1.0	-45.59	314.32	0.18	-45.41
CCC(CNC(=O)CCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005060348	0	37	-1.0	-46.12	314.63	0.28	-45.84
CCC(CNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060349	0	38	-1.0	-44.40	318.44	0.82	-43.58
C=CCCCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060350	0	41	-1.0	-44.54	342.35	1.49	-43.05
CCC(CNC(=O)C(C)(C)CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060351	0	43	-1.0	-43.87	339.20	1.09	-42.78
CCC(CNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060352	0	32	-1.0	-47.62	281.89	-5.31	-52.93
CCC(CNC(=O)CC1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060353	0	41	-1.0	-44.40	338.86	1.59	-42.81
CCC(CNC(=O)C1(CC)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060354	0	41	-1.0	-44.07	339.27	1.35	-42.72
CCC(CNC(=O)C1(CF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060355	0	38	-1.0	-44.13	319.53	0.83	-43.30
CCC(CNC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060356	0	40	-1.0	-43.83	324.98	0.59	-43.24
CCC(CNC(=O)C(C)C(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060357	0	43	-1.0	-43.43	340.11	1.23	-42.20
CCC(CNC(=O)[C@@H]1C[C@H]1CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060358	0	41	-1.0	-44.32	339.85	1.58	-42.74
CCC(CNC(=O)C1CC12CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005060359	0	39	-1.0	-44.59	329.51	1.62	-42.97
CCC(CNC(=O)[C@@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060360	0	36	-1.0	-50.79	311.00	-4.28	-55.07
CCC(CNC(=O)[C@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060361	0	36	-1.0	-50.10	311.49	-3.95	-54.05
CCC(CNC(=O)C1(OC)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060362	0	39	-1.0	-44.92	327.68	-0.80	-45.72
CCC(CNC(=O)C1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060363	0	36	-1.0	-44.86	313.14	0.30	-44.56
C=CCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060364	0	35	-1.0	-44.60	299.45	-0.08	-44.68
CCC(CNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060365	0	40	0.0	-63.44	322.13	0.09	-63.35
CCC(CNC(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060365	1	39	-1.0	-44.89	320.04	-2.29	-47.18
C=CC(O)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060366	0	36	-1.0	-45.25	307.90	-2.03	-47.28
CCC(CNC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060367	0	36	-1.0	-45.03	303.90	-2.12	-47.15
CCC(CNC(=O)[C@@H](C)OC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060368	0	38	-1.0	-46.51	319.05	-0.57	-47.08
CC=CC(O)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060369	0	39	-1.0	-45.12	329.61	-1.17	-46.29
CCC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060370	0	43	0.0	-61.86	340.24	0.49	-61.37
CCC(CNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060370	1	42	-1.0	-44.59	332.51	-1.87	-46.46
CCC=C(F)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060371	0	38	-1.0	-44.50	325.39	0.78	-43.72
CCC=CC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060372	0	38	-1.0	-44.58	321.21	0.74	-43.84
CCC(CNC(=O)C(C)(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005060374	0	41	-1.0	-44.79	334.33	-2.61	-47.40
CCC(CNC(=O)C1(F)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060375	0	38	-1.0	-43.83	319.65	0.67	-43.16
CCC(CNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005060376	0	32	-1.0	-48.40	277.01	-3.54	-51.94
CCC(CNC(=O)C=CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060377	0	36	-1.0	-49.82	316.51	-3.99	-53.81
CCC(CNC(=O)C(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060378	0	35	-1.0	-44.91	297.34	-2.76	-47.67
CCC(CNC(=O)C1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060379	0	39	-1.0	-44.26	321.36	-2.40	-46.66
CCC(CNC(=O)C(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060380	0	39	-1.0	-44.85	325.63	-0.95	-45.80
C=CCC(C)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060381	0	41	-1.0	-43.86	338.73	1.27	-42.59
CCC(CNC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005060382	0	35	-1.0	-44.78	303.85	0.24	-44.54
CCC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060383	0	43	0.0	-61.86	340.24	0.49	-61.37
CCC(CNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060383	1	42	-1.0	-44.59	332.51	-1.87	-46.46
CCC(CNC(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005060384	0	34	-1.0	-44.43	293.13	-0.48	-44.91
CCC(CNC(=O)C1(O)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060385	0	37	-1.0	-46.31	312.14	-4.65	-50.96
CCC(CNC(=O)C(C)=C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060386	0	39	-1.0	-45.24	329.32	1.60	-43.64
CCC(CNC(=O)C1CC1CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060387	0	41	-1.0	-43.85	334.38	1.60	-42.25
CCC(CNC(=O)CC1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060388	0	39	-1.0	-47.13	328.49	-2.61	-49.74
CCC(CNC(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005060389	0	35	-1.0	-45.79	306.30	0.09	-45.70
C#CCCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060390	0	36	-1.0	-45.03	313.82	0.66	-44.37
CCC(CNC(=O)CN1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060391	0	40	-1.0	-45.70	327.91	-2.70	-48.40
CCC(CNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060391	1	41	0.0	-62.66	332.23	0.52	-62.14
C#C[C@H]1C[C@H]1C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060392	0	37	-1.0	-46.43	319.94	1.31	-45.12
CCC(CNC(=O)C1C2CCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005060393	0	39	-1.0	-44.32	319.75	1.47	-42.85
C=C1CCC1C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060394	0	39	-1.0	-43.51	326.10	1.11	-42.40
CCC(CNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060395	0	41	-1.0	-44.28	334.93	1.37	-42.91
CCC(CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060396	0	43	0.0	-60.83	340.30	0.49	-60.34
CCC(CNC(=O)[C@@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060396	1	42	-1.0	-44.21	331.74	-1.97	-46.18
CC=CC=CC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060397	0	39	-1.0	-44.96	335.28	1.41	-43.55
CCC(CNC(=O)C=CCOC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060398	0	39	-1.0	-45.97	333.47	-0.98	-46.95
CCC(CNC(=O)C1(C)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060399	0	39	-1.0	-44.31	322.23	-1.53	-45.84
CCC(CNC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060400	0	36	-1.0	-47.14	305.47	-1.09	-48.23
CCC(CNC(=O)CCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005060401	0	36	-1.0	-44.33	316.69	-4.01	-48.34
C#CCOCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060402	0	37	-1.0	-49.39	326.91	0.23	-49.16
CCC(CNC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060403	0	38	-1.0	-44.70	317.03	-3.20	-47.90
CCC(CNC(=O)C1C=C1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060404	0	36	-1.0	-45.73	312.11	0.84	-44.89
CCC(CNC(=O)C(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060405	0	38	-1.0	-47.91	318.67	-1.79	-49.70
CCC(CNC(=O)C=CSC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060406	0	36	-1.0	-45.26	322.17	0.29	-44.97
CCC(CNC(=O)C(C)(O)CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060407	0	41	-1.0	-44.52	333.85	-2.51	-47.03
CCC(CNC(=O)C[N@H+](C)CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060408	0	43	0.0	-62.36	339.87	0.76	-61.60
CCC(CNC(=O)C[N@@H+](C)CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060408	1	43	0.0	-62.34	339.86	0.76	-61.58
CCC(CNC(=O)CN(C)CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060408	1	42	-1.0	-44.69	338.02	-1.50	-46.19
C=C1CC(C(=O)NCC(CC)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060409	0	39	-1.0	-44.00	326.79	1.16	-42.84
CCC(CNC(=O)C1CCC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005060410	0	38	-1.0	-46.73	317.30	0.75	-45.98
CCC(CNC(=O)C1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060411	0	35	-1.0	-47.11	303.87	-0.78	-47.89
CCC(CNC(=O)C1=CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060412	0	37	-1.0	-45.72	314.61	-0.75	-46.47
CCC[C@H](O)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060413	0	41	-1.0	-44.47	339.33	-1.16	-45.63
CCC(CNC(=O)[C@@H](O)C(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060414	0	41	-1.0	-44.06	334.16	-1.20	-45.26
CCOC=CC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060415	0	39	-1.0	-46.01	333.18	-0.40	-46.41
CCC(CNC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060416	0	35	-1.0	-44.86	297.34	-2.76	-47.62
CCC(CNC(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005060417	0	36	-1.0	-47.17	311.22	-3.38	-50.55
CCC(CNC(=O)C(C)(C)OC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060418	0	41	-1.0	-46.46	330.99	-0.09	-46.55
CCC(CNC(=O)CCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005060419	0	41	-1.0	-46.24	340.96	-2.42	-48.66
CCC(CNC(=O)C1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060420	0	39	-1.0	-46.89	329.50	-2.70	-49.59
CCC(CNC(=O)C(F)OC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060421	0	35	-1.0	-47.18	305.17	-1.79	-48.97
CCC(CNC(=O)C12CC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005060422	0	39	-1.0	-44.27	325.48	1.35	-42.92
C=C[C@H](C)CC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060423	0	41	-1.0	-43.78	337.55	1.26	-42.52
CCC(CNC(=O)C=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060424	0	39	-1.0	-44.62	332.10	1.55	-43.07
CC=C(CC)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060425	0	41	-1.0	-44.45	335.89	1.36	-43.09
C=CC(C)(O)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060426	0	39	-1.0	-44.39	327.21	-2.46	-46.85
CCC(CNC(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060427	0	36	-1.0	-45.27	307.54	0.71	-44.56
CCC(CNC(=O)C=NOC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060428	0	35	-1.0	-47.45	309.01	-2.06	-49.51
CCC(CNC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060429	0	35	-1.0	-45.18	303.25	0.18	-45.00
CCC(CNC(=O)C1=NOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060430	0	36	-1.0	-47.54	310.59	-1.78	-49.32
C#CC(C)(C)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060431	0	39	-1.0	-46.02	330.80	1.03	-44.99
CCC(CNC(=O)COC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060432	0	39	-1.0	-47.47	331.49	0.48	-46.99
CCC(CNC(=O)C1=NC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060433	0	35	-1.0	-49.13	304.97	-1.59	-50.72
CCCC=CC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060434	0	41	-1.0	-44.45	342.70	1.52	-42.93
CC=C(F)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060435	0	35	-1.0	-44.74	305.09	0.04	-44.70
CCC(CNC(=O)C(CC)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005060436	0	41	-1.0	-44.94	334.82	-2.31	-47.25
CCC(CNC(=O)C(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005060437	0	38	-1.0	-45.25	316.68	-3.26	-48.51
CCC(CNC(=O)C1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060438	0	34	-1.0	-46.51	300.27	-0.91	-47.42
CCC(CNC(=O)[C@@H]1C[C@H]1CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005060439	0	38	-1.0	-46.85	325.11	0.94	-45.91
C#CC1(C(=O)NCC(CC)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060440	0	37	-1.0	-44.69	322.76	1.20	-43.49
CCC(CNC(=O)C1=COCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060441	0	37	-1.0	-44.86	313.24	-0.79	-45.65
CCC(CNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060442	0	35	-1.0	-44.91	297.34	-2.76	-47.67
CCC(CNC(=O)C1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060443	0	39	-1.0	-44.20	322.15	1.16	-43.04
CCC(CNC(=O)C(C)C(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060444	0	41	-1.0	-44.50	332.95	-2.52	-47.02
C=C1CC1C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060445	0	36	-1.0	-44.94	310.63	0.72	-44.22
CCC(CNC(=O)C(C)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005060446	0	37	-1.0	-43.91	311.89	0.15	-43.76
C=C(C)CC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060447	0	38	-1.0	-44.57	321.10	0.58	-43.99
CCC(CNC(=O)C(C)=C(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060448	0	41	-1.0	-44.92	337.36	1.09	-43.83
CCCC(O)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060449	0	41	-1.0	-44.99	339.33	-1.16	-46.15
CCC(O)CC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060450	0	41	-1.0	-46.78	338.71	-1.47	-48.25
CC=CC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060451	0	35	-1.0	-44.83	300.12	-0.02	-44.85
CCC(CNC(=O)C1(C)CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005060452	0	38	-1.0	-47.00	319.51	0.84	-46.16
CCC(CNC(=O)[C@H]1C[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060453	0	39	-1.0	-46.83	324.69	-2.76	-49.59
CCC(CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060454	0	38	-1.0	-44.28	318.45	0.82	-43.46
CCC(CNC(=O)CC(=O)NC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060455	0	38	-1.0	-53.50	322.63	-1.57	-55.07
C=CC=CCC(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060456	0	39	-1.0	-44.95	334.70	1.35	-43.60
CCC(CNC(=O)CCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060457	0	38	-1.0	-49.19	324.23	-3.79	-52.98
CCC(CNC(=O)CCC(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005060458	0	41	-1.0	-45.23	339.85	-2.36	-47.59
C#CCC(C)C(=O)NCC(CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060459	0	39	-1.0	-44.65	331.70	1.21	-43.44
CCC(CNC(=O)C(C)CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005060460	0	41	-1.0	-46.87	335.64	-2.67	-49.54
CCC(CNC(=O)[C@H](O)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005060461	0	35	-1.0	-46.21	303.65	-2.61	-48.82
CCC(CNC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060462	0	36	-1.0	-45.19	305.38	-2.93	-48.12
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005060463	0	38	-1.0	-44.71	317.50	0.89	-43.82
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)F	REAL250005060464	0	37	-1.0	-42.94	313.37	0.01	-42.93
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(F)F	REAL250005060465	0	34	-1.0	-44.06	298.41	-0.46	-44.52
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC	REAL250005060466	0	35	-1.0	-47.47	299.28	-1.38	-48.85
CCCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060467	0	37	-1.0	-44.51	308.05	0.12	-44.39
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CO1	REAL250005060468	0	35	-1.0	-45.98	306.15	-0.32	-46.30
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CNC(C)=O	REAL250005060469	0	38	-1.0	-48.18	324.93	-2.95	-51.13
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)C	REAL250005060470	0	40	-1.0	-44.00	324.78	0.71	-43.29
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005060471	0	38	-1.0	-44.36	318.45	0.79	-43.57
CCOCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060472	0	38	-1.0	-47.43	321.13	-0.42	-47.85
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C(C)C	REAL250005060473	0	38	-1.0	-44.10	315.92	0.65	-43.45
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCO1	REAL250005060474	0	39	-1.0	-47.00	322.63	-0.20	-47.20
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC	REAL250005060475	0	35	-1.0	-46.62	309.62	-0.22	-46.84
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)C	REAL250005060476	0	43	-1.0	-44.37	347.12	1.40	-42.97
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1	REAL250005060477	0	36	-1.0	-46.90	309.04	-0.54	-47.44
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=C1	REAL250005060478	0	35	-1.0	-47.76	305.32	-0.37	-48.13
CCCCCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060479	0	43	-1.0	-44.46	351.05	1.68	-42.78
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C	REAL250005060480	0	43	-1.0	-43.33	339.75	1.23	-42.10
CCCCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060481	0	40	-1.0	-44.52	329.55	0.90	-43.62
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C	REAL250005060482	0	37	-1.0	-44.26	306.10	0.02	-44.24
CCC(C)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060483	0	40	-1.0	-44.16	324.23	0.67	-43.49
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(CC)CC	REAL250005060484	0	43	-1.0	-44.04	340.06	1.17	-42.87
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1	REAL250005060485	0	35	-1.0	-46.39	303.75	-1.86	-48.25
CCOC(C)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060486	0	41	-1.0	-46.92	340.92	0.27	-46.65
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1	REAL250005060487	0	35	-1.0	-47.55	304.04	-1.90	-49.45
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCOC	REAL250005060488	0	41	-1.0	-46.73	341.73	-0.81	-47.54
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC=C1	REAL250005060489	0	34	-1.0	-47.48	300.64	-1.09	-48.57
CCC=C(C)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060490	0	41	-1.0	-44.61	335.24	1.43	-43.18
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)OC	REAL250005060491	0	38	-1.0	-47.21	319.06	-0.69	-47.90
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC(C)C	REAL250005060492	0	41	-1.0	-47.22	341.41	0.30	-46.92
CCCOCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060493	0	41	-1.0	-47.24	342.63	0.38	-46.86
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1	REAL250005060494	0	39	-1.0	-45.72	320.24	-1.31	-47.03
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(CC)OC	REAL250005060495	0	41	-1.0	-46.27	340.29	0.16	-46.11
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)OC	REAL250005060496	0	41	-1.0	-45.14	339.37	-0.12	-45.26
C=CCCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060497	0	38	-1.0	-44.70	320.87	0.68	-44.02
CCOCCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060498	0	41	-1.0	-44.98	342.08	-0.61	-45.59
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)COC	REAL250005060499	0	41	-1.0	-44.44	338.94	-0.86	-45.30
C=CCOCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060500	0	39	-1.0	-47.85	334.03	0.15	-47.70
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=N1	REAL250005060501	0	34	-1.0	-47.05	300.95	-3.74	-50.79
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C#N	REAL250005060502	0	35	-1.0	-50.72	305.53	-0.35	-51.07
CCCC(C)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060503	0	43	-1.0	-44.16	345.73	1.43	-42.73
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CC1	REAL250005060504	0	41	-1.0	-44.58	339.67	1.68	-42.90
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CC1	REAL250005060505	0	39	-1.0	-44.30	322.10	1.11	-43.19
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCC1	REAL250005060506	0	41	-1.0	-44.42	334.46	1.41	-43.01
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C1CC1	REAL250005060507	0	41	-1.0	-44.35	335.40	1.47	-42.88
CC=C(C)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060508	0	38	-1.0	-44.76	314.86	0.66	-44.10
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)C1	REAL250005060509	0	41	-1.0	-44.31	334.28	1.28	-43.03
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCC1	REAL250005060510	0	39	-1.0	-44.81	325.64	1.35	-43.46
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)=C(C)C	REAL250005060511	0	38	-1.0	-43.51	320.15	0.70	-42.81
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCC1	REAL250005060512	0	39	-1.0	-44.70	323.12	1.23	-43.47
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(C)C	REAL250005060513	0	41	-1.0	-43.79	333.68	1.34	-42.45
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(C)C	REAL250005060514	0	41	-1.0	-43.72	333.69	1.34	-42.38
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCO1	REAL250005060515	0	39	-1.0	-48.07	323.02	-0.20	-48.27
CCC(C)CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060516	0	43	-1.0	-43.98	343.01	1.38	-42.60
C#CCCCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060517	0	39	-1.0	-46.96	335.33	1.42	-45.54
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)O	REAL250005060518	0	41	-1.0	-44.80	330.41	-1.36	-46.16
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)C(C)C	REAL250005060519	0	41	-1.0	-45.38	332.68	-2.19	-47.57
CCC(C)=CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060520	0	41	-1.0	-43.87	337.69	1.42	-42.45
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC(C)C	REAL250005060521	0	39	-1.0	-46.06	335.94	1.39	-44.67
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1CC1	REAL250005060522	0	37	-1.0	-46.33	325.61	1.56	-44.77
CCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060523	0	34	-1.0	-44.71	286.56	-0.65	-45.36
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCOC	REAL250005060524	0	38	-1.0	-45.03	320.23	-1.58	-46.61
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005060525	0	35	-1.0	-44.59	297.07	0.12	-44.47
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005060526	0	38	-1.0	-44.32	313.29	0.63	-43.69
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1	REAL250005060527	0	41	-1.0	-44.21	329.59	1.24	-42.97
C=CCCCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060528	0	41	-1.0	-44.78	342.36	1.46	-43.32
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CC	REAL250005060529	0	43	-1.0	-44.17	339.22	1.09	-43.08
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005060530	0	32	-1.0	-46.01	281.90	-5.31	-51.32
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1C	REAL250005060531	0	41	-1.0	-44.69	338.87	1.56	-43.13
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CC)CC1	REAL250005060532	0	41	-1.0	-44.67	340.10	1.31	-43.36
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005060533	0	40	-1.0	-44.11	324.99	0.59	-43.52
C=C(C)CCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060534	0	41	-1.0	-44.56	342.48	1.34	-43.22
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CC1	REAL250005060535	0	38	-1.0	-46.55	325.97	0.73	-45.82
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C(C)C	REAL250005060536	0	43	-1.0	-43.74	340.13	1.24	-42.50
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CC	REAL250005060537	0	41	-1.0	-44.48	339.85	1.56	-42.92
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CC2	REAL250005060538	0	39	-1.0	-44.62	329.52	1.59	-43.03
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCO1	REAL250005060539	0	39	-1.0	-48.29	322.97	-0.18	-48.47
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C)CC1	REAL250005060540	0	41	-1.0	-44.10	337.49	1.38	-42.72
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005060541	0	38	-1.0	-44.31	314.82	0.73	-43.58
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC=C1	REAL250005060542	0	36	-1.0	-49.13	309.18	-0.48	-49.61
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CO1	REAL250005060543	0	34	-1.0	-46.70	300.95	-3.63	-50.33
C=CC(C)(C)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060544	0	41	-1.0	-44.57	333.75	0.98	-43.59
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005060545	0	38	-1.0	-44.39	318.44	0.79	-43.60
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCC1	REAL250005060546	0	41	-1.0	-44.13	330.48	1.15	-42.98
CCC(F)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060547	0	37	-1.0	-46.33	314.33	0.15	-46.18
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCF	REAL250005060548	0	37	-1.0	-46.62	314.64	0.26	-46.36
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005060549	0	38	-1.0	-44.37	318.44	0.79	-43.58
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNN=C1	REAL250005060550	0	34	-1.0	-45.44	299.52	-3.32	-48.76
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1	REAL250005060550	1	34	-1.0	-47.19	298.55	-3.24	-50.43
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005060551	0	32	-1.0	-48.87	277.02	-3.67	-52.54
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(N)=O	REAL250005060552	0	36	-1.0	-48.93	316.51	-4.01	-52.94
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(=O)OC	REAL250005060553	0	37	-1.0	-51.32	318.50	0.18	-51.14
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CSC	REAL250005060554	0	36	-1.0	-44.96	322.16	0.29	-44.67
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(N)=O	REAL250005060555	0	38	-1.0	-48.42	324.24	-3.82	-52.24
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005060556	0	36	-1.0	-48.54	305.03	-1.11	-49.65
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCO1	REAL250005060557	0	37	-1.0	-45.34	314.64	-0.76	-46.10
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005060558	0	36	-1.0	-45.23	303.91	-2.14	-47.37
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005060559	0	36	-1.0	-48.05	311.22	-3.39	-51.44
CC=CC(O)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060560	0	39	-1.0	-44.45	329.62	-1.32	-45.77
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005060561	0	43	0.0	-60.28	340.28	0.47	-59.81
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005060561	1	42	-1.0	-44.98	334.21	-1.93	-46.91
CCC=C(F)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060562	0	38	-1.0	-43.77	325.39	0.78	-42.99
CCC=CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060563	0	38	-1.0	-44.72	321.21	0.74	-43.98
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCN=[N+]=[N-]	REAL250005060564	0	36	-1.0	-44.70	316.70	-4.04	-48.74
C#CCOCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060565	0	37	-1.0	-50.01	326.92	0.11	-49.90
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)O	REAL250005060566	0	41	-1.0	-45.00	339.86	-2.39	-47.39
C#CCCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060567	0	36	-1.0	-45.11	313.84	0.63	-44.48
CC=CC=CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060568	0	39	-1.0	-44.95	335.28	1.39	-43.56
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCOC	REAL250005060569	0	39	-1.0	-46.81	333.47	-0.98	-47.79
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(O)CC	REAL250005060570	0	41	-1.0	-44.08	333.66	-2.56	-46.64
C#CCC(C)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060571	0	39	-1.0	-44.57	331.70	1.21	-43.36
C=CC(O)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060572	0	36	-1.0	-44.65	307.91	-2.17	-46.82
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC1CC2	REAL250005060573	0	39	-1.0	-44.46	325.49	1.33	-43.13
C=C[C@H](C)CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060574	0	41	-1.0	-44.18	337.57	1.25	-42.93
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CC1	REAL250005060575	0	39	-1.0	-44.68	332.09	1.55	-43.13
CCC(C#N)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060576	0	38	-1.0	-45.26	326.16	0.29	-44.97
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCC21	REAL250005060577	0	39	-1.0	-44.31	317.34	1.36	-42.95
C=C1CCC1C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060578	0	39	-1.0	-44.51	326.83	1.12	-43.39
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005060579	0	41	-1.0	-44.40	334.94	1.33	-43.07
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)CC	REAL250005060580	0	43	0.0	-62.83	339.87	0.74	-62.09
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)CC	REAL250005060580	1	43	0.0	-62.82	339.87	0.74	-62.08
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)CC	REAL250005060580	1	42	-1.0	-44.94	338.03	-1.52	-46.46
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)O	REAL250005060581	0	35	-1.0	-46.03	297.36	-2.90	-48.93
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)=O	REAL250005060582	0	33	-1.0	-44.63	288.81	-1.50	-46.13
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC#N	REAL250005060583	0	38	-1.0	-51.52	328.91	0.63	-50.89
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C#N)CC1	REAL250005060584	0	36	-1.0	-48.58	316.33	0.37	-48.21
C=C1CC(C(=O)NC(CC)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060585	0	39	-1.0	-44.17	326.79	1.14	-43.03
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005060586	0	35	-1.0	-43.34	303.27	0.17	-43.17
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)OC	REAL250005060587	0	41	-1.0	-47.25	331.01	-0.19	-47.44
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CC#N	REAL250005060588	0	38	-1.0	-46.54	325.28	0.39	-46.15
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1CC	REAL250005060589	0	41	-1.0	-43.86	334.39	1.57	-42.29
C=CC(C)(O)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060590	0	39	-1.0	-44.47	327.22	-2.49	-46.96
CCCC=CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060591	0	41	-1.0	-44.61	342.71	1.52	-43.09
CC=C(F)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060592	0	35	-1.0	-43.84	305.09	0.04	-43.80
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005060593	0	43	0.0	-60.26	340.31	0.47	-59.79
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)N(C)C	REAL250005060593	1	42	-1.0	-44.36	331.75	-1.96	-46.32
CCOC=CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060594	0	39	-1.0	-45.39	333.18	-0.40	-45.79
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC(C)=O	REAL250005060595	0	37	-1.0	-48.79	322.63	0.19	-48.60
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(C)=O	REAL250005060596	0	37	-1.0	-47.00	323.37	-0.16	-47.16
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC1	REAL250005060597	0	39	-1.0	-48.00	331.50	0.36	-47.64
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1	REAL250005060598	0	35	-1.0	-47.71	304.99	-1.61	-49.32
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CO	REAL250005060599	0	38	-1.0	-44.96	316.68	-3.26	-48.22
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CON=C1	REAL250005060600	0	34	-1.0	-46.39	300.26	-0.93	-47.32
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCO	REAL250005060601	0	41	-1.0	-46.27	340.97	-2.44	-48.71
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C1CC1	REAL250005060602	0	37	-1.0	-44.52	319.89	0.08	-44.44
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC1	REAL250005060603	0	39	-1.0	-47.50	328.14	-2.60	-50.10
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1F	REAL250005060604	0	38	-1.0	-46.35	319.92	0.74	-45.61
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CF	REAL250005060605	0	38	-1.0	-47.44	325.10	0.93	-46.51
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(CC)CO	REAL250005060606	0	41	-1.0	-43.98	334.06	-2.54	-46.52
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@@H]1C#N	REAL250005060607	0	36	-1.0	-52.79	314.04	0.43	-52.36
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCC1	REAL250005060608	0	37	-1.0	-45.09	313.24	-0.80	-45.89
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005060609	0	36	-1.0	-45.54	305.39	-2.95	-48.49
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005060610	0	36	-1.0	-45.36	307.54	0.70	-44.66
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CF	REAL250005060611	0	37	-1.0	-43.90	311.90	0.15	-43.75
CC=CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060612	0	35	-1.0	-44.87	300.12	-0.02	-44.89
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1F	REAL250005060613	0	38	-1.0	-43.65	321.03	0.82	-42.83
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005060614	0	35	-1.0	-46.82	306.30	0.09	-46.73
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CC1	REAL250005060615	0	39	-1.0	-47.65	330.72	-2.75	-50.40
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NO1	REAL250005060616	0	34	-1.0	-45.96	300.64	-0.92	-46.88
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005060618	0	35	-1.0	-48.19	297.69	-2.91	-51.10
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=NOC	REAL250005060619	0	35	-1.0	-47.89	309.01	-2.07	-49.96
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](O)C(C)C	REAL250005060620	0	41	-1.0	-45.59	330.35	-1.42	-47.01
C#CC1(C(=O)NC(CC)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060621	0	37	-1.0	-44.10	322.76	1.20	-42.90
C=CC=CCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060622	0	39	-1.0	-45.41	334.72	1.32	-44.09
C#C[C@H]1C[C@H]1C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060623	0	37	-1.0	-46.80	319.95	1.28	-45.52
CC=C(CC)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060624	0	41	-1.0	-44.44	335.90	1.37	-43.07
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)OC	REAL250005060625	0	35	-1.0	-48.00	305.18	-1.86	-49.86
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C#N	REAL250005060626	0	36	-1.0	-46.06	318.07	0.54	-45.52
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005060627	0	39	-1.0	-47.59	324.73	-2.80	-50.39
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CO	REAL250005060628	0	41	-1.0	-44.87	334.34	-2.62	-47.49
C=CCC(C)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060629	0	41	-1.0	-44.25	338.73	1.26	-42.99
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005060630	0	38	-1.0	-44.39	318.44	0.79	-43.60
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005060631	0	38	-1.0	-43.62	317.04	-3.23	-46.85
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOCC1	REAL250005060632	0	36	-1.0	-46.16	310.59	-1.79	-47.95
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)C#N	REAL250005060633	0	38	-1.0	-46.37	324.10	0.39	-45.98
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CCO	REAL250005060634	0	41	-1.0	-47.44	335.65	-2.68	-50.12
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)CF	REAL250005060635	0	35	-1.0	-46.00	303.66	-2.74	-48.74
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCC1	REAL250005060636	0	39	-1.0	-45.85	321.38	-2.40	-48.25
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CC1	REAL250005060637	0	39	-1.0	-44.48	329.34	-1.36	-45.84
C=C(C)CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060638	0	38	-1.0	-44.59	320.82	0.54	-44.05
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C#N	REAL250005060639	0	38	-1.0	-49.75	324.38	0.15	-49.60
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)=C(C)C	REAL250005060640	0	41	-1.0	-44.03	330.85	1.37	-42.66
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(=O)NC	REAL250005060641	0	38	-1.0	-54.37	322.65	-1.74	-56.11
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(F)C1	REAL250005060642	0	38	-1.0	-45.89	319.92	0.73	-45.16
C=CCC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060643	0	35	-1.0	-44.97	299.47	-0.11	-45.08
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005060644	0	40	0.0	-63.60	322.14	0.08	-63.52
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005060644	1	39	-1.0	-44.90	320.06	-2.31	-47.21
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC#N	REAL250005060645	0	32	-1.0	-52.47	286.02	-0.97	-53.44
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005060646	0	35	-1.0	-44.02	303.87	0.22	-43.80
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005060647	0	43	0.0	-60.28	340.28	0.47	-59.81
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005060647	1	42	-1.0	-44.98	334.21	-1.93	-46.91
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005060648	0	34	-1.0	-44.51	293.15	-0.51	-45.02
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=CCC1	REAL250005060649	0	39	-1.0	-44.23	322.08	1.15	-43.08
C#CC(C)(C)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060650	0	39	-1.0	-46.59	330.81	1.03	-45.56
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)OC	REAL250005060651	0	38	-1.0	-47.20	319.03	-0.68	-47.88
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)=O	REAL250005060652	0	39	-1.0	-46.59	331.14	0.02	-46.57
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005060653	0	35	-1.0	-48.19	297.69	-2.91	-51.10
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1	REAL250005060654	0	40	-1.0	-46.14	327.92	-2.72	-48.86
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005060654	1	41	0.0	-63.29	332.24	0.49	-62.80
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C(C)O	REAL250005060655	0	41	-1.0	-44.51	332.97	-2.52	-47.03
C=C1CC1C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060656	0	36	-1.0	-44.61	310.65	0.69	-43.92
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)COC1	REAL250005060657	0	39	-1.0	-44.57	322.25	-1.54	-46.11
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N1	REAL250005060658	0	36	-1.0	-51.67	311.44	-4.20	-55.87
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC(=O)N1	REAL250005060659	0	36	-1.0	-50.92	311.49	-3.95	-54.87
CCC[C@H](O)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060660	0	41	-1.0	-45.51	339.41	-1.28	-46.79
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCC1	REAL250005060661	0	38	-1.0	-42.80	319.65	0.67	-42.13
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1	REAL250005060662	0	35	-1.0	-48.31	303.82	-0.81	-49.12
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)C1	REAL250005060663	0	37	-1.0	-47.06	316.01	-0.29	-47.35
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)COC1	REAL250005060664	0	37	-1.0	-46.98	312.15	-4.67	-51.65
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)=C1CC1	REAL250005060665	0	39	-1.0	-45.36	329.32	1.60	-43.76
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=C1C	REAL250005060666	0	36	-1.0	-45.64	312.08	0.83	-44.81
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)N(C)C	REAL250005060667	0	38	-1.0	-45.78	318.68	-1.81	-47.59
CCCC(O)C(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060668	0	41	-1.0	-44.64	339.35	-1.28	-45.92
CCC(O)CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060669	0	41	-1.0	-46.93	338.73	-1.59	-48.52
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC(=O)N1	REAL250005060670	0	36	-1.0	-50.99	311.51	-3.96	-54.95
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(OC)CC1	REAL250005060671	0	39	-1.0	-42.47	327.15	-0.79	-43.26
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CSC1	REAL250005060672	0	36	-1.0	-45.19	313.15	0.28	-44.91
C=CC(=O)NC(CC)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060673	0	32	-1.0	-44.94	278.40	-0.91	-45.85
CCC(CNC(=O)C1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060674	0	36	-1.0	-50.40	311.52	-3.93	-54.33
CCC(CNC(=O)C1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060675	0	38	-1.0	-44.62	319.48	0.73	-43.89
CCC(CNC(=O)C1=CC=NO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005060676	0	34	-1.0	-47.10	300.65	-0.90	-48.00
CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060677	0	38	-1.0	-47.67	310.31	0.44	-47.23
CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060678	0	35	-1.0	-48.09	289.61	-0.40	-48.49
O=C(NCC1(NC(=O)C2CC2)CCCC1)C1=CC(=O)[N-]O1	REAL250005060679	0	39	-1.0	-47.24	320.11	1.23	-46.01
COCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060680	0	39	-1.0	-51.19	322.92	-0.33	-51.52
CCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060681	0	41	-1.0	-47.82	331.70	1.17	-46.65
CC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060682	0	41	-1.0	-47.09	329.40	1.14	-45.95
NC(=O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060683	0	36	-1.0	-46.18	304.95	-4.22	-50.40
C=CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060684	0	39	-1.0	-47.81	323.11	0.95	-46.86
O=C(CO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060685	0	36	-1.0	-52.58	300.67	-2.61	-55.19
CC(O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060686	0	39	-1.0	-47.46	320.06	-1.78	-49.24
O=C(CCF)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060687	0	38	-1.0	-47.18	316.79	0.55	-46.63
C[C@@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060688	0	39	-1.0	-51.76	320.40	-1.79	-53.55
C[C@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060689	0	39	-1.0	-48.93	320.75	-1.79	-50.72
CC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060690	0	39	-1.0	-47.42	323.16	1.08	-46.34
COCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060691	0	39	-1.0	-51.60	322.32	-0.18	-51.78
CCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060692	0	41	-1.0	-48.63	331.10	1.22	-47.41
CC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060693	0	41	-1.0	-49.43	329.91	1.12	-48.31
CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060694	0	38	-1.0	-48.79	309.60	0.45	-48.34
CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060695	0	35	-1.0	-49.06	289.31	-0.37	-49.43
O=C(NC1(CNC(=O)C2CC2)CCCC1)C1=CC(=O)[N-]O1	REAL250005060696	0	39	-1.0	-49.77	320.73	1.20	-48.57
NC(=O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060697	0	36	-1.0	-47.93	304.95	-4.22	-52.15
O=C(CO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060698	0	36	-1.0	-53.16	300.07	-2.47	-55.63
CC(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060699	0	39	-1.0	-48.98	321.16	-1.70	-50.68
CC(=O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060700	0	37	-1.0	-47.04	311.35	-0.44	-47.48
CC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060701	0	39	-1.0	-49.07	323.18	1.04	-48.03
C[C@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060702	0	39	-1.0	-48.46	320.37	-1.68	-50.14
C=CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060703	0	39	-1.0	-48.60	322.51	0.99	-47.61
N#CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060704	0	36	-1.0	-55.92	309.06	0.12	-55.80
O=C(CCF)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060705	0	38	-1.0	-47.82	316.19	0.59	-47.23
C[C@@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060706	0	39	-1.0	-48.98	321.12	-1.69	-50.67
C=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005060707	0	36	-1.0	-49.11	301.45	0.16	-48.95
CCC(=O)NC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060708	0	38	-1.0	-47.54	307.36	0.59	-46.95
CC(=O)NC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060709	0	35	-1.0	-47.12	288.66	-0.23	-47.35
CC(CNC(=O)C1=CC(=O)[N-]O1)(NC(=O)C1CC1)C1CC1	REAL250005060710	0	39	-1.0	-46.76	319.49	1.37	-45.39
COCC(=O)NC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060711	0	39	-1.0	-50.81	320.08	-0.20	-51.01
CCCC(=O)NC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060712	0	41	-1.0	-47.50	328.86	1.36	-46.14
CC(C)C(=O)NC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060713	0	41	-1.0	-47.73	327.16	1.26	-46.47
CC(CNC(=O)C1=CC(=O)[N-]O1)(NC(=O)C(N)=O)C1CC1	REAL250005060714	0	36	-1.0	-46.58	302.71	-4.08	-50.66
C=CCC(=O)NC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060715	0	39	-1.0	-48.07	320.27	1.13	-46.94
CC(CNC(=O)C1=CC(=O)[N-]O1)(NC(=O)CO)C1CC1	REAL250005060716	0	36	-1.0	-52.09	297.83	-2.48	-54.57
CC(O)C(=O)NC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060717	0	39	-1.0	-49.38	317.46	-1.70	-51.08
CC(CNC(=O)C1=CC(=O)[N-]O1)(NC(=O)CCF)C1CC1	REAL250005060718	0	38	-1.0	-47.03	313.95	0.73	-46.30
C[C@@H](O)C(=O)NC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060719	0	39	-1.0	-47.00	320.13	-1.67	-48.67
C[C@H](O)C(=O)NC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060720	0	39	-1.0	-49.39	317.46	-1.70	-51.09
CC=CC(=O)NC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060721	0	39	-1.0	-47.54	320.92	1.20	-46.34
COCC(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060722	0	39	-1.0	-51.48	321.82	-0.06	-51.54
CCCC(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060723	0	41	-1.0	-48.43	330.59	1.35	-47.08
CC(C)C(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060724	0	41	-1.0	-48.50	328.64	1.25	-47.25
CCC(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060725	0	38	-1.0	-48.64	309.09	0.58	-48.06
CC(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060726	0	35	-1.0	-48.82	288.50	-0.22	-49.04
CC(CNC(=O)C1CC1)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060727	0	39	-1.0	-48.76	319.43	1.35	-47.41
CC(CNC(=O)C(N)=O)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060728	0	36	-1.0	-47.33	304.44	-4.08	-51.41
CC(CNC(=O)CO)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060729	0	36	-1.0	-53.00	299.56	-2.34	-55.34
CC(O)C(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060730	0	39	-1.0	-49.94	319.89	-1.55	-51.49
CC(=O)C(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060731	0	37	-1.0	-46.45	310.84	-0.30	-46.75
CC=CC(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060732	0	39	-1.0	-48.84	322.67	1.18	-47.66
C[C@H](O)C(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060733	0	39	-1.0	-48.29	319.89	-1.55	-49.84
C=CCC(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060734	0	39	-1.0	-48.44	322.01	1.12	-47.32
CC(CNC(=O)CC#N)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060735	0	36	-1.0	-55.79	308.56	0.25	-55.54
CC(CNC(=O)CCF)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060736	0	38	-1.0	-47.46	315.68	0.72	-46.74
C[C@@H](O)C(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060737	0	39	-1.0	-49.93	319.77	-1.53	-51.46
C=CC(=O)NCC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060738	0	36	-1.0	-48.96	300.94	0.29	-48.67
CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCCC1C	REAL250005060739	0	41	-1.0	-46.96	311.17	1.19	-45.77
CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCC1C	REAL250005060740	0	41	-1.0	-52.58	313.51	1.27	-51.31
CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060741	0	41	-1.0	-51.82	329.95	2.03	-49.79
CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060742	0	38	-1.0	-47.72	308.68	1.20	-46.52
O=C(CO)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005060743	0	39	-1.0	-57.04	320.45	-0.85	-57.89
CCC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060744	0	41	-1.0	-54.34	327.09	1.87	-52.47
CC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060745	0	38	-1.0	-54.58	306.76	1.05	-53.53
O=C(CO)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060746	0	39	-1.0	-59.58	317.56	-1.05	-60.63
C=CC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005060747	0	39	-1.0	-54.41	318.94	1.59	-52.82
CCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060748	0	41	-1.0	-47.86	329.59	2.05	-45.81
CC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060749	0	38	-1.0	-49.92	308.32	1.23	-48.69
O=C(CO)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060750	0	39	-1.0	-52.41	320.06	-0.85	-53.26
CCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060751	0	41	-1.0	-51.14	326.35	1.73	-49.41
CC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060752	0	38	-1.0	-51.32	305.75	0.92	-50.40
O=C(CO)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060753	0	39	-1.0	-55.97	316.82	-1.19	-57.16
C=CC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060754	0	39	-1.0	-51.39	318.20	1.45	-49.94
CCC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060755	0	38	-1.0	-47.41	314.28	0.34	-47.07
CC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060756	0	35	-1.0	-49.58	293.99	-0.49	-50.07
O=C(N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005060757	0	39	-1.0	-47.19	324.80	1.10	-46.09
COCC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060758	0	39	-1.0	-52.60	327.00	-0.30	-52.90
CCCC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060759	0	41	-1.0	-49.22	335.78	1.12	-48.10
CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060760	0	41	-1.0	-49.02	333.83	1.01	-48.01
NC(=O)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060761	0	36	-1.0	-47.61	309.62	-4.32	-51.93
C=CCC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060762	0	39	-1.0	-49.46	327.20	0.88	-48.58
O=C(CO)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060763	0	36	-1.0	-54.15	304.74	-2.58	-56.73
CC(O)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060764	0	39	-1.0	-53.80	325.41	-1.82	-55.62
O=C(CCF)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060765	0	38	-1.0	-48.53	320.88	0.46	-48.07
C[C@@H](O)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060766	0	39	-1.0	-50.37	325.06	-1.79	-52.16
C[C@H](O)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060767	0	39	-1.0	-48.21	325.08	-1.78	-49.99
CC=CC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060768	0	39	-1.0	-49.37	327.85	0.96	-48.41
COCC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060769	0	39	-1.0	-52.60	327.00	-0.30	-52.90
CCCC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060770	0	41	-1.0	-49.22	335.78	1.12	-48.10
CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060771	0	41	-1.0	-49.02	333.83	1.01	-48.01
CCC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060772	0	38	-1.0	-47.41	314.28	0.34	-47.07
CC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060773	0	35	-1.0	-49.58	293.99	-0.49	-50.07
O=C(N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005060774	0	39	-1.0	-47.19	324.80	1.10	-46.09
NC(=O)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060775	0	36	-1.0	-47.61	309.62	-4.32	-51.93
O=C(CO)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060776	0	36	-1.0	-54.15	304.74	-2.58	-56.73
CC(O)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060777	0	39	-1.0	-53.80	325.41	-1.82	-55.62
CC(=O)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060778	0	37	-1.0	-46.71	316.02	-0.54	-47.25
CC=CC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060779	0	39	-1.0	-49.37	327.85	0.96	-48.41
C[C@H](O)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060780	0	39	-1.0	-48.21	325.08	-1.78	-49.99
C=CCC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060781	0	39	-1.0	-49.46	327.20	0.88	-48.58
N#CCC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060782	0	36	-1.0	-58.47	313.75	0.01	-58.46
O=C(CCF)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060783	0	38	-1.0	-48.53	320.88	0.46	-48.07
C[C@@H](O)C(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060784	0	39	-1.0	-50.37	325.06	-1.79	-52.16
C=CC(=O)N[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060785	0	36	-1.0	-49.47	306.13	0.07	-49.40
CC(=O)NCC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005060786	0	35	-1.0	-47.40	313.60	0.52	-46.88
CC(=O)NCC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL250005060787	0	35	-1.0	-47.40	313.60	0.52	-46.88
CCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060788	0	41	-1.0	-51.14	326.35	1.73	-49.41
CC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060789	0	38	-1.0	-51.32	305.75	0.92	-50.40
O=C(CO)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060790	0	39	-1.0	-55.97	316.82	-1.19	-57.16
CCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060791	0	41	-1.0	-47.86	329.59	2.05	-45.81
CC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060792	0	38	-1.0	-49.92	308.32	1.23	-48.69
O=C(CO)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060793	0	39	-1.0	-52.41	320.06	-0.85	-53.26
C=CC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060794	0	39	-1.0	-50.02	320.37	1.75	-48.27
CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060795	0	35	-1.0	-50.27	293.50	0.78	-49.49
COCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060796	0	39	-1.0	-49.13	327.61	-0.17	-49.30
CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060797	0	32	-1.0	-50.00	272.20	-0.10	-50.10
O=C(NC[C@H]1CCCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005060798	0	36	-1.0	-50.00	304.74	1.50	-48.50
O=C(NC[C@H]1CCCN1C(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005060799	0	39	-1.0	-49.84	319.81	1.99	-47.85
O=C(CC1CC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060800	0	39	-1.0	-50.95	324.72	2.28	-48.67
CC(C)(F)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060801	0	38	-1.0	-51.32	309.41	1.95	-49.37
COCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060802	0	36	-1.0	-54.15	306.52	0.11	-54.04
CCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060803	0	38	-1.0	-49.82	315.43	1.53	-48.29
CC(C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060804	0	41	-1.0	-50.09	331.96	2.12	-47.97
CC1CC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060805	0	39	-1.0	-49.54	319.57	2.21	-47.33
CCOCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060806	0	39	-1.0	-54.19	328.38	1.07	-53.12
CC(C)=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060807	0	39	-1.0	-49.90	322.52	2.00	-47.90
CSCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060808	0	36	-1.0	-53.31	316.86	1.20	-52.11
CCCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060809	0	41	-1.0	-49.90	336.93	2.31	-47.59
CC(C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060810	0	38	-1.0	-52.65	308.47	2.01	-50.64
CCC(C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060811	0	41	-1.0	-53.23	326.83	2.67	-50.56
COC(C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060812	0	39	-1.0	-53.81	321.15	0.54	-53.27
C=CCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060813	0	39	-1.0	-50.05	327.84	2.10	-47.95
CC=C(C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060814	0	39	-1.0	-52.88	316.69	2.19	-50.69
CC1(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060815	0	39	-1.0	-53.55	315.75	2.54	-51.01
C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060816	0	39	-1.0	-50.31	325.03	2.17	-48.14
CCC(F)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060817	0	38	-1.0	-49.72	320.94	1.51	-48.21
O=C(CCCF)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060818	0	38	-1.0	-52.62	322.02	1.66	-50.96
C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060819	0	39	-1.0	-50.01	325.02	2.18	-47.83
NC(=O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060820	0	33	-1.0	-47.30	286.60	-3.94	-51.24
CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060821	0	41	-1.0	-53.74	317.87	2.21	-51.53
C=CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060822	0	36	-1.0	-50.45	306.40	1.32	-49.13
C[NH+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060823	0	41	0.0	-70.75	329.32	1.44	-69.31
CN(C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060823	1	40	-1.0	-50.26	327.43	-0.93	-51.19
C=CC(O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060824	0	37	-1.0	-50.08	310.36	-0.92	-51.00
O=C(NC[C@H]1CCCN1C(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005060825	0	37	-1.0	-50.21	310.10	-0.70	-50.91
CO[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060826	0	39	-1.0	-53.96	321.20	0.54	-53.42
CCC=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060827	0	39	-1.0	-50.21	326.97	2.11	-48.10
O=C(CO)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060829	0	33	-1.0	-55.33	284.00	-2.16	-57.49
CC(O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060830	0	36	-1.0	-53.53	296.04	-0.92	-54.45
O=C(NC[C@H]1CCCN1C(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005060831	0	36	-1.0	-53.62	310.93	1.57	-52.05
O=C(CCF)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060832	0	35	-1.0	-48.79	300.12	0.93	-47.86
O=C(C=CCF)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060833	0	36	-1.0	-52.59	312.10	1.45	-51.14
C#CCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060834	0	37	-1.0	-49.64	321.22	2.04	-47.60
O=C(NC[C@H]1CCCN1C(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005060835	0	37	-1.0	-53.77	308.02	0.14	-53.63
CC(C)(O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060836	0	39	-1.0	-50.61	314.36	-0.92	-51.53
CC1=CC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060837	0	37	-1.0	-50.64	318.26	2.20	-48.44
C[C@@H](O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060838	0	36	-1.0	-50.95	300.28	-1.62	-52.57
O=C(C=CCO)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060839	0	37	-1.0	-53.82	317.93	-2.00	-55.82
O=C(NC[C@H]1CCCN1C(=O)C1=CCC1)C1=CC(=O)[N-]O1	REAL250005060840	0	37	-1.0	-51.55	309.33	1.84	-49.71
CON=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060841	0	36	-1.0	-52.90	315.59	-0.75	-53.65
O=C(NC[C@H]1CCCN1C(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005060842	0	36	-1.0	-47.92	309.32	1.46	-46.46
CC=C(F)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060843	0	36	-1.0	-47.40	309.54	1.29	-46.11
CC(CO)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060844	0	39	-1.0	-52.07	316.99	-1.29	-53.36
C[C@H](O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060845	0	36	-1.0	-53.63	295.44	-0.93	-54.56
C=C1CC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060846	0	37	-1.0	-50.17	316.62	2.07	-48.10
CC(CF)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060847	0	38	-1.0	-50.93	313.34	2.08	-48.85
C=C(C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060848	0	39	-1.0	-50.38	328.32	1.93	-48.45
CC=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060849	0	36	-1.0	-50.84	306.63	1.34	-49.50
C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060850	0	39	-1.0	-50.31	325.03	2.17	-48.14
O=C(NC[C@H]1CCCN1C(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005060851	0	37	-1.0	-50.84	310.88	-1.06	-51.90
O=C(CC1CC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060852	0	39	-1.0	-54.29	322.26	2.16	-52.13
CC(C)(F)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060853	0	38	-1.0	-49.92	317.15	1.27	-48.65
COCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060854	0	36	-1.0	-56.99	303.02	-0.01	-57.00
CCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060855	0	38	-1.0	-54.53	312.68	1.36	-53.17
CC(C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060856	0	41	-1.0	-53.24	328.51	1.98	-51.26
CC1CC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060857	0	39	-1.0	-53.37	322.20	2.07	-51.30
CCOCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060858	0	39	-1.0	-58.08	325.75	0.92	-57.16
CC(C)=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060859	0	39	-1.0	-52.85	319.68	1.93	-50.92
CSCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060860	0	36	-1.0	-55.96	313.36	1.06	-54.90
CCCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060861	0	41	-1.0	-54.67	334.18	2.14	-52.53
CC(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060862	0	38	-1.0	-53.31	309.87	1.28	-52.03
CCC(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060863	0	41	-1.0	-54.44	328.79	1.93	-52.51
COC(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060864	0	39	-1.0	-56.89	322.81	0.70	-56.19
C=CCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060865	0	39	-1.0	-54.44	325.49	1.92	-52.52
CC(C#N)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060866	0	36	-1.0	-60.70	309.28	0.92	-59.78
CC=C(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060867	0	39	-1.0	-54.27	319.64	1.90	-52.37
CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060868	0	35	-1.0	-53.78	290.31	0.63	-53.15
COCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060869	0	39	-1.0	-52.71	323.96	-0.30	-53.01
CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060870	0	32	-1.0	-54.27	270.71	-0.16	-54.43
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005060871	0	36	-1.0	-54.35	301.71	1.38	-52.97
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005060872	0	39	-1.0	-53.44	316.99	1.90	-51.54
NC(=O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060873	0	33	-1.0	-49.37	285.67	-4.04	-53.41
CC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060874	0	41	-1.0	-53.41	328.77	1.86	-51.55
CC1(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060875	0	39	-1.0	-53.90	323.22	1.90	-52.00
C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060876	0	39	-1.0	-54.48	323.08	2.06	-52.42
CCC(F)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060877	0	38	-1.0	-52.92	318.08	1.43	-51.49
O=C(CCCF)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060878	0	38	-1.0	-56.50	318.38	1.53	-54.97
C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060879	0	39	-1.0	-53.80	323.24	2.07	-51.73
O=C(CO)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060880	0	33	-1.0	-59.79	281.65	-2.32	-62.11
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCO1	REAL250005060881	0	37	-1.0	-58.66	308.81	0.24	-58.42
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1COC1	REAL250005060882	0	37	-1.0	-54.48	308.49	-0.91	-55.39
O=C(C=CCO)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060883	0	37	-1.0	-57.36	314.98	-2.12	-59.48
CCC=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060884	0	39	-1.0	-53.52	324.97	2.00	-51.52
C#CCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060885	0	37	-1.0	-54.14	318.45	1.88	-52.26
C=CC(O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060886	0	37	-1.0	-54.81	315.13	-0.97	-55.78
CC(O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060887	0	36	-1.0	-58.32	301.44	-1.52	-59.84
CC(=O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060888	0	34	-1.0	-49.10	294.05	-0.20	-49.30
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(F)CC1	REAL250005060889	0	36	-1.0	-50.67	308.06	1.44	-49.23
CC=C(F)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060890	0	36	-1.0	-50.29	309.66	1.28	-49.01
CC(CO)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060891	0	39	-1.0	-52.77	320.44	-2.00	-54.77
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(O)CC1	REAL250005060892	0	37	-1.0	-52.75	309.14	-1.67	-54.42
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005060893	0	37	-1.0	-54.35	310.80	1.91	-52.44
CC(CF)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060894	0	38	-1.0	-51.73	315.84	1.42	-50.31
CC=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060895	0	36	-1.0	-54.72	304.69	1.22	-53.50
O=C(C=CCF)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060896	0	36	-1.0	-55.94	310.06	1.36	-54.58
C[C@H](O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060898	0	36	-1.0	-58.36	301.45	-1.53	-59.89
CON=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060899	0	36	-1.0	-55.34	312.77	-0.80	-56.14
C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060900	0	39	-1.0	-54.48	323.08	2.06	-52.42
CC(C)(O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060901	0	39	-1.0	-59.55	320.72	-0.83	-60.38
C=C(C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060902	0	39	-1.0	-53.40	324.57	1.82	-51.58
C=CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060903	0	36	-1.0	-53.93	303.21	1.17	-52.76
C[NH+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060904	0	41	0.0	-74.67	325.88	1.34	-73.33
CN(C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060904	1	40	-1.0	-55.07	324.68	-1.08	-56.15
N#CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060905	0	33	-1.0	-63.79	290.64	0.27	-63.52
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1F	REAL250005060906	0	36	-1.0	-58.22	305.51	1.50	-56.72
O=C(CCF)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060907	0	35	-1.0	-52.21	296.88	0.77	-51.44
CO[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060908	0	39	-1.0	-56.94	322.83	0.70	-56.24
C[C@@H](O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060909	0	36	-1.0	-53.79	301.11	-1.50	-55.29
C=C1CC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060910	0	37	-1.0	-53.65	315.37	1.99	-51.66
CC1=CC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060911	0	37	-1.0	-54.19	316.82	2.13	-52.06
C=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060912	0	33	-1.0	-54.18	283.14	0.37	-53.81
CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060913	0	34	-1.0	-48.28	291.32	-0.74	-49.02
COCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060914	0	38	-1.0	-47.89	324.99	-1.67	-49.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC1	REAL250005060915	0	35	-1.0	-48.02	301.83	0.03	-47.99
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCC1	REAL250005060916	0	38	-1.0	-47.87	318.05	0.53	-47.34
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCCC1	REAL250005060917	0	41	-1.0	-47.75	334.35	1.14	-46.61
CC(CNC(=O)CC1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060918	0	38	-1.0	-48.35	322.25	0.80	-47.55
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(C)F	REAL250005060919	0	37	-1.0	-46.77	316.99	-0.03	-46.80
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(F)F	REAL250005060920	0	34	-1.0	-45.10	303.17	-0.56	-45.66
COCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060921	0	35	-1.0	-51.35	304.04	-1.38	-52.73
CCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060922	0	37	-1.0	-48.05	312.82	0.03	-48.02
CC(CNC(=O)C1=CC=CO1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060923	0	35	-1.0	-48.42	310.94	-0.44	-48.86
CC(=O)NCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060924	0	38	-1.0	-50.05	329.98	-3.06	-53.11
CC(C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060925	0	40	-1.0	-47.58	329.54	0.61	-46.97
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC1C	REAL250005060926	0	38	-1.0	-47.89	323.20	0.70	-47.19
CCOCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060927	0	38	-1.0	-51.32	325.89	-0.42	-51.74
CC(C)=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060928	0	38	-1.0	-47.28	320.79	0.58	-46.70
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCCO1	REAL250005060929	0	39	-1.0	-51.64	327.34	-0.17	-51.81
CSCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060930	0	35	-1.0	-50.47	314.38	-0.31	-50.78
CC(C)CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060931	0	43	-1.0	-47.91	351.88	1.31	-46.60
CC(CNC(=O)C1=CC=CN1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060932	0	36	-1.0	-50.73	313.82	-0.65	-51.38
CC(CNC(=O)C1=COC=C1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060933	0	35	-1.0	-51.69	310.10	-0.45	-52.14
CCCCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060934	0	43	-1.0	-47.97	355.81	1.59	-46.38
CC(CNC(=O)CC(C)(C)C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060935	0	43	-1.0	-46.73	344.51	1.14	-45.59
CCCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060936	0	40	-1.0	-48.07	334.31	0.81	-47.26
CC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060937	0	37	-1.0	-47.82	310.87	-0.08	-47.90
CCC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060938	0	40	-1.0	-47.79	328.99	0.57	-47.22
CCC(CC)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060939	0	43	-1.0	-47.78	344.84	1.08	-46.70
CC(CNC(=O)C1=CC=NN1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060940	0	35	-1.0	-48.99	308.53	-1.94	-50.93
CCOC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060941	0	41	-1.0	-51.08	345.68	0.28	-50.80
CC(CNC(=O)C1=CNN=C1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060942	0	35	-1.0	-50.16	308.81	-1.99	-52.15
COCCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060943	0	41	-1.0	-50.68	346.49	-0.90	-51.58
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1=NOC=C1	REAL250005060944	0	34	-1.0	-49.00	305.41	-1.19	-50.19
CCC=C(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060945	0	41	-1.0	-48.04	340.02	1.33	-46.71
COC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060946	0	38	-1.0	-51.05	323.03	-0.63	-51.68
CC(C)OCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060947	0	41	-1.0	-51.24	346.17	0.31	-50.93
CCCOCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060948	0	41	-1.0	-51.16	347.39	0.38	-50.78
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCOC1	REAL250005060949	0	39	-1.0	-49.61	325.34	-1.42	-51.03
CCC(OC)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060950	0	41	-1.0	-49.85	345.03	0.16	-49.69
COC(C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060951	0	41	-1.0	-49.46	344.13	-0.13	-49.59
C=CCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060952	0	38	-1.0	-47.93	325.63	0.59	-47.34
CCOCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060953	0	41	-1.0	-47.78	346.85	-0.70	-48.48
COCC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060954	0	41	-1.0	-47.46	343.71	-0.96	-48.42
C=CCOCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060955	0	39	-1.0	-51.64	338.80	0.16	-51.48
CC(CNC(=O)C1=COC=N1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060956	0	34	-1.0	-48.99	305.72	-3.83	-52.82
CCCC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060957	0	43	-1.0	-47.78	350.49	1.33	-46.45
CC(CNC(=O)CCC1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060958	0	41	-1.0	-48.12	344.43	1.59	-46.53
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC=CC1	REAL250005060959	0	39	-1.0	-47.73	326.86	1.02	-46.71
CC(CNC(=O)CC1CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060960	0	41	-1.0	-48.11	339.23	1.32	-46.79
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)C1CC1	REAL250005060961	0	41	-1.0	-48.01	340.17	1.37	-46.64
CC=C(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060962	0	38	-1.0	-48.21	319.63	0.55	-47.66
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC(C)C1	REAL250005060963	0	41	-1.0	-47.59	337.79	1.13	-46.46
CC(CNC(=O)C=C1CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060964	0	39	-1.0	-48.20	330.48	1.26	-46.94
CC(C)=C(F)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060965	0	38	-1.0	-48.00	329.57	0.35	-47.65
CC(CNC(=O)C1=CCCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060966	0	39	-1.0	-47.97	327.90	1.13	-46.84
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC1(C)C	REAL250005060967	0	41	-1.0	-47.15	338.45	1.25	-45.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H]1CC1(C)C	REAL250005060968	0	41	-1.0	-47.15	338.45	1.25	-45.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1CCCO1	REAL250005060969	0	39	-1.0	-51.84	327.74	-0.16	-52.00
CCC(C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060970	0	43	-1.0	-47.59	347.77	1.28	-46.31
C#CCCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060971	0	39	-1.0	-50.80	340.10	1.33	-49.47
CC(CNC(=O)CC(C)(C)O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060972	0	41	-1.0	-50.78	338.30	-1.64	-52.42
CC(C)[C@@H](O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060973	0	41	-1.0	-48.16	338.49	-1.30	-49.46
CCC(C)=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060974	0	41	-1.0	-46.96	342.47	1.33	-45.63
CC(C)C#CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060975	0	39	-1.0	-48.48	340.71	1.29	-47.19
CC(CNC(=O)C#CC1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060976	0	37	-1.0	-48.58	330.40	1.46	-47.12
C=C(C)CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060977	0	41	-1.0	-47.65	346.98	1.24	-46.41
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(C)CC1	REAL250005060978	0	38	-1.0	-47.78	319.58	0.64	-47.14
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H]1CCCO1	REAL250005060979	0	39	-1.0	-51.75	327.73	-0.16	-51.91
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1=NNN=C1	REAL250005060980	0	34	-1.0	-47.36	304.23	-3.41	-50.77
CC(CNC(=O)C1=CN=NN1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060980	1	34	-1.0	-49.81	303.33	-3.33	-53.14
CC(CNC(=O)CC1(C)CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060981	0	41	-1.0	-47.72	342.26	1.29	-46.43
CC(CNC(=O)C1=CN=CO1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060982	0	34	-1.0	-49.19	305.72	-3.73	-52.92
C=CC(C)(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060983	0	41	-1.0	-48.05	338.51	0.89	-47.16
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1C[C@H]1C	REAL250005060984	0	38	-1.0	-47.91	323.21	0.70	-47.21
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(C)CCC1	REAL250005060985	0	41	-1.0	-47.82	335.25	1.06	-46.76
CCC(F)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060986	0	37	-1.0	-48.72	319.09	0.06	-48.66
CC(CNC(=O)CCCF)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060987	0	37	-1.0	-50.77	319.41	0.16	-50.61
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H]1C[C@@H]1C	REAL250005060988	0	38	-1.0	-47.86	323.22	0.70	-47.16
C=CCCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060989	0	41	-1.0	-48.40	347.12	1.37	-47.03
CCC(C)(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060990	0	43	-1.0	-47.85	343.98	0.99	-46.86
CC(CNC(=O)C(N)=O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060991	0	32	-1.0	-46.77	286.67	-5.40	-52.17
CC(CNC(=O)CC1CC1C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060992	0	41	-1.0	-48.32	343.63	1.47	-46.85
CCC1(C(=O)NCC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005060993	0	41	-1.0	-47.96	344.46	1.23	-46.73
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(CF)CC1	REAL250005060994	0	38	-1.0	-47.32	324.30	0.73	-46.59
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(C)C	REAL250005060995	0	40	-1.0	-47.74	329.75	0.50	-47.24
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)C(C)C	REAL250005060996	0	43	-1.0	-47.16	344.89	1.13	-46.03
CC[C@@H]1C[C@H]1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005060997	0	41	-1.0	-47.87	344.61	1.47	-46.40
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC12CC2	REAL250005060998	0	39	-1.0	-48.26	334.28	1.50	-46.76
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1CC(=O)N1	REAL250005060999	0	36	-1.0	-56.26	315.77	-4.39	-60.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H]1CC(=O)N1	REAL250005061000	0	36	-1.0	-55.72	316.26	-4.06	-59.78
COC1(C(=O)NCC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061001	0	39	-1.0	-46.28	332.49	-0.92	-47.20
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CSC1	REAL250005061002	0	36	-1.0	-48.26	317.92	0.18	-48.08
C=CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061003	0	35	-1.0	-48.43	304.23	-0.20	-48.63
CC(CNC(=O)C[NH+](C)C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061004	0	40	0.0	-71.74	326.91	-0.03	-71.77
CC(CNC(=O)CN(C)C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061004	1	39	-1.0	-48.51	324.82	-2.41	-50.92
C=CC(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061005	0	36	-1.0	-48.50	315.33	-2.33	-50.83
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1COC1	REAL250005061006	0	36	-1.0	-48.73	308.68	-2.24	-50.97
CO[C@H](C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061007	0	38	-1.0	-51.05	323.83	-0.66	-51.71
CC=CC(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061008	0	39	-1.0	-48.22	337.03	-1.47	-49.69
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)[NH+](C)C	REAL250005061009	0	43	0.0	-69.69	345.01	0.37	-69.32
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)N(C)C	REAL250005061009	1	42	-1.0	-48.27	338.98	-2.03	-50.30
CCC=C(F)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061010	0	38	-1.0	-45.38	330.17	0.67	-44.71
CCC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061011	0	38	-1.0	-47.95	325.98	0.63	-47.32
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(C)CO	REAL250005061013	0	41	-1.0	-47.81	339.10	-2.71	-50.52
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(F)CCC1	REAL250005061014	0	38	-1.0	-46.01	324.42	0.58	-45.43
CC(CNC(=O)CO)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061015	0	32	-1.0	-52.96	281.79	-3.66	-56.62
CC(CNC(=O)C=CC(N)=O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061016	0	36	-1.0	-50.51	321.28	-4.09	-54.60
CC(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061017	0	35	-1.0	-48.96	302.12	-2.87	-51.83
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(O)CCC1	REAL250005061018	0	39	-1.0	-48.03	326.09	-2.49	-50.52
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(O)C1CC1	REAL250005061019	0	39	-1.0	-48.10	334.10	-1.33	-49.43
C=CCC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061020	0	41	-1.0	-47.57	343.50	1.16	-46.41
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC1F	REAL250005061021	0	35	-1.0	-51.69	308.04	0.10	-51.59
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)[NH+](C)C	REAL250005061022	0	43	0.0	-69.69	345.01	0.37	-69.32
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)N(C)C	REAL250005061022	1	42	-1.0	-48.27	338.98	-2.03	-50.30
CC(CNC(=O)CCF)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061023	0	34	-1.0	-47.45	297.91	-0.60	-48.05
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(O)COC1	REAL250005061024	0	37	-1.0	-50.43	317.09	-5.27	-55.70
CC(C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005061025	0	39	-1.0	-48.75	334.09	1.51	-47.24
CCC1CC1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061026	0	41	-1.0	-47.85	344.62	1.47	-46.38
CC(CNC(=O)CC1(O)CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061027	0	39	-1.0	-51.91	332.90	-2.69	-54.60
CC(CNC(=O)C=CCF)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061028	0	35	-1.0	-50.15	311.08	-0.01	-50.16
C#CCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061029	0	36	-1.0	-48.16	318.60	0.54	-47.62
CC(CNC(=O)CN1CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061030	0	40	-1.0	-49.50	332.68	-2.82	-52.32
CC(CNC(=O)C[NH+]1CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061030	1	41	0.0	-71.59	337.00	0.40	-71.19
C#C[C@H]1C[C@H]1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061031	0	37	-1.0	-50.84	324.70	1.19	-49.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1C2CCC21	REAL250005061032	0	39	-1.0	-47.89	324.53	1.36	-46.53
C=C1CCC1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061033	0	39	-1.0	-47.65	331.61	1.03	-46.62
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1[C@H](C)[C@@H]1C	REAL250005061034	0	41	-1.0	-47.79	339.69	1.25	-46.54
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H](C)[NH+](C)C	REAL250005061035	0	43	0.0	-69.69	345.04	0.39	-69.30
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H](C)N(C)C	REAL250005061035	1	42	-1.0	-48.32	338.67	-2.06	-50.38
CC=CC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061036	0	39	-1.0	-48.16	340.06	1.30	-46.86
COCC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061037	0	39	-1.0	-50.15	338.25	-1.09	-51.24
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(C)COC1	REAL250005061038	0	39	-1.0	-48.26	327.01	-1.64	-49.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCO1	REAL250005061039	0	36	-1.0	-51.32	308.84	-1.19	-52.51
CC(CNC(=O)CCN=[N+]=[N-])CNC(=O)C1=CC(=O)[N-]O1	REAL250005061040	0	36	-1.0	-47.48	321.44	-4.12	-51.60
C#CCOCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061041	0	37	-1.0	-54.14	331.68	0.12	-54.02
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(C)O	REAL250005061042	0	38	-1.0	-46.58	321.80	-3.32	-49.90
CC1=CC1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061043	0	36	-1.0	-48.63	316.88	0.72	-47.91
CC(CNC(=O)C(=O)N(C)C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061044	0	38	-1.0	-46.34	323.45	-1.89	-48.23
CSC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061045	0	36	-1.0	-47.61	326.94	0.17	-47.44
CCC(C)(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061046	0	41	-1.0	-46.53	338.42	-2.64	-49.17
CC[N@H+](C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061047	0	43	0.0	-70.97	344.64	0.64	-70.33
CC[N@@H+](C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061047	1	43	0.0	-71.02	344.63	0.65	-70.37
CCN(C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061047	1	42	-1.0	-48.41	342.79	-1.62	-50.03
C=C1CC(C(=O)NCC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061048	0	39	-1.0	-47.50	331.57	1.04	-46.46
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCC1F	REAL250005061049	0	38	-1.0	-51.71	322.08	0.63	-51.08
CC(CNC(=O)C1=CN=CN1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061050	0	35	-1.0	-52.09	308.64	-0.90	-52.99
CC(CNC(=O)C1=CCCO1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061051	0	37	-1.0	-47.14	319.41	-0.85	-47.99
CCC[C@H](O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061052	0	41	-1.0	-48.38	344.10	-1.26	-49.64
CC(C)[C@H](O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061053	0	41	-1.0	-48.26	338.40	-1.35	-49.61
CCOC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061054	0	39	-1.0	-47.71	337.96	-0.51	-48.22
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H](C)O	REAL250005061055	0	35	-1.0	-49.01	302.12	-2.87	-51.88
CC(CNC(=O)C=CCO)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061056	0	36	-1.0	-51.48	316.00	-3.49	-54.97
COC(C)(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061057	0	41	-1.0	-51.36	335.77	-0.19	-51.55
CC(CNC(=O)CCCCO)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061058	0	41	-1.0	-49.37	345.73	-2.54	-51.91
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(CO)CC1	REAL250005061059	0	39	-1.0	-51.57	334.28	-2.81	-54.38
COC(F)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061060	0	35	-1.0	-51.31	309.94	-1.91	-53.22
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C12CC1CC2	REAL250005061061	0	39	-1.0	-48.13	330.29	1.23	-46.90
C=C[C@H](C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061062	0	41	-1.0	-47.43	342.34	1.14	-46.29
CC(CNC(=O)C=CC1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061063	0	39	-1.0	-47.96	336.88	1.45	-46.51
CC=C(CC)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061064	0	41	-1.0	-47.81	340.67	1.26	-46.55
C=CC(C)(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061065	0	39	-1.0	-46.82	331.98	-2.58	-49.40
CC(CNC(=O)C1=CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061066	0	36	-1.0	-48.71	312.33	0.61	-48.10
CON=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061067	0	35	-1.0	-50.82	313.78	-2.17	-52.99
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(F)CC1	REAL250005061068	0	35	-1.0	-45.70	307.90	0.09	-45.61
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1=NOCC1	REAL250005061069	0	36	-1.0	-46.86	315.36	-1.89	-48.75
C#CC(C)(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061070	0	39	-1.0	-50.44	335.58	0.94	-49.50
CC(CNC(=O)COC1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061071	0	39	-1.0	-52.17	336.27	0.37	-51.80
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1=NC=CN1	REAL250005061072	0	35	-1.0	-48.94	309.77	-1.70	-50.64
CCCC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061073	0	41	-1.0	-47.82	347.48	1.41	-46.41
CC=C(F)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061074	0	35	-1.0	-45.59	309.86	-0.07	-45.66
CCC(CO)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061075	0	41	-1.0	-47.83	337.35	-2.31	-50.14
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)CO	REAL250005061076	0	38	-1.0	-47.88	321.45	-3.36	-51.24
CC(CNC(=O)C1=CON=C1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061077	0	34	-1.0	-48.88	305.04	-1.01	-49.89
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1C[C@H]1CF	REAL250005061078	0	38	-1.0	-49.92	329.86	0.84	-49.08
C#CC1(C(=O)NCC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061079	0	37	-1.0	-47.11	327.53	1.10	-46.01
CC(CNC(=O)C1=COCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061080	0	37	-1.0	-48.49	318.01	-0.89	-49.38
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)O	REAL250005061081	0	35	-1.0	-49.02	302.12	-2.87	-51.89
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1C=CCC1	REAL250005061082	0	39	-1.0	-47.57	326.88	1.06	-46.51
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)C(C)O	REAL250005061083	0	41	-1.0	-51.03	338.36	-1.66	-52.69
C=C1CC1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061084	0	36	-1.0	-48.03	315.41	0.60	-47.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)CF	REAL250005061085	0	37	-1.0	-46.92	316.67	0.05	-46.87
C=C(C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061086	0	38	-1.0	-48.13	325.58	0.45	-47.68
CC(C)=C(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061087	0	41	-1.0	-47.40	335.80	1.26	-46.14
CCCC(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061088	0	41	-1.0	-48.39	344.11	-1.26	-49.65
CCC(O)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061089	0	41	-1.0	-51.40	343.49	-1.59	-52.99
CC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061090	0	35	-1.0	-48.17	304.89	-0.13	-48.30
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(C)CC1F	REAL250005061091	0	38	-1.0	-47.17	325.80	0.72	-46.45
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H]1C[C@@H](O)C1	REAL250005061092	0	39	-1.0	-51.68	329.45	-2.88	-54.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1C[C@H]1C	REAL250005061093	0	38	-1.0	-47.91	323.21	0.70	-47.21
CNC(=O)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061094	0	38	-1.0	-59.69	327.41	-1.69	-61.38
C=CC=CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061095	0	39	-1.0	-48.87	339.48	1.23	-47.64
CC(CNC(=O)CCC(N)=O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061096	0	38	-1.0	-50.19	329.00	-3.91	-54.10
CC(O)CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061097	0	41	-1.0	-48.21	344.62	-2.48	-50.69
C#CCC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061098	0	39	-1.0	-47.70	336.47	1.10	-46.60
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)CCO	REAL250005061099	0	41	-1.0	-51.47	340.42	-2.79	-54.26
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](O)CF	REAL250005061100	0	35	-1.0	-49.98	308.42	-2.70	-52.68
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(O)CC1	REAL250005061101	0	36	-1.0	-47.72	310.15	-3.04	-50.76
CC(CNC(=O)CC1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061102	0	38	-1.0	-48.35	322.25	0.80	-47.55
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(C)F	REAL250005061103	0	37	-1.0	-46.77	316.99	-0.03	-46.80
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(F)F	REAL250005061104	0	34	-1.0	-45.10	303.17	-0.56	-45.66
COCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061105	0	35	-1.0	-51.35	304.04	-1.38	-52.73
CCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061106	0	37	-1.0	-48.05	312.82	0.03	-48.02
CC(CNC(=O)C1=CC=CO1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061107	0	35	-1.0	-48.42	310.94	-0.44	-48.86
CC(=O)NCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061108	0	38	-1.0	-50.05	329.98	-3.06	-53.11
CC(C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061109	0	40	-1.0	-47.58	329.54	0.61	-46.97
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC1C	REAL250005061110	0	38	-1.0	-47.89	323.20	0.70	-47.19
CCOCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061111	0	38	-1.0	-51.32	325.89	-0.42	-51.74
CC(C)=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061112	0	38	-1.0	-47.28	320.79	0.58	-46.70
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCCO1	REAL250005061113	0	39	-1.0	-51.64	327.34	-0.17	-51.81
CSCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061114	0	35	-1.0	-50.47	314.38	-0.31	-50.78
CC(C)CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061115	0	43	-1.0	-47.91	351.88	1.31	-46.60
CC(CNC(=O)C1=CC=CN1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061116	0	36	-1.0	-50.73	313.82	-0.65	-51.38
CC(CNC(=O)C1=COC=C1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061117	0	35	-1.0	-51.69	310.10	-0.45	-52.14
CCCCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061118	0	43	-1.0	-47.97	355.81	1.59	-46.38
CC(CNC(=O)CC(C)(C)C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061119	0	43	-1.0	-46.73	344.51	1.14	-45.59
CCCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061120	0	40	-1.0	-48.07	334.31	0.81	-47.26
CC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061121	0	37	-1.0	-47.82	310.87	-0.08	-47.90
CCC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061122	0	40	-1.0	-47.79	328.99	0.57	-47.22
CCC(CC)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061123	0	43	-1.0	-47.78	344.84	1.08	-46.70
CC(CNC(=O)C1=CC=NN1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061124	0	35	-1.0	-48.99	308.53	-1.94	-50.93
CCOC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061125	0	41	-1.0	-51.08	345.68	0.28	-50.80
CC(CNC(=O)C1=CNN=C1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061126	0	35	-1.0	-50.16	308.81	-1.99	-52.15
COCCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061127	0	41	-1.0	-50.68	346.49	-0.90	-51.58
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1=NOC=C1	REAL250005061128	0	34	-1.0	-49.00	305.41	-1.19	-50.19
CCC=C(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061129	0	41	-1.0	-48.04	340.02	1.33	-46.71
COC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061130	0	38	-1.0	-51.05	323.03	-0.63	-51.68
CC(C)OCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061131	0	41	-1.0	-51.24	346.17	0.31	-50.93
CCCOCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061132	0	41	-1.0	-51.16	347.39	0.38	-50.78
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCOC1	REAL250005061133	0	39	-1.0	-49.61	325.34	-1.42	-51.03
CCC(OC)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061134	0	41	-1.0	-49.85	345.03	0.16	-49.69
COC(C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061135	0	41	-1.0	-49.46	344.13	-0.13	-49.59
C=CCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061136	0	38	-1.0	-47.93	325.63	0.59	-47.34
CCOCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061137	0	41	-1.0	-47.78	346.85	-0.70	-48.48
COCC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061138	0	41	-1.0	-47.46	343.71	-0.96	-48.42
C=CCOCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061139	0	39	-1.0	-51.64	338.80	0.16	-51.48
CC(CNC(=O)C1=COC=N1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061140	0	34	-1.0	-48.99	305.72	-3.83	-52.82
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)C#N	REAL250005061141	0	35	-1.0	-55.24	310.30	-0.45	-55.69
CCCC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061142	0	43	-1.0	-47.78	350.49	1.33	-46.45
CC(CNC(=O)CCC1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061143	0	41	-1.0	-48.12	344.43	1.59	-46.53
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC=CC1	REAL250005061144	0	39	-1.0	-47.73	326.86	1.02	-46.71
CC(CNC(=O)CC1CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061145	0	41	-1.0	-48.11	339.23	1.32	-46.79
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)C1CC1	REAL250005061146	0	41	-1.0	-48.01	340.17	1.37	-46.64
CC=C(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061147	0	38	-1.0	-48.21	319.63	0.55	-47.66
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC(C)C1	REAL250005061148	0	41	-1.0	-47.59	337.79	1.13	-46.46
CC(CNC(=O)C=C1CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061149	0	39	-1.0	-48.20	330.48	1.26	-46.94
CC(C)=C(F)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061150	0	38	-1.0	-48.00	329.57	0.35	-47.65
CC(CNC(=O)C1=CCCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061151	0	39	-1.0	-47.97	327.90	1.13	-46.84
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC1(C)C	REAL250005061152	0	41	-1.0	-47.15	338.45	1.25	-45.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H]1CC1(C)C	REAL250005061153	0	41	-1.0	-47.15	338.45	1.25	-45.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1CCCO1	REAL250005061154	0	39	-1.0	-51.84	327.74	-0.16	-52.00
CCC(C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061155	0	43	-1.0	-47.59	347.77	1.28	-46.31
C#CCCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061156	0	39	-1.0	-50.80	340.10	1.33	-49.47
CC(CNC(=O)CC(C)(C)O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061157	0	41	-1.0	-50.78	338.30	-1.64	-52.42
CC(C)[C@@H](O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061158	0	41	-1.0	-48.16	338.49	-1.30	-49.46
CCC(C)=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061159	0	41	-1.0	-46.96	342.47	1.33	-45.63
CC(C)C#CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061160	0	39	-1.0	-48.48	340.71	1.29	-47.19
CC(CNC(=O)C#CC1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061161	0	37	-1.0	-48.58	330.40	1.46	-47.12
CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061162	0	34	-1.0	-48.28	291.32	-0.74	-49.02
COCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061163	0	38	-1.0	-47.89	324.99	-1.67	-49.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC1	REAL250005061164	0	35	-1.0	-48.02	301.83	0.03	-47.99
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCC1	REAL250005061165	0	38	-1.0	-47.87	318.05	0.53	-47.34
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCCC1	REAL250005061166	0	41	-1.0	-47.75	334.35	1.14	-46.61
C=CCCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061167	0	41	-1.0	-48.40	347.12	1.37	-47.03
CCC(C)(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061168	0	43	-1.0	-47.85	343.98	0.99	-46.86
CC(CNC(=O)C(N)=O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061169	0	32	-1.0	-46.77	286.67	-5.40	-52.17
CC(CNC(=O)CC1CC1C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061170	0	41	-1.0	-48.32	343.63	1.47	-46.85
CCC1(C(=O)NCC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061171	0	41	-1.0	-47.96	344.46	1.23	-46.73
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(C)C	REAL250005061172	0	40	-1.0	-47.74	329.75	0.50	-47.24
C=C(C)CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061173	0	41	-1.0	-47.65	346.98	1.24	-46.41
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(CF)CC1	REAL250005061174	0	38	-1.0	-47.32	324.30	0.73	-46.59
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)C(C)C	REAL250005061175	0	43	-1.0	-47.16	344.89	1.13	-46.03
CC[C@@H]1C[C@H]1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061176	0	41	-1.0	-47.87	344.61	1.47	-46.40
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC12CC2	REAL250005061177	0	39	-1.0	-48.26	334.28	1.50	-46.76
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H]1CCCO1	REAL250005061178	0	39	-1.0	-51.75	327.73	-0.16	-51.91
CC(CNC(=O)CC1(C)CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061179	0	41	-1.0	-47.72	342.26	1.29	-46.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(C)CC1	REAL250005061180	0	38	-1.0	-47.78	319.58	0.64	-47.14
CC(CNC(=O)C1=CNC=C1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061181	0	36	-1.0	-53.71	313.95	-0.56	-54.27
CC(CNC(=O)C1=CN=CO1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061182	0	34	-1.0	-49.19	305.72	-3.73	-52.92
C=CC(C)(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061183	0	41	-1.0	-48.05	338.51	0.89	-47.16
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1C[C@H]1C	REAL250005061184	0	38	-1.0	-47.91	323.21	0.70	-47.21
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(C)CCC1	REAL250005061185	0	41	-1.0	-47.82	335.25	1.06	-46.76
CCC(F)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061186	0	37	-1.0	-48.72	319.09	0.06	-48.66
CC(CNC(=O)CCCF)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061187	0	37	-1.0	-50.77	319.41	0.16	-50.61
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H]1C[C@@H]1C	REAL250005061188	0	38	-1.0	-47.86	323.22	0.70	-47.16
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1=NNN=C1	REAL250005061189	0	34	-1.0	-47.36	304.23	-3.41	-50.77
CC(CNC(=O)C1=CN=NN1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061189	1	34	-1.0	-49.81	303.33	-3.33	-53.14
CC(CNC(=O)CO)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061190	0	32	-1.0	-52.96	281.79	-3.66	-56.62
CC(CNC(=O)C=CC(N)=O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061191	0	36	-1.0	-50.51	321.28	-4.09	-54.60
COC(=O)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061192	0	37	-1.0	-55.94	323.26	0.23	-55.71
CSC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061193	0	36	-1.0	-47.61	326.94	0.17	-47.44
CC(CNC(=O)CCC(N)=O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061194	0	38	-1.0	-50.19	329.00	-3.91	-54.10
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCO1	REAL250005061195	0	36	-1.0	-51.32	308.84	-1.19	-52.51
CC(CNC(=O)C1=CCCO1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061196	0	37	-1.0	-47.14	319.41	-0.85	-47.99
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1COC1	REAL250005061197	0	36	-1.0	-48.73	308.68	-2.24	-50.97
CC(CNC(=O)C=CCO)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061198	0	36	-1.0	-51.48	316.00	-3.49	-54.97
CC=CC(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061199	0	39	-1.0	-48.22	337.03	-1.47	-49.69
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)[NH+](C)C	REAL250005061200	0	43	0.0	-69.69	345.01	0.37	-69.32
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)N(C)C	REAL250005061200	1	42	-1.0	-48.27	338.98	-2.03	-50.30
CCC=C(F)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061201	0	38	-1.0	-45.38	330.17	0.67	-44.71
CCC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061202	0	38	-1.0	-47.95	325.98	0.63	-47.32
CC(CNC(=O)CCN=[N+]=[N-])CNC(=O)C1=CC(=O)[N-]O1	REAL250005061203	0	36	-1.0	-47.48	321.44	-4.12	-51.60
C#CCOCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061204	0	37	-1.0	-54.14	331.68	0.12	-54.02
CC(O)CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061205	0	41	-1.0	-48.21	344.62	-2.48	-50.69
C#CCCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061206	0	36	-1.0	-48.16	318.60	0.54	-47.62
CC=CC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061207	0	39	-1.0	-48.16	340.06	1.30	-46.86
COCC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061208	0	39	-1.0	-50.15	338.25	-1.09	-51.24
CCC(C)(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061209	0	41	-1.0	-46.53	338.42	-2.64	-49.17
C#CCC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061210	0	39	-1.0	-47.70	336.47	1.10	-46.60
C=CC(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061211	0	36	-1.0	-48.50	315.33	-2.33	-50.83
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C12CC1CC2	REAL250005061212	0	39	-1.0	-48.13	330.29	1.23	-46.90
C=C[C@H](C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061213	0	41	-1.0	-47.43	342.34	1.14	-46.29
CC(CNC(=O)C=CC1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061214	0	39	-1.0	-47.96	336.88	1.45	-46.51
CCC(C#N)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061215	0	38	-1.0	-49.37	330.93	0.19	-49.18
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1C2CCC21	REAL250005061216	0	39	-1.0	-47.89	324.53	1.36	-46.53
C=C1CCC1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061217	0	39	-1.0	-47.65	331.61	1.03	-46.62
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1[C@H](C)[C@@H]1C	REAL250005061218	0	41	-1.0	-47.79	339.69	1.25	-46.54
CC[N@H+](C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061219	0	43	0.0	-70.97	344.64	0.64	-70.33
CC[N@@H+](C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061219	1	43	0.0	-71.02	344.63	0.65	-70.37
CCN(C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061219	1	42	-1.0	-48.41	342.79	-1.62	-50.03
CC(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061220	0	35	-1.0	-48.96	302.12	-2.87	-51.83
CC(=O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061221	0	33	-1.0	-45.81	293.58	-1.59	-47.40
CC(CNC(=O)CCCC#N)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061222	0	38	-1.0	-56.48	333.67	0.54	-55.94
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(C#N)CC1	REAL250005061223	0	36	-1.0	-47.74	321.09	0.29	-47.45
C=C1CC(C(=O)NCC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061224	0	39	-1.0	-47.50	331.57	1.04	-46.46
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(F)CC1	REAL250005061225	0	35	-1.0	-45.70	307.90	0.09	-45.61
COC(C)(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061226	0	41	-1.0	-51.36	335.77	-0.19	-51.55
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)CC#N	REAL250005061227	0	38	-1.0	-49.31	330.05	0.29	-49.02
CCC1CC1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061228	0	41	-1.0	-47.85	344.62	1.47	-46.38
C=CC(C)(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061229	0	39	-1.0	-46.82	331.98	-2.58	-49.40
CCCC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061230	0	41	-1.0	-47.82	347.48	1.41	-46.41
CC=C(F)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061231	0	35	-1.0	-45.59	309.86	-0.07	-45.66
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H](C)[NH+](C)C	REAL250005061232	0	43	0.0	-69.69	345.04	0.39	-69.30
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H](C)N(C)C	REAL250005061232	1	42	-1.0	-48.32	338.67	-2.06	-50.38
CCOC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061233	0	39	-1.0	-47.71	337.96	-0.51	-48.22
CC(=O)OCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061234	0	37	-1.0	-51.23	327.39	0.21	-51.02
CC(=O)C=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061235	0	37	-1.0	-49.01	328.28	-0.24	-49.25
CC(CNC(=O)COC1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061236	0	39	-1.0	-52.17	336.27	0.37	-51.80
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1=NC=CN1	REAL250005061237	0	35	-1.0	-48.94	309.77	-1.70	-50.64
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)CO	REAL250005061238	0	38	-1.0	-47.88	321.45	-3.36	-51.24
CC(CNC(=O)C1=CON=C1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061239	0	34	-1.0	-48.88	305.04	-1.01	-49.89
CC(CNC(=O)CCCCO)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061240	0	41	-1.0	-49.37	345.73	-2.54	-51.91
CC(CNC(=O)C(=O)C1CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061241	0	37	-1.0	-45.62	324.65	0.00	-45.62
CC(CNC(=O)CC1(O)CC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061242	0	39	-1.0	-51.91	332.90	-2.69	-54.60
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CCC1F	REAL250005061243	0	38	-1.0	-51.71	322.08	0.63	-51.08
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1C[C@H]1CF	REAL250005061244	0	38	-1.0	-49.92	329.86	0.84	-49.08
CCC(CO)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061245	0	41	-1.0	-47.83	337.35	-2.31	-50.14
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1C[C@@H]1C#N	REAL250005061246	0	36	-1.0	-58.44	318.82	0.33	-58.11
CC(CNC(=O)C1=COCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061247	0	37	-1.0	-48.49	318.01	-0.89	-49.38
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(O)CC1	REAL250005061248	0	36	-1.0	-47.72	310.15	-3.04	-50.76
CC(CNC(=O)C1=CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061249	0	36	-1.0	-48.71	312.33	0.61	-48.10
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)CF	REAL250005061250	0	37	-1.0	-46.92	316.67	0.05	-46.87
CC=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061251	0	35	-1.0	-48.17	304.89	-0.13	-48.30
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(C)CC1F	REAL250005061252	0	38	-1.0	-47.17	325.80	0.72	-46.45
CC(CNC(=O)C=CCF)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061253	0	35	-1.0	-50.15	311.08	-0.01	-50.16
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(CO)CC1	REAL250005061254	0	39	-1.0	-51.57	334.28	-2.81	-54.38
CC(CNC(=O)C1=CC=NO1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061255	0	34	-1.0	-47.18	305.42	-1.00	-48.18
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)O	REAL250005061257	0	35	-1.0	-49.02	302.12	-2.87	-51.89
CON=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061258	0	35	-1.0	-50.82	313.78	-2.17	-52.99
CC(C)[C@H](O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061259	0	41	-1.0	-48.26	338.40	-1.35	-49.61
C#CC1(C(=O)NCC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061260	0	37	-1.0	-47.11	327.53	1.10	-46.01
C=CC=CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061261	0	39	-1.0	-48.87	339.48	1.23	-47.64
C#C[C@H]1C[C@H]1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061262	0	37	-1.0	-50.84	324.70	1.19	-49.65
CC=C(CC)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061263	0	41	-1.0	-47.81	340.67	1.26	-46.55
COC(F)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061264	0	35	-1.0	-51.31	309.94	-1.91	-53.22
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1C[C@H]1C#N	REAL250005061265	0	36	-1.0	-50.10	322.82	0.45	-49.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H]1C[C@@H](O)C1	REAL250005061266	0	39	-1.0	-51.68	329.45	-2.88	-54.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(C)CO	REAL250005061267	0	41	-1.0	-47.81	339.10	-2.71	-50.52
C=CCC(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061268	0	41	-1.0	-47.57	343.50	1.16	-46.41
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1C[C@H]1C	REAL250005061269	0	38	-1.0	-47.91	323.21	0.70	-47.21
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(C)O	REAL250005061270	0	38	-1.0	-46.58	321.80	-3.32	-49.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1=NOCC1	REAL250005061271	0	36	-1.0	-46.86	315.36	-1.89	-48.75
CC(C#N)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061272	0	38	-1.0	-49.13	328.86	0.29	-48.84
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)CCO	REAL250005061273	0	41	-1.0	-51.47	340.42	-2.79	-54.26
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](O)CF	REAL250005061274	0	35	-1.0	-49.98	308.42	-2.70	-52.68
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(O)CCC1	REAL250005061275	0	39	-1.0	-48.03	326.09	-2.49	-50.52
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(O)C1CC1	REAL250005061276	0	39	-1.0	-48.10	334.10	-1.33	-49.43
C=C(C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061277	0	38	-1.0	-48.13	325.58	0.45	-47.68
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)(C)C#N	REAL250005061278	0	38	-1.0	-54.48	329.15	0.06	-54.42
CC(C)=C(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061279	0	41	-1.0	-47.40	335.80	1.26	-46.14
CNC(=O)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061280	0	38	-1.0	-59.69	327.41	-1.69	-61.38
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC(F)C1	REAL250005061281	0	38	-1.0	-47.37	324.66	0.62	-46.75
C=CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061282	0	35	-1.0	-48.43	304.23	-0.20	-48.63
CC(CNC(=O)C[NH+](C)C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061283	0	40	0.0	-71.74	326.91	-0.03	-71.77
CC(CNC(=O)CN(C)C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061283	1	39	-1.0	-48.51	324.82	-2.41	-50.92
CC(CNC(=O)CC#N)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061284	0	32	-1.0	-57.21	290.78	-1.07	-58.28
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC1F	REAL250005061285	0	35	-1.0	-51.69	308.04	0.10	-51.59
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)[NH+](C)C	REAL250005061286	0	43	0.0	-69.69	345.01	0.37	-69.32
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)N(C)C	REAL250005061286	1	42	-1.0	-48.27	338.98	-2.03	-50.30
CC(CNC(=O)CCF)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061287	0	34	-1.0	-47.45	297.91	-0.60	-48.05
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1C=CCC1	REAL250005061288	0	39	-1.0	-47.57	326.88	1.06	-46.51
C#CC(C)(C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061289	0	39	-1.0	-50.44	335.58	0.94	-49.50
CO[C@H](C)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061290	0	38	-1.0	-51.05	323.83	-0.66	-51.71
CC(=O)CCC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061291	0	39	-1.0	-48.53	335.90	-0.07	-48.60
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H](C)O	REAL250005061292	0	35	-1.0	-49.01	302.12	-2.87	-51.88
CC(CNC(=O)CN1CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061293	0	40	-1.0	-49.50	332.68	-2.82	-52.32
CC(CNC(=O)C[NH+]1CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061293	1	41	0.0	-71.59	337.00	0.40	-71.19
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C(C)C(C)O	REAL250005061294	0	41	-1.0	-51.03	338.36	-1.66	-52.69
C=C1CC1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061295	0	36	-1.0	-48.03	315.41	0.60	-47.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(C)COC1	REAL250005061296	0	39	-1.0	-48.26	327.01	-1.64	-49.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC(=O)N1	REAL250005061297	0	36	-1.0	-55.68	316.27	-4.05	-59.73
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H]1CC(=O)N1	REAL250005061298	0	36	-1.0	-56.26	315.77	-4.39	-60.65
CCC[C@H](O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061299	0	41	-1.0	-48.38	344.10	-1.26	-49.64
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(F)CCC1	REAL250005061300	0	38	-1.0	-46.01	324.42	0.58	-45.43
CC(CNC(=O)C1=CN=CN1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061301	0	35	-1.0	-52.09	308.64	-0.90	-52.99
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC(=O)C1	REAL250005061302	0	37	-1.0	-50.28	320.78	-0.39	-50.67
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1(O)COC1	REAL250005061303	0	37	-1.0	-50.43	317.09	-5.27	-55.70
CC(C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005061304	0	39	-1.0	-48.75	334.09	1.51	-47.24
CC1=CC1C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061305	0	36	-1.0	-48.63	316.88	0.72	-47.91
CC(CNC(=O)C(=O)N(C)C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061306	0	38	-1.0	-46.34	323.45	-1.89	-48.23
CCCC(O)C(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061307	0	41	-1.0	-48.39	344.11	-1.26	-49.65
CCC(O)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061308	0	41	-1.0	-51.40	343.49	-1.59	-52.99
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H]1CC(=O)N1	REAL250005061309	0	36	-1.0	-55.72	316.26	-4.06	-59.78
COC1(C(=O)NCC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061310	0	39	-1.0	-46.28	332.49	-0.92	-47.20
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CSC1	REAL250005061311	0	36	-1.0	-48.26	317.92	0.18	-48.08
C=CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061312	0	32	-1.0	-48.42	283.17	-1.02	-49.44
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC(=O)N1	REAL250005061313	0	36	-1.0	-55.68	316.27	-4.05	-59.73
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)C1CC(F)C1	REAL250005061314	0	38	-1.0	-47.37	324.66	0.62	-46.75
CC(CNC(=O)C1=CC=NO1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061315	0	34	-1.0	-47.18	305.42	-1.00	-48.18
CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061316	0	36	-1.0	-46.46	299.96	-1.00	-47.46
CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061317	0	33	-1.0	-46.81	279.65	-1.81	-48.62
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C1CC1	REAL250005061318	0	37	-1.0	-46.16	310.19	-0.35	-46.51
COCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061319	0	37	-1.0	-49.32	312.68	-1.64	-50.96
CCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061320	0	39	-1.0	-46.25	321.46	-0.23	-46.48
CC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061321	0	39	-1.0	-46.09	319.50	-0.33	-46.42
NC(=O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061322	0	34	-1.0	-46.17	295.31	-5.66	-51.83
C=CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061323	0	37	-1.0	-46.60	312.87	-0.46	-47.06
O=C(CO)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061324	0	34	-1.0	-50.90	290.43	-3.92	-54.82
CC(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061325	0	37	-1.0	-47.07	310.75	-3.13	-50.20
C[C@@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061326	0	37	-1.0	-52.12	311.14	-3.16	-55.28
C[C@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061327	0	37	-1.0	-47.09	310.50	-3.07	-50.16
CC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005061328	0	37	-1.0	-46.51	313.53	-0.39	-46.90
COCC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061329	0	37	-1.0	-51.91	315.60	-1.47	-53.38
CCCC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061330	0	39	-1.0	-48.69	324.38	-0.09	-48.78
CC(C)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061331	0	39	-1.0	-48.58	321.73	-0.34	-48.92
CCC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061332	0	36	-1.0	-49.00	302.88	-0.86	-49.86
CC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061333	0	33	-1.0	-48.37	280.85	-1.71	-50.08
O=C(NCC1CN(C(=O)C2CC2)CCO1)C1=CC(=O)[N-]O1	REAL250005061334	0	37	-1.0	-48.68	312.31	-0.07	-48.75
NC(=O)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061335	0	34	-1.0	-46.23	295.27	-5.72	-51.95
O=C(CO)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061336	0	34	-1.0	-53.63	293.35	-3.75	-57.38
CC(O)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061337	0	37	-1.0	-49.62	309.22	-3.24	-52.86
CC(=O)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061338	0	35	-1.0	-45.67	302.72	-1.91	-47.58
CC=CC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061339	0	37	-1.0	-48.86	315.33	-0.27	-49.13
C[C@H](O)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061340	0	37	-1.0	-48.71	309.97	-3.21	-51.92
C=CCC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061341	0	37	-1.0	-48.93	315.79	-0.31	-49.24
N#CCC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061342	0	34	-1.0	-57.75	302.34	-1.18	-58.93
C[C@@H](O)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061343	0	37	-1.0	-49.60	309.22	-3.25	-52.85
C=CC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061344	0	34	-1.0	-49.10	293.60	-1.15	-50.25
CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061345	0	38	-1.0	-48.79	309.60	0.45	-48.34
CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061346	0	35	-1.0	-49.06	289.31	-0.37	-49.43
O=C(NC1(CNC(=O)C2CC2)CCCC1)C1=CC(=O)[N-]O1	REAL250005061347	0	39	-1.0	-49.77	320.73	1.20	-48.57
COCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061348	0	39	-1.0	-51.60	322.32	-0.18	-51.78
CCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061349	0	41	-1.0	-48.63	331.10	1.22	-47.41
CC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061350	0	41	-1.0	-49.43	329.91	1.12	-48.31
NC(=O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061351	0	36	-1.0	-47.93	304.95	-4.22	-52.15
C=CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061352	0	39	-1.0	-48.60	322.51	0.99	-47.61
O=C(CO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061353	0	36	-1.0	-53.16	300.07	-2.47	-55.63
CC(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061354	0	39	-1.0	-48.98	321.16	-1.70	-50.68
O=C(CCF)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061355	0	38	-1.0	-47.82	316.19	0.59	-47.23
C[C@@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061356	0	39	-1.0	-48.98	321.12	-1.69	-50.67
C[C@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061357	0	39	-1.0	-48.46	320.37	-1.68	-50.14
CC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061358	0	39	-1.0	-49.07	323.18	1.04	-48.03
COCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061359	0	39	-1.0	-51.19	322.92	-0.33	-51.52
CCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061360	0	41	-1.0	-47.82	331.70	1.17	-46.65
CC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061361	0	41	-1.0	-47.09	329.40	1.14	-45.95
CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061362	0	38	-1.0	-47.67	310.31	0.44	-47.23
CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061363	0	35	-1.0	-48.09	289.61	-0.40	-48.49
O=C(NCC1(NC(=O)C2CC2)CCCC1)C1=CC(=O)[N-]O1	REAL250005061364	0	39	-1.0	-47.24	320.11	1.23	-46.01
NC(=O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061365	0	36	-1.0	-46.18	304.95	-4.22	-50.40
O=C(CO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061366	0	36	-1.0	-52.58	300.67	-2.61	-55.19
CC(O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061367	0	39	-1.0	-47.46	320.06	-1.78	-49.24
CC(=O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061368	0	37	-1.0	-45.14	311.86	-0.40	-45.54
CC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061369	0	39	-1.0	-47.42	323.16	1.08	-46.34
C[C@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061370	0	39	-1.0	-48.93	320.75	-1.79	-50.72
C=CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061371	0	39	-1.0	-47.81	323.11	0.95	-46.86
N#CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061372	0	36	-1.0	-56.62	309.66	0.09	-56.53
O=C(CCF)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061373	0	38	-1.0	-47.18	316.79	0.55	-46.63
C[C@@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061374	0	39	-1.0	-51.76	320.40	-1.79	-53.55
C=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL250005061375	0	36	-1.0	-47.44	301.44	0.20	-47.24
CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005061376	0	39	-1.0	-48.86	314.82	2.70	-46.16
CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005061377	0	36	-1.0	-49.15	292.80	1.84	-47.31
O=C(CO)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005061378	0	37	-1.0	-53.17	305.29	-0.20	-53.37
CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005061379	0	39	-1.0	-48.92	313.49	2.62	-46.30
CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005061380	0	36	-1.0	-49.28	293.18	1.82	-47.46
O=C(CO)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005061381	0	37	-1.0	-55.09	303.63	-0.37	-55.46
C=CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005061382	0	37	-1.0	-50.97	305.51	2.32	-48.65
CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061383	0	34	-1.0	-46.91	286.04	0.67	-46.24
COCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061384	0	38	-1.0	-47.00	319.71	-0.26	-47.26
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1	REAL250005061385	0	35	-1.0	-47.05	296.48	1.38	-45.67
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC1	REAL250005061386	0	38	-1.0	-46.86	312.34	1.91	-44.95
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCCC1	REAL250005061387	0	41	-1.0	-46.92	328.07	2.43	-44.49
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CC1	REAL250005061388	0	38	-1.0	-47.48	316.97	2.22	-45.26
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(C)F	REAL250005061389	0	37	-1.0	-47.89	302.44	1.08	-46.81
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(F)F	REAL250005061390	0	34	-1.0	-44.21	295.30	0.71	-43.50
COCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061391	0	35	-1.0	-50.51	298.76	0.03	-50.48
CCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061392	0	37	-1.0	-46.85	307.54	1.43	-45.42
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CO1	REAL250005061393	0	35	-1.0	-48.17	303.02	1.04	-47.13
CC(=O)NCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061394	0	38	-1.0	-49.37	324.70	-1.71	-51.08
CC(C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061395	0	40	-1.0	-46.77	324.26	2.02	-44.75
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1C	REAL250005061396	0	38	-1.0	-47.09	317.14	2.05	-45.04
CCOCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061397	0	38	-1.0	-50.62	320.62	0.99	-49.63
CC(C)=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061398	0	38	-1.0	-46.56	314.69	1.95	-44.61
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCCO1	REAL250005061399	0	39	-1.0	-51.78	319.27	1.09	-50.69
CSCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061400	0	35	-1.0	-49.75	309.11	1.11	-48.64
CC(C)CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061401	0	43	-1.0	-46.83	346.60	2.72	-44.11
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CN1	REAL250005061402	0	36	-1.0	-50.31	304.02	1.03	-49.28
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=COC=C1	REAL250005061403	0	35	-1.0	-51.75	300.01	0.68	-51.07
CCCCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061404	0	43	-1.0	-46.92	350.53	2.99	-43.93
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC(C)(C)C	REAL250005061405	0	43	-1.0	-46.08	339.24	2.55	-43.53
CCCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061406	0	40	-1.0	-46.95	329.03	2.21	-44.74
CC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061407	0	37	-1.0	-48.21	300.48	1.04	-47.17
CCC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061408	0	40	-1.0	-47.51	318.80	1.67	-45.84
CCC(CC)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061409	0	43	-1.0	-46.25	342.82	2.49	-43.76
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NNC=C1	REAL250005061410	0	35	-1.0	-50.35	302.04	-0.30	-50.65
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=NN1	REAL250005061410	1	35	-1.0	-48.59	298.91	-0.47	-49.06
CCOC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061411	0	41	-1.0	-50.86	337.53	1.51	-49.35
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CNN=C1	REAL250005061412	0	35	-1.0	-49.45	298.53	-0.98	-50.43
COCCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061413	0	41	-1.0	-49.55	341.21	0.50	-49.05
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NOC=C1	REAL250005061414	0	34	-1.0	-48.50	297.92	0.48	-48.02
CCC=C(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061415	0	41	-1.0	-47.93	340.42	2.54	-45.39
COC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061416	0	38	-1.0	-51.04	313.44	0.50	-50.54
CC(C)OCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061417	0	41	-1.0	-50.48	340.89	1.72	-48.76
CCCOCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061418	0	41	-1.0	-50.17	342.11	1.79	-48.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCOC1	REAL250005061419	0	39	-1.0	-48.07	319.11	-0.15	-48.22
CCC(OC)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061420	0	41	-1.0	-50.20	334.86	1.29	-48.91
COC(C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061421	0	41	-1.0	-49.37	338.85	1.25	-48.12
C=CCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061422	0	38	-1.0	-46.54	320.35	1.99	-44.55
CCOCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061423	0	41	-1.0	-46.91	341.56	0.70	-46.21
COCC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061424	0	41	-1.0	-47.23	333.51	0.14	-47.09
C=CCOCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061425	0	39	-1.0	-51.11	333.52	1.56	-49.55
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=COC=N1	REAL250005061426	0	34	-1.0	-48.07	297.65	-1.47	-49.54
CCCC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061427	0	43	-1.0	-47.55	340.30	2.43	-45.12
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC1CC1	REAL250005061428	0	41	-1.0	-47.18	339.15	3.00	-44.18
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC=CC1	REAL250005061429	0	39	-1.0	-48.67	320.57	2.34	-46.33
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CCC1	REAL250005061430	0	41	-1.0	-47.47	333.94	2.72	-44.75
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)C1CC1	REAL250005061431	0	41	-1.0	-47.21	330.61	2.52	-44.69
CC=C(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061432	0	38	-1.0	-47.97	319.45	1.79	-46.18
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC(C)C1	REAL250005061433	0	41	-1.0	-47.10	332.36	2.52	-44.58
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=C1CCC1	REAL250005061434	0	39	-1.0	-47.84	324.37	2.64	-45.20
CC(C)=C(F)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061435	0	38	-1.0	-44.99	317.67	1.93	-43.06
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CCCC1	REAL250005061436	0	39	-1.0	-48.56	311.60	2.42	-46.14
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1(C)C	REAL250005061437	0	41	-1.0	-46.74	332.35	2.61	-44.13
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CC1(C)C	REAL250005061438	0	41	-1.0	-46.68	333.08	2.62	-44.06
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1CCCO1	REAL250005061439	0	39	-1.0	-50.31	318.76	1.01	-49.30
CCC(C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061440	0	43	-1.0	-46.81	342.50	2.68	-44.13
C#CCCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061441	0	39	-1.0	-49.50	334.81	2.73	-46.77
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC(C)(C)O	REAL250005061442	0	41	-1.0	-49.12	333.03	-0.27	-49.39
CC(C)[C@@H](O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061443	0	41	-1.0	-46.45	327.02	-0.41	-46.86
CCC(C)=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061444	0	41	-1.0	-46.52	336.32	2.71	-43.81
CC(C)C#CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061445	0	39	-1.0	-48.69	336.28	2.70	-45.99
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C#CC1CC1	REAL250005061446	0	37	-1.0	-49.11	325.94	2.87	-46.24
C=C(C)CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061447	0	41	-1.0	-46.34	341.70	2.65	-43.69
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C)CC1	REAL250005061448	0	38	-1.0	-47.06	313.45	1.70	-45.36
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CCCO1	REAL250005061449	0	39	-1.0	-50.74	319.14	1.07	-49.67
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NNN=C1	REAL250005061450	0	34	-1.0	-47.29	296.77	-1.74	-49.03
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1(C)CC1	REAL250005061451	0	41	-1.0	-47.26	337.06	2.70	-44.56
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=CO1	REAL250005061452	0	34	-1.0	-49.52	298.26	-2.25	-51.77
C=CC(C)(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061453	0	41	-1.0	-49.00	317.84	2.03	-46.97
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1C[C@H]1C	REAL250005061454	0	38	-1.0	-47.41	317.14	2.06	-45.35
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C)CCC1	REAL250005061455	0	41	-1.0	-47.22	324.72	2.06	-45.16
CCC(F)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061456	0	37	-1.0	-50.54	313.19	1.41	-49.13
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCF	REAL250005061457	0	37	-1.0	-49.29	314.13	1.57	-47.72
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1C[C@@H]1C	REAL250005061458	0	38	-1.0	-47.06	317.14	2.06	-45.00
C=CCCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061459	0	41	-1.0	-47.28	341.85	2.78	-44.50
CCC(C)(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061460	0	43	-1.0	-49.49	323.02	2.02	-47.47
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(N)=O	REAL250005061461	0	32	-1.0	-46.33	278.94	-3.94	-50.27
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CC1C	REAL250005061462	0	41	-1.0	-47.35	338.36	2.87	-44.48
CCC1(C(=O)N(C)C(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061463	0	41	-1.0	-47.76	335.63	2.43	-45.33
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(CF)CC1	REAL250005061464	0	38	-1.0	-47.70	314.21	1.84	-45.86
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(C)C	REAL250005061465	0	40	-1.0	-49.30	308.40	1.53	-47.77
CC(C)C(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061466	0	43	-1.0	-48.63	336.14	2.34	-46.29
CC[C@@H]1C[C@H]1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061467	0	41	-1.0	-47.42	338.53	2.83	-44.59
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC12CC2	REAL250005061468	0	39	-1.0	-47.95	328.91	2.86	-45.09
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1CC(=O)N1	REAL250005061469	0	36	-1.0	-56.11	310.55	-2.73	-58.84
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CC(=O)N1	REAL250005061470	0	36	-1.0	-53.38	310.61	-2.72	-56.10
COC1(C(=O)N(C)C(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061471	0	39	-1.0	-45.64	326.04	0.51	-45.13
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CSC1	REAL250005061472	0	36	-1.0	-47.09	310.48	1.49	-45.60
C=CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061473	0	35	-1.0	-46.79	298.95	1.21	-45.58
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+](C)C	REAL250005061474	0	40	0.0	-62.42	321.63	1.34	-61.08
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN(C)C	REAL250005061474	1	39	-1.0	-47.41	319.54	-1.06	-48.47
C=CC(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061475	0	36	-1.0	-46.75	302.58	-0.98	-47.73
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1COC1	REAL250005061476	0	36	-1.0	-47.53	302.08	-0.88	-48.41
CO[C@H](C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061477	0	38	-1.0	-51.07	313.43	0.50	-50.57
CC=CC(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061478	0	39	-1.0	-46.72	324.28	-0.11	-46.83
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL250005061479	0	43	0.0	-58.08	337.16	1.70	-56.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)N(C)C	REAL250005061479	1	42	-1.0	-48.96	327.34	-0.97	-49.93
CCC=C(F)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061480	0	38	-1.0	-45.51	322.22	1.98	-43.53
CCC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061481	0	38	-1.0	-47.44	319.88	2.02	-45.42
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(C)CO	REAL250005061483	0	41	-1.0	-49.05	317.93	-1.67	-50.72
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(F)CCC1	REAL250005061484	0	38	-1.0	-43.90	316.12	1.86	-42.04
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CO	REAL250005061485	0	32	-1.0	-51.81	276.51	-2.26	-54.07
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CC(N)=O	REAL250005061486	0	36	-1.0	-49.89	315.19	-2.72	-52.61
CC(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061487	0	35	-1.0	-49.27	293.57	-1.67	-50.94
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(O)CCC1	REAL250005061488	0	39	-1.0	-45.87	320.59	-1.13	-47.00
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(O)C1CC1	REAL250005061489	0	39	-1.0	-46.81	320.30	0.07	-46.74
C=CCC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061490	0	41	-1.0	-47.71	333.30	2.26	-45.45
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1F	REAL250005061491	0	35	-1.0	-52.14	302.70	1.44	-50.70
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL250005061492	0	43	0.0	-58.08	337.16	1.70	-56.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)N(C)C	REAL250005061492	1	42	-1.0	-48.96	327.34	-0.97	-49.93
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCF	REAL250005061493	0	34	-1.0	-46.29	292.63	0.81	-45.48
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(O)COC1	REAL250005061494	0	37	-1.0	-48.14	307.93	-3.26	-51.40
CC(C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005061495	0	39	-1.0	-48.22	322.67	2.49	-45.73
CCC1CC1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061496	0	41	-1.0	-47.43	339.26	2.82	-44.61
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1(O)CC1	REAL250005061497	0	39	-1.0	-50.49	327.53	-1.31	-51.80
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CCF	REAL250005061498	0	35	-1.0	-50.15	304.97	1.37	-48.78
C#CCCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061499	0	36	-1.0	-47.24	313.32	1.95	-45.29
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1CCC1	REAL250005061500	0	40	-1.0	-49.49	327.40	-1.46	-50.95
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CCC1	REAL250005061500	1	41	0.0	-62.52	331.71	1.76	-60.76
C#C[C@H]1C[C@H]1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061501	0	37	-1.0	-49.63	318.64	2.56	-47.07
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C2CCC21	REAL250005061502	0	39	-1.0	-47.06	319.16	2.72	-44.34
C=C1CCC1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061503	0	39	-1.0	-46.76	321.75	2.23	-44.53
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1[C@H](C)[C@@H]1C	REAL250005061504	0	41	-1.0	-47.76	333.62	2.61	-45.15
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H](C)[NH+](C)C	REAL250005061505	0	43	0.0	-62.31	337.90	1.72	-60.59
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H](C)N(C)C	REAL250005061505	1	42	-1.0	-49.55	325.73	-1.07	-50.62
CC=CC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061506	0	39	-1.0	-47.60	333.95	2.69	-44.91
COCC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061507	0	39	-1.0	-50.24	332.14	0.29	-49.95
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C)COC1	REAL250005061508	0	39	-1.0	-48.74	317.96	-0.56	-49.30
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCO1	REAL250005061509	0	36	-1.0	-51.90	303.65	0.10	-51.80
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCN=[N+]=[N-]	REAL250005061510	0	36	-1.0	-45.78	316.17	-2.72	-48.50
C#CCOCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061511	0	37	-1.0	-53.27	326.40	1.52	-51.75
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)(C)O	REAL250005061512	0	38	-1.0	-52.77	300.24	-1.03	-53.80
CC1=CC1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061513	0	36	-1.0	-47.93	310.81	2.09	-45.84
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(=O)N(C)C	REAL250005061514	0	38	-1.0	-47.05	316.77	-0.46	-47.51
CSC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061515	0	36	-1.0	-47.10	320.80	1.59	-45.51
CCC(C)(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061516	0	41	-1.0	-46.22	321.28	-0.77	-46.99
CC[N@H+](C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061517	0	43	0.0	-61.09	339.37	1.99	-59.10
CC[N@@H+](C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061517	1	43	0.0	-61.08	339.37	1.98	-59.10
CCN(C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061517	1	42	-1.0	-47.88	337.52	-0.27	-48.15
C=C1CC(C(=O)N(C)C(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061518	0	39	-1.0	-47.11	324.94	2.38	-44.73
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC1F	REAL250005061519	0	38	-1.0	-50.14	315.70	1.95	-48.19
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CNC=N1	REAL250005061520	0	35	-1.0	-49.87	301.54	1.10	-48.77
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=CN1	REAL250005061520	1	35	-1.0	-52.70	298.94	0.77	-51.93
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CCCO1	REAL250005061521	0	37	-1.0	-46.12	311.40	0.82	-45.30
CCC[C@H](O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061522	0	41	-1.0	-46.38	335.73	-0.08	-46.46
CC(C)[C@H](O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061523	0	41	-1.0	-48.24	328.03	-0.23	-48.47
CCOC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061524	0	39	-1.0	-47.24	331.82	0.89	-46.35
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H](C)O	REAL250005061525	0	35	-1.0	-51.55	292.08	-1.74	-53.29
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CCO	REAL250005061526	0	36	-1.0	-51.42	309.89	-2.11	-53.53
COC(C)(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061527	0	41	-1.0	-51.77	315.38	0.96	-50.81
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCCO	REAL250005061528	0	41	-1.0	-48.23	340.46	-1.12	-49.35
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(CO)CC1	REAL250005061529	0	39	-1.0	-49.70	326.05	-1.60	-51.30
COC(F)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061530	0	35	-1.0	-51.83	303.54	-0.55	-52.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C12CC1CC2	REAL250005061531	0	39	-1.0	-47.97	318.57	2.33	-45.64
C=C[C@H](C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061532	0	41	-1.0	-46.06	337.06	2.55	-43.51
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CC1CC1	REAL250005061533	0	39	-1.0	-47.46	330.76	2.83	-44.63
CC=C(CC)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061534	0	41	-1.0	-47.82	340.41	2.52	-45.30
C=CC(C)(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061535	0	39	-1.0	-46.48	314.77	-0.66	-47.14
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CCC1	REAL250005061536	0	36	-1.0	-48.59	302.46	1.80	-46.79
CON=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061537	0	35	-1.0	-50.55	307.69	-0.81	-51.36
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(F)CC1	REAL250005061538	0	35	-1.0	-46.57	300.40	1.36	-45.21
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NOCC1	REAL250005061539	0	36	-1.0	-45.84	307.92	-0.23	-46.07
C#CC(C)(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061540	0	39	-1.0	-50.74	314.93	2.08	-48.66
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)COC1CC1	REAL250005061541	0	39	-1.0	-51.46	330.97	1.77	-49.69
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NC=CN1	REAL250005061542	0	35	-1.0	-49.03	301.74	0.26	-48.77
CCCC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061543	0	41	-1.0	-47.40	341.38	2.79	-44.61
CC=C(F)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061544	0	35	-1.0	-45.53	301.92	1.24	-44.29
CCC(CO)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061545	0	41	-1.0	-48.25	328.48	-1.55	-49.80
CC(CO)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061546	0	38	-1.0	-47.52	311.26	-2.26	-49.78
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CON=C1	REAL250005061547	0	34	-1.0	-48.37	294.42	0.03	-48.34
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1C[C@H]1CF	REAL250005061548	0	38	-1.0	-49.45	324.45	2.20	-47.25
C#CC1(C(=O)N(C)C(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061549	0	37	-1.0	-47.04	317.31	2.14	-44.90
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=COCC1	REAL250005061550	0	37	-1.0	-47.60	306.35	0.19	-47.41
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)O	REAL250005061551	0	35	-1.0	-49.23	293.57	-1.67	-50.90
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C=CCC1	REAL250005061552	0	39	-1.0	-46.93	316.85	2.22	-44.71
CC(O)C(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061553	0	41	-1.0	-51.15	325.20	-0.09	-51.24
C=C1CC1C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061554	0	36	-1.0	-47.04	309.33	1.97	-45.07
CC(CF)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061555	0	37	-1.0	-46.49	306.47	1.15	-45.34
C=C(C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061556	0	38	-1.0	-47.16	320.30	1.85	-45.31
CC(C)=C(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061557	0	41	-1.0	-47.88	335.08	2.32	-45.56
CCCC(O)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061558	0	41	-1.0	-47.27	333.93	-0.13	-47.40
CCC(O)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061559	0	41	-1.0	-49.71	338.21	-0.20	-49.91
CC=CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061560	0	35	-1.0	-47.40	298.79	1.26	-46.14
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C)CC1F	REAL250005061561	0	38	-1.0	-46.78	320.69	1.78	-45.00
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1C[C@@H](O)C1	REAL250005061562	0	39	-1.0	-50.50	322.77	-1.54	-52.04
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1C[C@H]1C	REAL250005061563	0	38	-1.0	-47.41	317.14	2.06	-45.35
CNC(=O)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061564	0	38	-1.0	-57.93	322.12	-0.31	-58.24
C=CC=CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061565	0	39	-1.0	-48.32	334.20	2.63	-45.69
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC(N)=O	REAL250005061566	0	38	-1.0	-49.00	323.72	-2.50	-51.50
CC(O)CCC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061567	0	41	-1.0	-46.77	339.34	-1.08	-47.85
C#CCC(C)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061568	0	39	-1.0	-47.52	326.28	2.21	-45.31
CC(CCO)C(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061569	0	41	-1.0	-51.30	330.22	-1.69	-52.99
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](O)CF	REAL250005061570	0	35	-1.0	-51.29	297.12	-1.67	-52.96
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(O)CC1	REAL250005061571	0	36	-1.0	-46.02	307.45	-1.87	-47.89
CC(CNC(=O)CC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061572	0	38	-1.0	-43.75	314.34	2.09	-41.66
CC(CNC(=O)C(C)(C)F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061573	0	37	-1.0	-44.30	309.07	1.25	-43.05
CC(CNC(=O)C(C)(F)F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061574	0	34	-1.0	-45.30	295.25	0.73	-44.57
COCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061575	0	35	-1.0	-46.35	296.12	-0.09	-46.44
CCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061576	0	37	-1.0	-43.88	304.90	1.32	-42.56
CC(CNC(=O)C1=CC=CO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061577	0	35	-1.0	-46.73	303.02	0.86	-45.87
CC(=O)NCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061578	0	38	-1.0	-49.07	322.08	-1.78	-50.85
CC(C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061579	0	40	-1.0	-43.53	321.62	1.90	-41.63
CC(CNC(=O)C1CC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061580	0	38	-1.0	-44.04	315.24	2.00	-42.04
CCOCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061581	0	38	-1.0	-46.30	317.98	0.87	-45.43
CC(C)=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061582	0	38	-1.0	-44.42	312.87	1.86	-42.56
CC(CNC(=O)C1CCCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061583	0	39	-1.0	-46.42	319.37	1.13	-45.29
CSCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061584	0	35	-1.0	-45.46	306.46	0.98	-44.48
CC(C)CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061585	0	43	-1.0	-43.77	343.97	2.60	-41.17
CC(CNC(=O)C1=CC=CN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061586	0	36	-1.0	-45.01	305.91	0.64	-44.37
CC(CNC(=O)C1=COC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061587	0	35	-1.0	-46.31	302.13	0.83	-45.48
CCCCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061588	0	43	-1.0	-43.79	347.90	2.88	-40.91
CC(CNC(=O)CC(C)(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061589	0	43	-1.0	-42.98	336.60	2.43	-40.55
CCCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061590	0	40	-1.0	-43.82	326.40	2.10	-41.72
CC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061591	0	37	-1.0	-43.87	302.95	1.21	-42.66
CCC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061592	0	40	-1.0	-43.73	321.07	1.86	-41.87
CCC(CC)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061593	0	43	-1.0	-43.46	337.24	2.33	-41.13
CC(CNC(=O)C1=CC=NN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061594	0	35	-1.0	-45.79	300.62	-0.67	-46.46
CCOC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061595	0	41	-1.0	-45.91	337.76	1.56	-44.35
CC(CNC(=O)C1=CNN=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061596	0	35	-1.0	-48.00	300.90	-0.71	-48.71
COCCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061597	0	41	-1.0	-45.55	338.57	0.39	-45.16
CC(CNC(=O)C1=NOC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061598	0	34	-1.0	-50.05	297.50	0.09	-49.96
CCC=C(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061599	0	41	-1.0	-44.53	332.02	2.61	-41.92
COC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061600	0	38	-1.0	-45.84	315.91	0.61	-45.23
CC(C)OCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061601	0	41	-1.0	-46.22	338.25	1.60	-44.62
CCCOCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061602	0	41	-1.0	-46.17	339.48	1.67	-44.50
CC(CNC(=O)C1CCOC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061603	0	39	-1.0	-44.83	317.76	-0.09	-44.92
CCC(OC)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061604	0	41	-1.0	-44.65	336.07	1.43	-43.22
COC(C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061605	0	41	-1.0	-45.54	336.21	1.15	-44.39
C=CCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061606	0	38	-1.0	-43.84	317.71	1.88	-41.96
CCOCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061607	0	41	-1.0	-44.83	338.93	0.59	-44.24
COCC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061608	0	41	-1.0	-44.47	335.78	0.33	-44.14
C=CCOCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061609	0	39	-1.0	-46.43	330.88	1.45	-44.98
CC(CNC(=O)C1=COC=N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061610	0	34	-1.0	-48.94	297.81	-2.54	-51.48
CC(C#N)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061611	0	35	-1.0	-47.27	302.38	0.83	-46.44
CCCC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061612	0	43	-1.0	-43.70	342.57	2.62	-41.08
CC(CNC(=O)CCC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061613	0	41	-1.0	-43.62	336.46	2.88	-40.74
CC(CNC(=O)C1CC=CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061614	0	39	-1.0	-43.87	318.94	2.31	-41.56
CC(CNC(=O)CC1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061615	0	41	-1.0	-43.49	331.27	2.60	-40.89
CC(CNC(=O)C(C)C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061616	0	41	-1.0	-43.56	332.26	2.65	-40.91
CC=C(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061617	0	38	-1.0	-44.77	311.71	1.83	-42.94
CC(CNC(=O)C1CC(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061618	0	41	-1.0	-43.99	330.49	2.46	-41.53
CC(CNC(=O)C=C1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061619	0	39	-1.0	-45.05	322.57	2.54	-42.51
CC(C)=C(F)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061620	0	38	-1.0	-45.98	317.11	1.89	-44.09
CC(CNC(=O)C1=CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061621	0	39	-1.0	-44.99	319.93	2.41	-42.58
CC(CNC(=O)C1CC1(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061622	0	41	-1.0	-43.50	330.53	2.54	-40.96
CC(CNC(=O)[C@H]1CC1(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061623	0	41	-1.0	-43.57	331.02	2.56	-41.01
CC(CNC(=O)[C@@H]1CCCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061624	0	39	-1.0	-46.53	319.49	1.14	-45.39
CCC(C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061625	0	43	-1.0	-43.46	339.86	2.57	-40.89
C#CCCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061626	0	39	-1.0	-45.80	332.18	2.62	-43.18
CC(CNC(=O)CC(C)(C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061627	0	41	-1.0	-43.34	327.79	-0.16	-43.50
CC(C)[C@@H](O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061628	0	41	-1.0	-44.59	329.30	-0.98	-45.57
CCC(C)=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061629	0	41	-1.0	-44.29	334.62	2.62	-41.67
CC(C)C#CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061630	0	39	-1.0	-46.56	332.79	2.57	-43.99
CC(CNC(=O)C#CC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061631	0	37	-1.0	-46.75	322.42	2.75	-44.00
CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061632	0	34	-1.0	-44.08	283.40	0.55	-43.53
COCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061633	0	38	-1.0	-44.78	317.07	-0.38	-45.16
CC(CNC(=O)C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061634	0	35	-1.0	-44.26	293.92	1.32	-42.94
CC(CNC(=O)C1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061635	0	38	-1.0	-43.87	310.13	1.82	-42.05
CC(CNC(=O)C1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061636	0	41	-1.0	-43.70	326.44	2.43	-41.27
C=CCCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061637	0	41	-1.0	-44.10	339.21	2.66	-41.44
CCC(C)(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061638	0	43	-1.0	-43.76	336.06	2.27	-41.49
CC(CNC(=O)C(N)=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061639	0	32	-1.0	-49.04	278.75	-4.12	-53.16
CC(CNC(=O)CC1CC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061640	0	41	-1.0	-43.74	335.67	2.77	-40.97
CCC1(C(=O)NCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061641	0	41	-1.0	-43.97	337.26	2.55	-41.42
CC(CNC(=O)C(C)(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061642	0	40	-1.0	-43.78	321.84	1.78	-42.00
C=C(C)CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061643	0	41	-1.0	-43.73	339.06	2.53	-41.20
CC(CNC(=O)C1(CF)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061644	0	38	-1.0	-44.78	316.86	2.04	-42.74
CC(C)C(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061645	0	43	-1.0	-43.26	336.97	2.41	-40.85
CC[C@@H]1C[C@H]1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061646	0	41	-1.0	-43.80	336.65	2.76	-41.04
CC(CNC(=O)C1CC12CC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061647	0	39	-1.0	-44.70	326.31	2.79	-41.91
CC(CNC(=O)[C@H]1CCCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061648	0	39	-1.0	-45.39	319.81	1.13	-44.26
CC(CNC(=O)CC1(C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061649	0	41	-1.0	-43.57	335.06	2.58	-40.99
CC(CNC(=O)C1(C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061650	0	38	-1.0	-44.30	311.62	1.92	-42.38
CC(CNC(=O)C1=CNC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061651	0	36	-1.0	-47.26	305.99	0.73	-46.53
CC(CNC(=O)C1=CN=CO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061652	0	34	-1.0	-46.63	297.81	-2.44	-49.07
C=CC(C)(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061653	0	41	-1.0	-43.74	330.60	2.17	-41.57
CC(CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061654	0	38	-1.0	-44.11	315.10	2.00	-42.11
CC(CNC(=O)C1(C)CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061655	0	41	-1.0	-43.84	327.27	2.35	-41.49
CCC(F)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061656	0	37	-1.0	-45.07	311.17	1.35	-43.72
CC(CNC(=O)CCCF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061657	0	37	-1.0	-45.22	311.49	1.46	-43.76
CC(CNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061658	0	38	-1.0	-44.29	315.10	1.98	-42.31
CC(CNC(=O)C1=NNN=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061659	0	34	-1.0	-46.43	296.32	-2.13	-48.56
CC(CNC(=O)C1=CN=NN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061659	1	34	-1.0	-45.53	295.42	-2.05	-47.58
CC(CNC(=O)CO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061660	0	32	-1.0	-47.60	273.87	-2.37	-49.97
CC(CNC(=O)C=CC(N)=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061661	0	36	-1.0	-50.41	313.36	-2.81	-53.22
COC(=O)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061662	0	37	-1.0	-49.35	315.35	1.52	-47.83
CSC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061663	0	36	-1.0	-45.53	319.02	1.45	-44.08
CC(CNC(=O)CCC(N)=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061664	0	38	-1.0	-49.73	321.08	-2.62	-52.35
CC(CNC(=O)C1CCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061665	0	36	-1.0	-45.13	301.94	0.07	-45.06
CC(CNC(=O)C1=CCCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061666	0	37	-1.0	-46.90	311.45	0.44	-46.46
CC(CNC(=O)C1COC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061667	0	36	-1.0	-44.24	300.76	-0.94	-45.18
CC(CNC(=O)C=CCO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061668	0	36	-1.0	-46.87	308.08	-2.21	-49.08
CC=CC(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061669	0	39	-1.0	-44.78	326.46	0.00	-44.78
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061670	0	43	0.0	-56.24	336.53	1.71	-54.53
CC(CNC(=O)[C@H](C)N(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061670	1	42	-1.0	-44.11	330.62	-0.73	-44.84
CCC=C(F)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061671	0	38	-1.0	-45.65	322.25	1.95	-43.70
CCC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061672	0	38	-1.0	-44.57	318.06	1.91	-42.66
CC(CNC(=O)CCN=[N+]=[N-])N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061673	0	36	-1.0	-43.75	313.54	-2.83	-46.58
C#CCOCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061674	0	37	-1.0	-48.57	323.76	1.41	-47.16
CC(O)CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061675	0	41	-1.0	-45.32	336.71	-1.19	-46.51
C#CCCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061676	0	36	-1.0	-44.78	310.68	1.83	-42.95
CC=CC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061677	0	39	-1.0	-45.10	332.14	2.59	-42.51
COCC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061678	0	39	-1.0	-45.65	330.33	0.19	-45.46
CCC(C)(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061679	0	41	-1.0	-44.98	330.71	-1.33	-46.31
C#CCC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061680	0	39	-1.0	-44.35	328.55	2.40	-41.95
C=CC(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061681	0	36	-1.0	-44.83	304.76	-0.85	-45.68
CC(CNC(=O)C12CC1CC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061682	0	39	-1.0	-43.93	322.35	2.52	-41.41
C=C[C@H](C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061683	0	41	-1.0	-43.37	334.42	2.44	-40.93
CC(CNC(=O)C=CC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061684	0	39	-1.0	-44.39	328.96	2.73	-41.66
CCC(C#N)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061685	0	38	-1.0	-49.94	323.01	1.47	-48.47
CC(CNC(=O)C1C2CCC21)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061686	0	39	-1.0	-44.22	316.61	2.66	-41.56
C=C1CCC1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061687	0	39	-1.0	-43.21	322.91	2.30	-40.91
CC(CNC(=O)C1[C@H](C)[C@@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061688	0	41	-1.0	-43.19	324.06	2.48	-40.71
CC[N@H+](C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061689	0	43	0.0	-57.31	336.67	1.95	-55.36
CC[N@@H+](C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061689	1	43	0.0	-57.31	336.67	1.95	-55.36
CCN(C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061689	1	42	-1.0	-44.28	334.88	-0.33	-44.61
CC(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061690	0	35	-1.0	-44.45	294.20	-1.59	-46.04
CC(=O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061691	0	33	-1.0	-47.19	286.14	-0.31	-47.50
CC(CNC(=O)CCCC#N)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061692	0	38	-1.0	-49.37	325.75	1.83	-47.54
CC(CNC(=O)C1(C#N)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061693	0	36	-1.0	-48.83	313.64	1.59	-47.24
C=C1CC(C(=O)NCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005061694	0	39	-1.0	-43.65	323.66	2.34	-41.31
CC(CNC(=O)C1(F)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061695	0	35	-1.0	-45.33	300.57	1.39	-43.94
COC(C)(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061696	0	41	-1.0	-45.84	327.86	1.09	-44.75
CC(CC#N)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061697	0	38	-1.0	-46.60	322.13	1.58	-45.02
CCC1CC1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061698	0	41	-1.0	-43.75	331.23	2.77	-40.98
C=CC(C)(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061699	0	39	-1.0	-44.71	324.06	-1.29	-46.00
CCCC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061700	0	41	-1.0	-44.45	339.56	2.69	-41.76
CC=C(F)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061701	0	35	-1.0	-45.70	301.94	1.22	-44.48
CC(CNC(=O)[C@@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061702	0	43	0.0	-57.46	337.23	1.65	-55.81
CC(CNC(=O)[C@@H](C)N(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061702	1	42	-1.0	-43.91	328.54	-0.79	-44.70
CCOC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061703	0	39	-1.0	-46.70	330.04	0.77	-45.93
CC(=O)OCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061704	0	37	-1.0	-49.02	319.48	1.50	-47.52
CC(=O)C=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061705	0	37	-1.0	-48.39	320.23	1.03	-47.36
CC(CNC(=O)COC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061706	0	39	-1.0	-46.32	328.35	1.66	-44.66
CC(CNC(=O)C1=NC=CN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061707	0	35	-1.0	-50.66	301.86	-0.41	-51.07
CC(CO)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061708	0	38	-1.0	-45.23	313.53	-2.07	-47.30
CC(CNC(=O)C1=CON=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061709	0	34	-1.0	-46.50	297.13	0.28	-46.22
CC(CNC(=O)CCCCO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061710	0	41	-1.0	-45.87	337.82	-1.23	-47.10
CC(CNC(=O)C(=O)C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061711	0	37	-1.0	-47.30	316.69	1.28	-46.02
CC(CNC(=O)CC1(O)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061712	0	39	-1.0	-46.20	324.09	-1.43	-47.63
CC(CNC(=O)C1CCC1F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061713	0	38	-1.0	-46.19	314.11	1.93	-44.26
CC(CNC(=O)[C@@H]1C[C@H]1CF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061714	0	38	-1.0	-44.87	321.85	2.13	-42.74
CCC(CO)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061715	0	41	-1.0	-44.87	330.00	-1.02	-45.89
CC(CNC(=O)[C@@H]1C[C@@H]1C#N)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061716	0	36	-1.0	-50.06	310.88	1.60	-48.46
CC(CNC(=O)C1=COCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061717	0	37	-1.0	-44.65	310.05	0.40	-44.25
CC(CNC(=O)C1(O)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061718	0	36	-1.0	-44.33	302.69	-1.74	-46.07
CC(CNC(=O)C1=CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061719	0	36	-1.0	-45.55	304.40	1.89	-43.66
CC(CF)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061720	0	37	-1.0	-43.57	308.75	1.34	-42.23
CC=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061721	0	35	-1.0	-44.79	296.97	1.15	-43.64
CC(CNC(=O)C1(C)CC1F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061722	0	38	-1.0	-46.59	316.36	2.02	-44.57
CC(CNC(=O)C=CCF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061723	0	35	-1.0	-45.32	303.16	1.27	-44.05
CC(CNC(=O)C1(CO)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061724	0	39	-1.0	-46.35	327.34	-1.51	-47.86
CC(CNC(=O)C1=CC=NO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061725	0	34	-1.0	-48.05	297.51	0.29	-47.76
CC(CNC(=O)[C@H](C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061727	0	35	-1.0	-46.79	294.54	-1.61	-48.40
CON=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061728	0	35	-1.0	-46.83	305.86	-0.89	-47.72
CC(C)[C@H](O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061729	0	41	-1.0	-44.11	330.50	-0.07	-44.18
C#CC1(C(=O)NCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061730	0	37	-1.0	-45.19	320.07	2.41	-42.78
C=CC=CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061731	0	39	-1.0	-44.46	331.56	2.52	-41.94
C#C[C@H]1C[C@H]1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061732	0	37	-1.0	-45.92	316.80	2.49	-43.43
CC=C(CC)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061733	0	41	-1.0	-44.76	332.75	2.54	-42.22
COC(F)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061734	0	35	-1.0	-46.41	302.02	-0.62	-47.03
CC(CNC(=O)[C@@H]1C[C@H]1C#N)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061735	0	36	-1.0	-46.25	314.94	1.75	-44.50
CC(CNC(=O)[C@H]1C[C@@H](O)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061736	0	39	-1.0	-46.26	321.56	-1.58	-47.84
CC(CNC(=O)C(C)(C)CO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061737	0	41	-1.0	-44.83	331.19	-1.43	-46.26
C=CCC(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061738	0	41	-1.0	-43.59	335.58	2.45	-41.14
CC(CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061739	0	38	-1.0	-44.11	315.10	2.00	-42.11
CC(CNC(=O)C(C)(C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061740	0	38	-1.0	-44.81	313.88	-2.03	-46.84
CC(CNC(=O)C1=NOCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061741	0	36	-1.0	-49.10	307.45	-0.60	-49.70
CC(C#N)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061742	0	38	-1.0	-46.16	320.94	1.58	-44.58
CC(CCO)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061743	0	41	-1.0	-46.24	332.50	-1.50	-47.74
CC(CNC(=O)[C@H](O)CF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061744	0	35	-1.0	-45.35	300.51	-1.42	-46.77
CC(CNC(=O)C1(O)CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061745	0	39	-1.0	-44.79	316.63	-1.23	-46.02
CC(CNC(=O)C(O)C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061746	0	39	-1.0	-44.36	322.49	0.22	-44.14
C=C(C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061747	0	38	-1.0	-44.18	317.66	1.74	-42.44
CC(CNC(=O)C(C)(C)C#N)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061748	0	38	-1.0	-46.36	321.23	1.34	-45.02
CC(C)=C(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061749	0	41	-1.0	-44.52	327.59	2.52	-42.00
CNC(=O)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061750	0	38	-1.0	-52.15	319.49	-0.40	-52.55
CC(CNC(=O)C1CC(F)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061751	0	38	-1.0	-45.34	316.79	1.92	-43.42
C=CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061752	0	35	-1.0	-44.08	296.31	1.09	-42.99
CC(CNC(=O)C[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061753	0	40	0.0	-59.56	318.99	1.27	-58.29
CC(CNC(=O)CN(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061753	1	39	-1.0	-44.50	316.91	-1.12	-45.62
CC(CNC(=O)CC#N)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061754	0	32	-1.0	-49.29	282.86	0.22	-49.07
CC(CNC(=O)C1CC1F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061755	0	35	-1.0	-44.92	300.71	1.41	-43.51
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061756	0	43	0.0	-56.24	336.53	1.71	-54.53
CC(CNC(=O)[C@H](C)N(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061756	1	42	-1.0	-44.11	330.62	-0.73	-44.84
CC(CNC(=O)CCF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061757	0	34	-1.0	-44.05	289.99	0.69	-43.36
CC(CNC(=O)C1C=CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061758	0	39	-1.0	-43.99	318.97	2.34	-41.65
C#CC(C)(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061759	0	39	-1.0	-45.46	327.66	2.22	-43.24
CO[C@H](C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061760	0	38	-1.0	-45.57	315.92	0.61	-44.96
CC(=O)CCC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061761	0	39	-1.0	-47.91	328.10	1.23	-46.68
CC(CNC(=O)[C@@H](C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061762	0	35	-1.0	-44.11	294.21	-1.59	-45.70
CC(CNC(=O)CN1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061763	0	40	-1.0	-44.58	324.72	-1.53	-46.11
CC(CNC(=O)C[NH+]1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061763	1	41	0.0	-57.68	329.04	1.70	-55.98
CC(O)C(C)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061764	0	41	-1.0	-45.61	327.72	-0.38	-45.99
C=C1CC1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061765	0	36	-1.0	-45.01	307.49	1.89	-43.12
CC(CNC(=O)C1(C)COC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061766	0	39	-1.0	-43.90	319.03	-0.36	-44.26
CC(CNC(=O)C1CC(=O)N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061767	0	36	-1.0	-48.13	308.21	-2.98	-51.11
CC(CNC(=O)[C@@H]1CC(=O)N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061768	0	36	-1.0	-48.14	308.32	-2.75	-50.89
CCC[C@H](O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061769	0	41	-1.0	-44.24	336.20	0.03	-44.21
CC(CNC(=O)C1(F)CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061770	0	38	-1.0	-45.54	316.44	1.86	-43.68
CC(CNC(=O)C1=CN=CN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061771	0	35	-1.0	-45.56	300.73	0.39	-45.17
CC(CNC(=O)C1CC(=O)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061772	0	37	-1.0	-45.94	312.81	0.91	-45.03
CC(CNC(=O)C1(O)COC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061773	0	37	-1.0	-44.96	309.13	-3.98	-48.94
CC(C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005061774	0	39	-1.0	-45.19	326.18	2.78	-42.41
CC1=CC1C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061775	0	36	-1.0	-45.35	308.92	2.02	-43.33
CC(CNC(=O)C(=O)N(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061776	0	38	-1.0	-49.84	316.06	-0.59	-50.43
CCCC(O)C(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061777	0	41	-1.0	-44.17	336.19	0.02	-44.15
CCC(O)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061778	0	41	-1.0	-46.07	335.57	-0.30	-46.37
CC(CNC(=O)[C@H]1CC(=O)N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061779	0	36	-1.0	-48.64	308.31	-2.76	-51.40
COC1(C(=O)NCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061780	0	39	-1.0	-44.65	322.33	1.09	-43.56
CC(CNC(=O)C1CSC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061781	0	36	-1.0	-44.18	310.00	1.47	-42.71
C=CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061782	0	32	-1.0	-44.87	275.25	0.26	-44.61
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC(=O)N1	REAL250005061783	0	36	-1.0	-53.10	309.98	-2.99	-56.09
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC(F)C1	REAL250005061784	0	38	-1.0	-47.16	317.74	1.95	-45.21
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=NO1	REAL250005061785	0	34	-1.0	-46.68	297.95	0.32	-46.36
CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)CC(C)C	REAL250005061786	0	40	-1.0	-44.51	329.57	0.62	-43.89
CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)CC(C)C	REAL250005061787	0	37	-1.0	-44.93	309.26	-0.19	-45.12
CC(C)CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005061788	0	41	-1.0	-43.78	332.01	1.38	-42.40
COCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)CC(C)C	REAL250005061789	0	41	-1.0	-47.31	342.29	-0.01	-47.32
CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)CC(C)C	REAL250005061790	0	43	-1.0	-43.73	342.99	1.38	-42.35
CC(C)CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C	REAL250005061791	0	43	-1.0	-43.57	341.04	1.28	-42.29
CC(C)CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005061792	0	38	-1.0	-45.61	325.15	-4.03	-49.64
C=CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)CC(C)C	REAL250005061793	0	41	-1.0	-44.83	342.48	1.17	-43.66
CC(C)CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005061794	0	38	-1.0	-48.72	320.03	-2.29	-51.01
CC(C)CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)O	REAL250005061795	0	41	-1.0	-45.68	339.72	-1.54	-47.22
CC(C)CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005061796	0	41	-1.0	-44.83	341.31	-1.50	-46.33
CC(C)CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005061797	0	41	-1.0	-45.00	340.05	-1.53	-46.53
CC=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)CC(C)C	REAL250005061798	0	41	-1.0	-44.65	343.16	1.24	-43.41
COCC(=O)NCC(CC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061799	0	41	-1.0	-46.12	342.47	0.01	-46.11
CCCC(=O)NCC(CC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061800	0	43	-1.0	-44.35	342.97	1.40	-42.95
CC(C)CC(CNC(=O)C(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061801	0	43	-1.0	-43.26	349.29	1.31	-41.95
CCC(=O)NCC(CC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061802	0	40	-1.0	-43.68	329.75	0.65	-43.03
CC(=O)NCC(CC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061803	0	37	-1.0	-44.05	309.15	-0.17	-44.22
CC(C)CC(CNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005061804	0	41	-1.0	-43.61	340.16	1.44	-42.17
CC(C)CC(CNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005061805	0	38	-1.0	-47.01	325.09	-4.02	-51.03
CC(C)CC(CNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005061806	0	38	-1.0	-48.48	311.94	-2.28	-50.76
CC(C)CC(CNC(=O)C(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005061807	0	41	-1.0	-44.04	340.55	-1.48	-45.52
CC(=O)C(=O)NCC(CC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061808	0	39	-1.0	-46.04	324.22	-0.22	-46.26
CC=CC(=O)NCC(CC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061809	0	41	-1.0	-44.00	343.32	1.26	-42.74
CC(C)CC(CNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005061810	0	41	-1.0	-45.52	332.27	-1.50	-47.02
C=CCC(=O)NCC(CC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061811	0	41	-1.0	-44.62	334.38	1.18	-43.44
CC(C)CC(CNC(=O)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005061812	0	38	-1.0	-50.25	329.21	0.33	-49.92
CC(C)CC(CNC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005061813	0	41	-1.0	-44.45	340.81	-1.51	-45.96
C=CC(=O)NCC(CC(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061814	0	38	-1.0	-44.14	321.59	0.37	-43.77
CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL250005061815	0	41	-1.0	-48.30	325.03	1.22	-47.08
CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL250005061816	0	41	-1.0	-44.76	324.87	0.88	-43.88
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005061817	0	38	-1.0	-45.76	308.90	1.64	-44.12
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005061818	0	35	-1.0	-46.16	287.57	0.81	-45.35
CC1CN(C(=O)C2CC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005061819	0	39	-1.0	-45.62	318.87	2.36	-43.26
COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005061820	0	39	-1.0	-48.52	321.62	1.02	-47.50
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005061821	0	41	-1.0	-45.55	330.40	2.40	-43.15
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005061822	0	41	-1.0	-47.84	327.22	2.11	-45.73
CC1CN(C(=O)C(N)=O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005061823	0	36	-1.0	-45.16	301.69	-3.17	-48.33
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005061824	0	39	-1.0	-45.90	321.81	2.18	-43.72
CC1CN(C(=O)CO)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005061825	0	36	-1.0	-50.20	299.37	-1.26	-51.46
CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005061826	0	39	-1.0	-48.67	315.81	-0.73	-49.40
CC1CN(C(=O)CCF)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005061827	0	38	-1.0	-45.13	315.49	1.78	-43.35
C[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005061828	0	39	-1.0	-48.30	311.87	-0.36	-48.66
C[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005061829	0	39	-1.0	-52.53	316.16	-0.74	-53.27
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005061830	0	39	-1.0	-45.86	321.39	2.21	-43.65
COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061831	0	39	-1.0	-50.04	314.82	1.20	-48.84
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061832	0	41	-1.0	-46.94	323.59	2.60	-44.34
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061833	0	41	-1.0	-45.62	325.58	2.12	-43.50
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061834	0	38	-1.0	-47.21	302.09	1.84	-45.37
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061835	0	35	-1.0	-47.74	285.75	0.63	-47.11
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)C1CC1	REAL250005061836	0	39	-1.0	-45.20	312.61	2.60	-42.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)C(N)=O	REAL250005061837	0	36	-1.0	-46.30	301.38	-3.20	-49.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)CO	REAL250005061838	0	36	-1.0	-51.60	292.56	-1.08	-52.68
CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061839	0	39	-1.0	-51.56	317.17	-0.70	-52.26
CC(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061840	0	37	-1.0	-45.03	304.35	0.98	-44.05
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061841	0	39	-1.0	-47.44	319.60	2.07	-45.37
C[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061842	0	39	-1.0	-46.34	312.71	-0.41	-46.75
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061843	0	39	-1.0	-47.21	315.01	2.38	-44.83
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)CC#N	REAL250005061844	0	36	-1.0	-56.25	301.56	1.52	-54.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)CCF	REAL250005061845	0	38	-1.0	-46.67	308.68	1.97	-44.70
C[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061846	0	39	-1.0	-51.55	317.16	-0.70	-52.25
C=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005061847	0	36	-1.0	-47.16	293.94	1.58	-45.58
CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005061848	0	41	-1.0	-47.83	323.62	2.00	-45.83
CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005061849	0	38	-1.0	-47.92	301.39	1.13	-46.79
O=C(CO)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005061850	0	39	-1.0	-52.66	313.53	-1.06	-53.72
CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005061851	0	41	-1.0	-46.03	319.81	1.71	-44.32
CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005061852	0	38	-1.0	-46.41	299.50	0.90	-45.51
O=C(CO)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005061853	0	39	-1.0	-49.97	310.28	-1.21	-51.18
C=CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005061854	0	39	-1.0	-46.54	311.66	1.43	-45.11
CCC(=O)N1CCCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061855	0	41	-1.0	-52.10	321.62	2.00	-50.10
CC(=O)N1CCCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005061856	0	38	-1.0	-52.95	305.80	1.42	-51.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CO)C1	REAL250005061857	0	39	-1.0	-57.42	312.09	-0.89	-58.31
CCC(=O)NC(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005061858	0	41	-1.0	-46.44	318.47	1.72	-44.72
CC(=O)NC(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005061859	0	38	-1.0	-46.78	303.97	1.25	-45.53
CC(NC(=O)CO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005061860	0	39	-1.0	-50.53	308.94	-1.20	-51.73
C=CC(=O)NC(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005061861	0	39	-1.0	-46.94	310.32	1.46	-45.48
CCC(=O)N1CCCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005061862	0	41	-1.0	-51.70	314.75	3.09	-48.61
CC(=O)N1CCCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005061863	0	38	-1.0	-51.53	292.68	2.20	-49.33
CC1CCCN(C(=O)CO)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005061864	0	39	-1.0	-56.72	305.22	-0.03	-56.75
CCC(=O)NCC1C(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005061865	0	41	-1.0	-48.01	315.81	2.65	-45.36
CC(=O)NCC1C(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005061866	0	38	-1.0	-48.75	290.77	2.07	-46.68
CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CO	REAL250005061867	0	39	-1.0	-52.08	306.28	-0.26	-52.34
C=CC(=O)NCC1C(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005061868	0	39	-1.0	-48.68	307.67	2.38	-46.30
CC(=O)N1CCC(CCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061869	0	41	-1.0	-49.45	323.14	3.20	-46.25
CC(=O)N(C)CCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005061870	0	41	-1.0	-54.76	323.86	3.05	-51.71
CCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061871	0	37	-1.0	-43.86	306.96	0.07	-43.79
COCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061872	0	41	-1.0	-44.36	340.63	-0.86	-45.22
CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061873	0	34	-1.0	-44.54	283.23	-0.96	-45.50
CC(C)C(CNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005061874	0	38	-1.0	-44.03	314.00	0.62	-43.41
CC(C)C(CNC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005061875	0	41	-1.0	-43.75	330.26	1.12	-42.63
CC(C)C(CNC(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005061876	0	41	-1.0	-44.08	334.46	1.39	-42.69
COCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061877	0	38	-1.0	-46.60	316.24	-0.78	-47.38
CCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061878	0	40	-1.0	-43.91	325.02	0.62	-43.29
CC(C)CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061879	0	43	-1.0	-43.76	340.10	1.52	-42.24
CC(C)C(CNC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061880	0	41	-1.0	-44.18	333.77	1.60	-42.58
CCOCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061881	0	41	-1.0	-46.51	338.10	0.18	-46.33
CC(C)=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061882	0	41	-1.0	-44.08	331.55	1.47	-42.61
CCCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061883	0	43	-1.0	-43.62	349.95	1.62	-42.00
CC(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061884	0	40	-1.0	-43.66	323.07	0.51	-43.15
CCC(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061885	0	43	-1.0	-43.60	341.20	1.16	-42.44
COC(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061886	0	41	-1.0	-46.26	334.38	0.23	-46.03
C=CCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061887	0	41	-1.0	-43.84	337.83	1.19	-42.65
CC=C(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061888	0	41	-1.0	-44.24	331.84	1.13	-43.11
CC(C)C(CNC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005061889	0	41	-1.0	-43.82	331.80	1.21	-42.61
CC(C)C(CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061890	0	41	-1.0	-43.87	335.41	1.30	-42.57
CC(C)C(CNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061891	0	41	-1.0	-43.98	335.42	1.29	-42.69
CC(C)C(CNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005061892	0	35	-1.0	-47.18	298.87	-4.82	-52.00
CC(C)C(CNC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061893	0	43	-1.0	-43.47	341.96	1.07	-42.40
C=CCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061894	0	38	-1.0	-44.17	316.43	0.40	-43.77
CC(C)C(CNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061895	0	43	0.0	-63.56	337.46	0.88	-62.68
CC(C)C(CNC(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061895	1	42	-1.0	-44.46	337.03	-1.82	-46.28
C=CC(O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061896	0	39	-1.0	-45.01	323.23	-1.23	-46.24
CC(C)C(CNC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005061897	0	39	-1.0	-44.89	319.77	-1.26	-46.15
CO[C@H](C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061898	0	41	-1.0	-46.04	336.03	-0.08	-46.12
CCC=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061899	0	41	-1.0	-44.35	336.53	1.53	-42.82
CC(C)C(CNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005061901	0	35	-1.0	-47.96	293.99	-3.07	-51.03
CC(C)C(CNC(=O)C(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005061902	0	38	-1.0	-44.42	314.32	-2.28	-46.70
CC(C)C(CNC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005061903	0	38	-1.0	-44.41	320.83	0.71	-43.70
CC(C)C(CNC(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005061904	0	37	-1.0	-44.27	308.47	0.30	-43.97
CC(C)C(CNC(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005061905	0	38	-1.0	-45.14	326.72	0.79	-44.35
C#CCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061906	0	39	-1.0	-44.67	330.80	1.14	-43.53
CC(C)C(CNC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005061907	0	39	-1.0	-47.34	320.73	-0.29	-47.63
CC(C)C(CNC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005061908	0	41	-1.0	-43.78	337.44	-2.51	-46.29
CC1=CC1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061909	0	39	-1.0	-45.53	327.99	1.71	-43.82
CC(C)C(CNC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005061910	0	38	-1.0	-47.59	312.97	-2.00	-49.59
CC(C)C(CNC(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005061911	0	39	-1.0	-46.77	328.20	-2.90	-49.67
CC(C)C(CNC(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005061912	0	39	-1.0	-45.05	323.42	1.58	-43.47
CON=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061913	0	38	-1.0	-47.24	324.34	-1.26	-48.50
CC(C)C(CNC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005061914	0	38	-1.0	-44.80	320.22	0.66	-44.14
CC=C(F)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061915	0	38	-1.0	-44.54	320.42	0.84	-43.70
CC(C)C(CNC(=O)C(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005061916	0	41	-1.0	-44.56	337.09	-2.56	-47.12
CC(C)C(CNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005061917	0	38	-1.0	-47.42	313.01	-1.99	-49.41
C=C1CC1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061918	0	39	-1.0	-44.23	331.04	1.41	-42.82
C=C(C)CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061919	0	41	-1.0	-44.15	337.78	1.05	-43.10
CC=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061920	0	38	-1.0	-44.40	317.10	0.46	-43.94
CC(C)C(CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061921	0	41	-1.0	-43.87	335.41	1.30	-42.57
CC(C)C(CNC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005061922	0	39	-1.0	-44.51	325.44	-2.15	-46.66
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005061923	0	41	-1.0	-44.37	334.46	1.36	-43.01
COCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061924	0	38	-1.0	-47.08	316.26	-0.90	-47.98
CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061925	0	40	-1.0	-44.09	323.93	0.97	-43.12
CC(C)CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061926	0	43	-1.0	-44.15	344.84	1.49	-42.66
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005061927	0	41	-1.0	-44.14	333.77	1.58	-42.56
CCOCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061928	0	41	-1.0	-47.41	341.19	0.46	-46.95
CC(C)=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061929	0	41	-1.0	-43.68	332.89	1.14	-42.54
CCCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061930	0	43	-1.0	-44.51	349.61	1.68	-42.83
CC(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061931	0	40	-1.0	-43.85	321.98	0.88	-42.97
CCC(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061932	0	43	-1.0	-43.91	341.19	1.15	-42.76
COC(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061933	0	41	-1.0	-46.79	334.94	0.17	-46.62
C=CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061934	0	41	-1.0	-44.38	337.84	1.16	-43.22
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C#N	REAL250005061935	0	38	-1.0	-50.49	325.58	0.42	-50.07
CC=C(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061936	0	41	-1.0	-44.44	330.73	1.52	-42.92
CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061937	0	37	-1.0	-44.32	303.53	-0.17	-44.49
COCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061938	0	41	-1.0	-44.67	337.21	-1.10	-45.77
CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061939	0	34	-1.0	-44.65	282.12	-0.60	-45.25
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005061940	0	38	-1.0	-44.25	314.05	0.60	-43.65
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005061941	0	41	-1.0	-44.28	333.34	1.42	-42.86
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005061942	0	35	-1.0	-45.58	298.88	-4.83	-50.41
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005061943	0	43	-1.0	-43.71	340.31	1.38	-42.33
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005061944	0	41	-1.0	-43.95	331.80	1.20	-42.75
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005061945	0	41	-1.0	-44.14	335.42	1.27	-42.87
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005061946	0	41	-1.0	-44.16	335.43	1.27	-42.89
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005061947	0	35	-1.0	-48.50	294.01	-3.18	-51.68
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005061948	0	39	-1.0	-47.55	320.35	-0.33	-47.88
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005061949	0	39	-1.0	-44.85	320.88	-1.66	-46.51
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005061950	0	39	-1.0	-47.96	331.29	-2.60	-50.56
CCC=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061951	0	41	-1.0	-44.69	341.27	1.52	-43.17
C#CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061952	0	39	-1.0	-44.75	329.71	1.49	-43.26
C=CC(O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061953	0	39	-1.0	-45.12	326.44	-1.50	-46.62
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)O	REAL250005061954	0	38	-1.0	-44.56	314.34	-2.42	-46.98
CC(=O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061955	0	36	-1.0	-44.09	305.78	-1.02	-45.11
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005061956	0	38	-1.0	-44.32	323.32	0.96	-43.36
CC=C(F)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061957	0	38	-1.0	-43.53	325.15	0.83	-42.70
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CO	REAL250005061958	0	41	-1.0	-44.92	333.66	-2.78	-47.70
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005061959	0	39	-1.0	-45.06	322.37	-2.48	-47.54
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005061960	0	39	-1.0	-44.94	323.42	1.56	-43.38
CC=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061961	0	38	-1.0	-44.39	315.99	0.83	-43.56
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005061962	0	38	-1.0	-46.51	323.28	0.56	-45.95
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005061964	0	38	-1.0	-45.65	314.33	-2.42	-48.07
CON=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061965	0	38	-1.0	-47.40	325.99	-1.58	-48.98
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005061966	0	41	-1.0	-44.14	335.42	1.27	-42.87
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005061967	0	41	-1.0	-44.09	337.09	-2.45	-46.54
C=C(C)CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061968	0	41	-1.0	-44.65	340.88	1.32	-43.33
C=CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061969	0	38	-1.0	-44.60	315.34	0.75	-43.85
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005061970	0	43	0.0	-63.94	342.20	0.86	-63.08
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005061970	1	42	-1.0	-45.07	340.12	-1.52	-46.59
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC#N	REAL250005061971	0	35	-1.0	-52.12	303.00	-0.49	-52.61
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005061972	0	38	-1.0	-43.62	320.84	0.69	-42.93
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005061973	0	37	-1.0	-44.16	309.02	0.35	-43.81
CO[C@H](C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061974	0	41	-1.0	-46.51	334.39	0.12	-46.39
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005061975	0	38	-1.0	-45.58	312.68	-2.10	-47.68
C=C1CC1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061976	0	39	-1.0	-44.17	326.52	1.55	-42.62
CC1=CC1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061977	0	39	-1.0	-45.23	327.95	1.70	-43.53
C=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005061978	0	35	-1.0	-44.99	298.46	-0.13	-45.12
CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061979	0	34	-1.0	-56.50	286.08	1.79	-54.71
COCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061980	0	38	-1.0	-55.28	319.75	0.86	-54.42
CN(CCN(C)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005061981	0	35	-1.0	-46.01	297.38	2.52	-43.49
CN(CCN(C)C(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005061982	0	38	-1.0	-56.65	312.38	3.04	-53.61
CN(CCN(C)C(=O)C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005061983	0	41	-1.0	-56.92	328.16	3.56	-53.36
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005061984	0	38	-1.0	-56.92	317.01	3.33	-53.59
CN(CCN(C)C(=O)C(C)(C)F)C(=O)C1=CC(=O)[N-]O1	REAL250005061985	0	37	-1.0	-53.24	306.60	2.23	-51.01
CN(CCN(C)C(=O)C(C)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005061986	0	34	-1.0	-43.16	295.61	1.84	-41.32
COCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061987	0	35	-1.0	-60.44	298.80	1.18	-59.26
CCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061988	0	37	-1.0	-56.38	307.58	2.55	-53.83
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CO1	REAL250005061989	0	35	-1.0	-56.52	302.99	2.15	-54.37
CC(=O)NCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061990	0	38	-1.0	-55.33	324.76	-0.59	-55.92
CC(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061991	0	40	-1.0	-55.88	324.31	3.15	-52.73
CC1CC1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061992	0	38	-1.0	-46.03	317.44	3.20	-42.83
CCOCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061993	0	38	-1.0	-60.55	320.66	2.13	-58.42
CC(C)=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061994	0	38	-1.0	-45.69	315.00	3.09	-42.60
CN(CCN(C)C(=O)C1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005061995	0	39	-1.0	-61.68	318.44	2.19	-59.49
CSCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061996	0	35	-1.0	-59.43	309.14	2.24	-57.19
CC(C)CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061997	0	43	-1.0	-56.41	346.64	3.85	-52.56
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN1	REAL250005061998	0	36	-1.0	-60.21	304.11	2.15	-58.06
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=C1	REAL250005061999	0	35	-1.0	-49.15	299.99	1.78	-47.37
CCCCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062000	0	43	-1.0	-56.43	350.58	4.11	-52.32
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)C	REAL250005062001	0	43	-1.0	-45.06	339.54	3.69	-41.37
CCCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062002	0	40	-1.0	-56.49	329.08	3.33	-53.16
CC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062003	0	37	-1.0	-56.59	300.71	2.17	-54.42
CCC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062004	0	40	-1.0	-46.01	319.11	2.81	-43.20
CCC(CC)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062005	0	43	-1.0	-56.28	342.89	3.58	-52.70
CN(CCN(C)C(=O)C1=NNC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062006	0	35	-1.0	-58.23	301.59	0.83	-57.40
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1	REAL250005062006	1	35	-1.0	-46.37	298.90	0.64	-45.73
CCOC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062007	0	41	-1.0	-48.62	337.42	2.63	-45.99
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNN=C1	REAL250005062008	0	35	-1.0	-48.03	298.77	0.13	-47.90
COCCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062009	0	41	-1.0	-59.55	341.25	1.62	-57.93
CN(CCN(C)C(=O)C1=NOC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062010	0	34	-1.0	-55.64	297.87	1.60	-54.04
CCC=C(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062011	0	41	-1.0	-46.49	328.20	3.36	-43.13
COC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062012	0	38	-1.0	-60.85	313.48	1.64	-59.21
CC(C)OCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062013	0	41	-1.0	-60.55	340.93	2.87	-57.68
CCCOCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062014	0	41	-1.0	-60.35	342.16	2.94	-57.41
CN(CCN(C)C(=O)C1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062015	0	39	-1.0	-47.77	316.94	0.95	-46.82
CCC(OC)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062016	0	41	-1.0	-59.20	334.26	2.45	-56.75
COC(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062017	0	41	-1.0	-57.67	338.89	2.38	-55.29
C=CCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062018	0	38	-1.0	-56.14	320.39	3.11	-53.03
CCOCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062019	0	41	-1.0	-55.16	341.61	1.83	-53.33
COCC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062020	0	41	-1.0	-45.44	333.82	1.28	-44.16
C=CCOCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062021	0	39	-1.0	-60.90	333.56	2.71	-58.19
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=N1	REAL250005062022	0	34	-1.0	-47.68	298.46	-0.42	-48.10
CCCC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062023	0	43	-1.0	-45.98	340.61	3.57	-42.41
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CC1	REAL250005062024	0	41	-1.0	-56.53	339.20	4.12	-52.41
CN(CCN(C)C(=O)C1CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062025	0	39	-1.0	-45.60	318.80	3.40	-42.20
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCC1	REAL250005062026	0	41	-1.0	-56.87	333.99	3.81	-53.06
CC(C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005062027	0	41	-1.0	-45.96	332.91	3.70	-42.26
CC=C(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062028	0	38	-1.0	-46.45	312.09	2.69	-43.76
CC1CC(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005062029	0	41	-1.0	-45.59	332.01	3.60	-41.99
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CCC1	REAL250005062030	0	39	-1.0	-46.40	324.69	3.78	-42.62
CC(C)=C(F)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062031	0	38	-1.0	-45.25	326.37	2.93	-42.32
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCC1	REAL250005062032	0	39	-1.0	-46.25	317.80	3.34	-42.91
CN(CCN(C)C(=O)C1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005062033	0	41	-1.0	-45.47	332.66	3.74	-41.73
CN(CCN(C)C(=O)[C@H]1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005062034	0	41	-1.0	-55.66	332.41	3.74	-51.92
CN(CCN(C)C(=O)[C@@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005062035	0	39	-1.0	-61.21	319.00	2.22	-58.99
CCC(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062036	0	43	-1.0	-56.00	342.54	3.81	-52.19
C#CCCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062037	0	39	-1.0	-59.49	334.86	3.85	-55.64
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)O	REAL250005062038	0	41	-1.0	-58.06	333.32	0.95	-57.11
CC(C)[C@@H](O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062039	0	41	-1.0	-45.66	326.99	0.99	-44.67
CCC(C)=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062040	0	41	-1.0	-45.34	336.69	3.83	-41.51
CC(C)C#CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062041	0	39	-1.0	-56.67	336.31	3.82	-52.85
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C#CC1CC1	REAL250005062042	0	37	-1.0	-57.08	325.99	4.00	-53.08
C=C(C)CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062043	0	41	-1.0	-55.76	341.74	3.77	-51.99
CN(CCN(C)C(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062044	0	38	-1.0	-56.70	313.89	2.83	-53.87
CN(CCN(C)C(=O)[C@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005062045	0	39	-1.0	-49.50	319.73	2.22	-47.28
CN(CCN(C)C(=O)C1=NNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062046	0	34	-1.0	-45.65	297.12	-0.62	-46.27
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(C)CC1	REAL250005062047	0	41	-1.0	-56.18	337.56	3.82	-52.36
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CO1	REAL250005062048	0	34	-1.0	-47.30	298.62	-1.14	-48.44
C=CC(C)(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062049	0	41	-1.0	-57.21	324.32	2.88	-54.33
C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062050	0	38	-1.0	-56.57	318.77	3.20	-53.37
CN(CCN(C)C(=O)C1(C)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062051	0	41	-1.0	-57.48	325.04	3.19	-54.29
CCC(F)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062052	0	37	-1.0	-46.63	313.05	2.54	-44.09
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCF	REAL250005062053	0	37	-1.0	-59.52	314.17	2.69	-56.83
C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062054	0	38	-1.0	-46.15	316.77	3.17	-42.98
C=CCCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062055	0	41	-1.0	-56.86	341.89	3.90	-52.96
CCC(C)(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062056	0	43	-1.0	-57.29	329.82	2.97	-54.32
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005062057	0	32	-1.0	-50.89	278.95	-2.85	-53.74
CC1CC1CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062058	0	41	-1.0	-56.98	338.41	3.99	-52.99
CCC1(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062059	0	41	-1.0	-57.10	336.00	3.57	-53.53
CN(CCN(C)C(=O)C1(CF)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062060	0	38	-1.0	-45.03	319.09	2.91	-42.12
CN(CCN(C)C(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005062061	0	40	-1.0	-46.00	315.58	2.48	-43.52
CC(C)C(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062062	0	43	-1.0	-45.62	338.82	3.42	-42.20
CC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062063	0	41	-1.0	-56.73	339.29	3.95	-52.78
CN(CCN(C)C(=O)C1CC12CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005062064	0	39	-1.0	-46.30	328.52	3.98	-42.32
CN(CCN(C)C(=O)[C@@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005062065	0	36	-1.0	-53.32	309.96	-1.96	-55.28
CN(CCN(C)C(=O)[C@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005062066	0	36	-1.0	-64.52	310.57	-1.62	-66.14
COC1(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062067	0	39	-1.0	-53.64	327.35	1.50	-52.14
CN(CCN(C)C(=O)C1CSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062068	0	36	-1.0	-45.77	310.79	2.62	-43.15
C=CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062069	0	35	-1.0	-56.60	298.99	2.33	-54.27
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005062070	0	40	0.0	-74.02	321.67	2.47	-71.55
CN(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062070	1	39	-1.0	-56.78	319.58	0.07	-56.71
C=CC(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062071	0	36	-1.0	-46.26	302.88	0.18	-46.08
CN(CCN(C)C(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062072	0	36	-1.0	-56.41	302.13	0.22	-56.19
CO[C@H](C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062073	0	38	-1.0	-60.66	313.22	1.63	-59.03
CC=CC(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062074	0	39	-1.0	-46.07	324.59	1.03	-45.04
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062075	0	43	0.0	-72.05	336.17	2.78	-69.27
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005062075	1	42	-1.0	-46.03	328.45	0.20	-45.83
CCC=C(F)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062076	0	38	-1.0	-51.73	322.22	3.10	-48.63
CCC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062077	0	38	-1.0	-46.17	320.19	3.16	-43.01
CN(CCN(C)C(=O)C(C)(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005062079	0	41	-1.0	-55.99	324.87	-0.71	-56.70
CN(CCN(C)C(=O)C1(F)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062080	0	38	-1.0	-44.46	316.16	2.99	-41.47
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005062081	0	32	-1.0	-62.13	276.55	-1.11	-63.24
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(N)=O	REAL250005062082	0	36	-1.0	-48.49	315.49	-1.58	-50.07
CC(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062083	0	35	-1.0	-56.59	293.75	-0.52	-57.11
CN(CCN(C)C(=O)C1(O)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062084	0	39	-1.0	-44.82	321.54	-0.01	-44.83
CN(CCN(C)C(=O)C(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062085	0	39	-1.0	-56.13	323.02	0.91	-55.22
C=CCC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062086	0	41	-1.0	-45.75	333.61	3.40	-42.35
CN(CCN(C)C(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005062087	0	35	-1.0	-44.71	303.59	2.61	-42.10
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062088	0	43	0.0	-72.05	336.17	2.78	-69.27
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005062088	1	42	-1.0	-46.03	328.45	0.20	-45.83
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005062089	0	34	-1.0	-54.51	292.67	1.93	-52.58
CN(CCN(C)C(=O)C1(O)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062090	0	37	-1.0	-56.30	312.14	-2.78	-59.08
CC(C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005062091	0	39	-1.0	-56.63	333.55	3.85	-52.78
CCC1CC1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062092	0	41	-1.0	-46.03	339.57	3.97	-42.06
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC1	REAL250005062093	0	39	-1.0	-61.21	328.44	-0.18	-61.39
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005062094	0	35	-1.0	-48.18	305.28	2.51	-45.67
C#CCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062095	0	36	-1.0	-55.78	313.36	3.07	-52.71
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC1	REAL250005062096	0	40	-1.0	-47.57	327.72	-0.31	-47.88
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005062096	1	41	0.0	-69.92	332.03	2.90	-67.02
C#C[C@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062097	0	37	-1.0	-48.89	319.66	3.68	-45.21
CN(CCN(C)C(=O)C1C2CCC21)C(=O)C1=CC(=O)[N-]O1	REAL250005062098	0	39	-1.0	-46.05	319.49	3.85	-42.20
C=C1CCC1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062099	0	39	-1.0	-55.89	321.77	3.38	-52.51
C[C@H]1C(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005062100	0	41	-1.0	-45.27	326.40	3.72	-41.55
C[C@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062101	0	43	0.0	-72.19	338.04	2.83	-69.36
C[C@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005062101	1	42	-1.0	-56.33	328.02	0.17	-56.16
CC=CC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062102	0	39	-1.0	-46.30	334.26	3.83	-42.47
COCC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062103	0	39	-1.0	-48.13	332.45	1.43	-46.70
CN(CCN(C)C(=O)C1(C)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062104	0	39	-1.0	-45.99	318.48	0.56	-45.43
CN(CCN(C)C(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005062105	0	36	-1.0	-62.69	303.29	1.34	-61.35
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCN=[N+]=[N-]	REAL250005062106	0	36	-1.0	-54.20	316.24	-1.60	-55.80
C#CCOCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062107	0	37	-1.0	-63.49	326.44	2.67	-60.82
CN(CCN(C)C(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005062108	0	38	-1.0	-62.71	306.67	-0.21	-62.92
CC1=CC1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062109	0	36	-1.0	-56.80	310.86	3.21	-53.59
CN(C)C(=O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062110	0	38	-1.0	-48.49	324.35	0.30	-48.19
CSC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062111	0	36	-1.0	-45.76	321.11	2.71	-43.05
CCC(C)(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062112	0	41	-1.0	-44.72	326.85	-0.07	-44.79
CC[N@H+](C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062113	0	43	0.0	-69.42	339.67	3.15	-66.27
CC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062113	1	43	0.0	-73.41	339.39	3.10	-70.31
CCN(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062113	1	42	-1.0	-56.89	337.55	0.86	-56.03
C=C1CC(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005062114	0	39	-1.0	-55.91	325.00	3.52	-52.39
CN(CCN(C)C(=O)C1CCC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005062115	0	38	-1.0	-61.61	315.62	3.07	-58.54
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=N1	REAL250005062116	0	35	-1.0	-57.87	301.50	2.21	-55.66
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN1	REAL250005062116	1	35	-1.0	-49.56	298.92	1.89	-47.67
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCO1	REAL250005062117	0	37	-1.0	-54.43	311.39	1.90	-52.53
CCC[C@H](O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062118	0	41	-1.0	-56.55	333.98	0.99	-55.56
CC(C)[C@H](O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062119	0	41	-1.0	-55.92	326.95	0.97	-54.95
CCOC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062120	0	39	-1.0	-46.04	332.13	2.01	-44.03
C[C@@H](O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062121	0	35	-1.0	-46.71	292.04	-0.56	-47.27
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005062122	0	36	-1.0	-49.51	310.20	-0.97	-50.48
COC(C)(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062123	0	41	-1.0	-61.61	321.64	1.77	-59.84
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCCO	REAL250005062124	0	41	-1.0	-57.06	340.50	0.00	-57.06
CN(CCN(C)C(=O)C1(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062125	0	39	-1.0	-49.76	327.56	-0.49	-50.25
COC(F)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062126	0	35	-1.0	-48.49	304.00	0.64	-47.85
CN(CCN(C)C(=O)C12CC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005062127	0	39	-1.0	-46.41	321.83	3.60	-42.81
C=C[C@H](C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062128	0	41	-1.0	-55.60	337.09	3.65	-51.95
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1CC1	REAL250005062129	0	39	-1.0	-56.61	330.81	3.95	-52.66
CC=C(CC)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062130	0	41	-1.0	-46.10	340.23	3.60	-42.50
C=CC(C)(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062131	0	39	-1.0	-44.96	320.26	0.05	-44.91
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005062132	0	36	-1.0	-58.07	302.50	2.88	-55.19
CON=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062133	0	35	-1.0	-47.94	307.99	0.34	-47.60
CN(CCN(C)C(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062134	0	35	-1.0	-53.07	300.83	2.51	-50.56
CN(CCN(C)C(=O)C1=NOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062135	0	36	-1.0	-44.89	308.29	0.89	-44.00
C#CC(C)(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062136	0	39	-1.0	-59.98	321.38	2.91	-57.07
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC1	REAL250005062137	0	39	-1.0	-61.71	331.02	2.92	-58.79
CN(CCN(C)C(=O)C1=NC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005062138	0	35	-1.0	-47.29	302.61	1.32	-45.97
CCCC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062139	0	41	-1.0	-45.98	341.69	3.93	-42.05
CC=C(F)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062140	0	35	-1.0	-51.99	301.92	2.36	-49.63
CCC(CO)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062141	0	41	-1.0	-45.83	335.54	-0.33	-46.16
CC(CO)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062142	0	38	-1.0	-45.95	311.57	-1.12	-47.07
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CON=C1	REAL250005062143	0	34	-1.0	-55.80	294.41	1.13	-54.67
CN(CCN(C)C(=O)[C@@H]1C[C@H]1CF)C(=O)C1=CC(=O)[N-]O1	REAL250005062144	0	38	-1.0	-48.05	325.15	3.32	-44.73
C#CC1(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062145	0	37	-1.0	-55.00	317.37	3.28	-51.72
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCC1	REAL250005062146	0	37	-1.0	-47.01	306.22	1.27	-45.74
C[C@H](O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062147	0	35	-1.0	-61.79	293.83	-0.56	-62.35
CN(CCN(C)C(=O)C1C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062148	0	39	-1.0	-45.70	317.23	3.35	-42.35
CC(O)C(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062149	0	41	-1.0	-60.16	327.22	0.84	-59.32
C=C1CC1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062150	0	36	-1.0	-46.14	309.64	3.11	-43.03
CC(CF)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062151	0	37	-1.0	-44.91	306.78	2.29	-42.62
C=C(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062152	0	38	-1.0	-56.10	320.61	2.98	-53.12
CC(C)=C(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062153	0	41	-1.0	-56.72	338.10	3.57	-53.15
CCCC(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062154	0	41	-1.0	-55.92	336.13	1.05	-54.87
CCC(O)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062155	0	41	-1.0	-60.56	338.25	0.92	-59.64
CC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062156	0	35	-1.0	-46.38	299.10	2.40	-43.98
CN(CCN(C)C(=O)C1(C)CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005062157	0	38	-1.0	-44.53	321.81	2.91	-41.62
CN(CCN(C)C(=O)[C@H]1C[C@@H](O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062158	0	39	-1.0	-61.38	323.56	-0.40	-61.78
C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062159	0	38	-1.0	-56.57	318.77	3.20	-53.37
CNC(=O)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062160	0	38	-1.0	-70.56	322.17	0.81	-69.75
C=CC=CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062161	0	39	-1.0	-57.23	334.24	3.75	-53.48
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC(N)=O	REAL250005062162	0	38	-1.0	-55.69	323.76	-1.38	-57.07
CC(O)CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062163	0	41	-1.0	-55.53	339.39	0.04	-55.49
C#CCC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062164	0	39	-1.0	-45.86	326.59	3.35	-42.51
CC(CCO)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062165	0	41	-1.0	-49.59	330.53	-0.54	-50.13
CN(CCN(C)C(=O)[C@H](O)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005062166	0	35	-1.0	-56.59	299.64	-0.38	-56.97
CN(CCN(C)C(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062167	0	36	-1.0	-53.86	307.71	-0.76	-54.62
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005062168	0	38	-1.0	-56.92	317.01	3.33	-53.59
CN(CCN(C)C(=O)C(C)(C)F)C(=O)C1=CC(=O)[N-]O1	REAL250005062169	0	37	-1.0	-53.24	306.60	2.23	-51.01
CN(CCN(C)C(=O)C(C)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005062170	0	34	-1.0	-43.16	295.61	1.84	-41.32
COCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062171	0	35	-1.0	-60.44	298.80	1.18	-59.26
CCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062172	0	37	-1.0	-56.38	307.58	2.55	-53.83
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CO1	REAL250005062173	0	35	-1.0	-56.52	302.99	2.15	-54.37
CC(=O)NCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062174	0	38	-1.0	-55.33	324.76	-0.59	-55.92
CC(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062175	0	40	-1.0	-55.88	324.31	3.15	-52.73
CC1CC1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062176	0	38	-1.0	-46.03	317.44	3.20	-42.83
CCOCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062177	0	38	-1.0	-60.55	320.66	2.13	-58.42
CC(C)=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062178	0	38	-1.0	-45.69	315.00	3.09	-42.60
CN(CCN(C)C(=O)C1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005062179	0	39	-1.0	-61.68	318.44	2.19	-59.49
CSCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062180	0	35	-1.0	-59.43	309.14	2.24	-57.19
CC(C)CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062181	0	43	-1.0	-56.41	346.64	3.85	-52.56
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN1	REAL250005062182	0	36	-1.0	-60.21	304.11	2.15	-58.06
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=C1	REAL250005062183	0	35	-1.0	-49.15	299.99	1.78	-47.37
CCCCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062184	0	43	-1.0	-56.43	350.58	4.11	-52.32
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)C	REAL250005062185	0	43	-1.0	-45.06	339.54	3.69	-41.37
CCCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062186	0	40	-1.0	-56.49	329.08	3.33	-53.16
CC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062187	0	37	-1.0	-56.59	300.71	2.17	-54.42
CCC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062188	0	40	-1.0	-46.01	319.11	2.81	-43.20
CCC(CC)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062189	0	43	-1.0	-56.28	342.89	3.58	-52.70
CN(CCN(C)C(=O)C1=NNC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062190	0	35	-1.0	-58.23	301.59	0.83	-57.40
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1	REAL250005062190	1	35	-1.0	-46.37	298.90	0.64	-45.73
CCOC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062191	0	41	-1.0	-48.62	337.42	2.63	-45.99
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNN=C1	REAL250005062192	0	35	-1.0	-48.03	298.77	0.13	-47.90
COCCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062193	0	41	-1.0	-59.55	341.25	1.62	-57.93
CN(CCN(C)C(=O)C1=NOC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062194	0	34	-1.0	-55.64	297.87	1.60	-54.04
CCC=C(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062195	0	41	-1.0	-46.49	328.20	3.36	-43.13
COC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062196	0	38	-1.0	-60.85	313.48	1.64	-59.21
CC(C)OCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062197	0	41	-1.0	-60.55	340.93	2.87	-57.68
CCCOCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062198	0	41	-1.0	-60.35	342.16	2.94	-57.41
CN(CCN(C)C(=O)C1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062199	0	39	-1.0	-47.77	316.94	0.95	-46.82
CCC(OC)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062200	0	41	-1.0	-59.20	334.26	2.45	-56.75
COC(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062201	0	41	-1.0	-57.67	338.89	2.38	-55.29
C=CCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062202	0	38	-1.0	-56.14	320.39	3.11	-53.03
CCOCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062203	0	41	-1.0	-55.16	341.61	1.83	-53.33
COCC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062204	0	41	-1.0	-45.44	333.82	1.28	-44.16
C=CCOCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062205	0	39	-1.0	-60.90	333.56	2.71	-58.19
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=N1	REAL250005062206	0	34	-1.0	-47.68	298.46	-0.42	-48.10
CC(C#N)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062207	0	35	-1.0	-64.30	301.97	1.84	-62.46
CCCC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062208	0	43	-1.0	-45.98	340.61	3.57	-42.41
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CC1	REAL250005062209	0	41	-1.0	-56.53	339.20	4.12	-52.41
CN(CCN(C)C(=O)C1CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062210	0	39	-1.0	-45.60	318.80	3.40	-42.20
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCC1	REAL250005062211	0	41	-1.0	-56.87	333.99	3.81	-53.06
CC(C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005062212	0	41	-1.0	-45.96	332.91	3.70	-42.26
CC=C(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062213	0	38	-1.0	-46.45	312.09	2.69	-43.76
CC1CC(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005062214	0	41	-1.0	-45.59	332.01	3.60	-41.99
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CCC1	REAL250005062215	0	39	-1.0	-46.40	324.69	3.78	-42.62
CC(C)=C(F)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062216	0	38	-1.0	-45.25	326.37	2.93	-42.32
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCC1	REAL250005062217	0	39	-1.0	-46.25	317.80	3.34	-42.91
CN(CCN(C)C(=O)C1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005062218	0	41	-1.0	-45.47	332.66	3.74	-41.73
CN(CCN(C)C(=O)[C@H]1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005062219	0	41	-1.0	-55.66	332.41	3.74	-51.92
CN(CCN(C)C(=O)[C@@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005062220	0	39	-1.0	-61.21	319.00	2.22	-58.99
CCC(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062221	0	43	-1.0	-56.00	342.54	3.81	-52.19
C#CCCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062222	0	39	-1.0	-59.49	334.86	3.85	-55.64
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)O	REAL250005062223	0	41	-1.0	-58.06	333.32	0.95	-57.11
CC(C)[C@@H](O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062224	0	41	-1.0	-45.66	326.99	0.99	-44.67
CCC(C)=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062225	0	41	-1.0	-45.34	336.69	3.83	-41.51
CC(C)C#CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062226	0	39	-1.0	-56.67	336.31	3.82	-52.85
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C#CC1CC1	REAL250005062227	0	37	-1.0	-57.08	325.99	4.00	-53.08
CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062228	0	34	-1.0	-56.50	286.08	1.79	-54.71
COCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062229	0	38	-1.0	-55.28	319.75	0.86	-54.42
CN(CCN(C)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062230	0	35	-1.0	-46.01	297.38	2.52	-43.49
CN(CCN(C)C(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062231	0	38	-1.0	-56.65	312.38	3.04	-53.61
CN(CCN(C)C(=O)C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062232	0	41	-1.0	-56.92	328.16	3.56	-53.36
C=CCCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062233	0	41	-1.0	-56.86	341.89	3.90	-52.96
CCC(C)(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062234	0	43	-1.0	-57.29	329.82	2.97	-54.32
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005062235	0	32	-1.0	-50.89	278.95	-2.85	-53.74
CC1CC1CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062236	0	41	-1.0	-56.98	338.41	3.99	-52.99
CCC1(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062237	0	41	-1.0	-57.10	336.00	3.57	-53.53
CN(CCN(C)C(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005062238	0	40	-1.0	-46.00	315.58	2.48	-43.52
C=C(C)CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062239	0	41	-1.0	-55.76	341.74	3.77	-51.99
CN(CCN(C)C(=O)C1(CF)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062240	0	38	-1.0	-45.03	319.09	2.91	-42.12
CC(C)C(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062241	0	43	-1.0	-45.62	338.82	3.42	-42.20
CC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062242	0	41	-1.0	-56.73	339.29	3.95	-52.78
CN(CCN(C)C(=O)C1CC12CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005062243	0	39	-1.0	-46.30	328.52	3.98	-42.32
CN(CCN(C)C(=O)[C@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005062244	0	39	-1.0	-49.50	319.73	2.22	-47.28
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(C)CC1	REAL250005062245	0	41	-1.0	-56.18	337.56	3.82	-52.36
CN(CCN(C)C(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062246	0	38	-1.0	-56.70	313.89	2.83	-53.87
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=C1	REAL250005062247	0	36	-1.0	-64.17	303.87	1.55	-62.62
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CO1	REAL250005062248	0	34	-1.0	-47.30	298.62	-1.14	-48.44
C=CC(C)(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062249	0	41	-1.0	-57.21	324.32	2.88	-54.33
C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062250	0	38	-1.0	-56.57	318.77	3.20	-53.37
CN(CCN(C)C(=O)C1(C)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062251	0	41	-1.0	-57.48	325.04	3.19	-54.29
CCC(F)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062252	0	37	-1.0	-46.63	313.05	2.54	-44.09
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCF	REAL250005062253	0	37	-1.0	-59.52	314.17	2.69	-56.83
C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062254	0	38	-1.0	-46.15	316.77	3.17	-42.98
CN(CCN(C)C(=O)C1=NNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062255	0	34	-1.0	-45.65	297.12	-0.62	-46.27
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005062256	0	32	-1.0	-62.13	276.55	-1.11	-63.24
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(N)=O	REAL250005062257	0	36	-1.0	-48.49	315.49	-1.58	-50.07
COC(=O)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062258	0	37	-1.0	-65.75	318.03	2.74	-63.01
CSC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062259	0	36	-1.0	-45.76	321.11	2.71	-43.05
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC(N)=O	REAL250005062260	0	38	-1.0	-55.69	323.76	-1.38	-57.07
CN(CCN(C)C(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005062261	0	36	-1.0	-62.69	303.29	1.34	-61.35
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCO1	REAL250005062262	0	37	-1.0	-54.43	311.39	1.90	-52.53
CN(CCN(C)C(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062263	0	36	-1.0	-56.41	302.13	0.22	-56.19
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005062264	0	36	-1.0	-49.51	310.20	-0.97	-50.48
CC=CC(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062265	0	39	-1.0	-46.07	324.59	1.03	-45.04
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062266	0	43	0.0	-72.05	336.17	2.78	-69.27
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005062266	1	42	-1.0	-46.03	328.45	0.20	-45.83
CCC=C(F)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062267	0	38	-1.0	-51.73	322.22	3.10	-48.63
CCC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062268	0	38	-1.0	-46.17	320.19	3.16	-43.01
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCN=[N+]=[N-]	REAL250005062269	0	36	-1.0	-54.20	316.24	-1.60	-55.80
C#CCOCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062270	0	37	-1.0	-63.49	326.44	2.67	-60.82
CC(O)CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062271	0	41	-1.0	-55.53	339.39	0.04	-55.49
C#CCCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062272	0	36	-1.0	-55.78	313.36	3.07	-52.71
CC=CC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062273	0	39	-1.0	-46.30	334.26	3.83	-42.47
COCC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062274	0	39	-1.0	-48.13	332.45	1.43	-46.70
CCC(C)(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062275	0	41	-1.0	-44.72	326.85	-0.07	-44.79
C#CCC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062276	0	39	-1.0	-45.86	326.59	3.35	-42.51
C=CC(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062277	0	36	-1.0	-46.26	302.88	0.18	-46.08
CN(CCN(C)C(=O)C12CC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005062278	0	39	-1.0	-46.41	321.83	3.60	-42.81
C=C[C@H](C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062279	0	41	-1.0	-55.60	337.09	3.65	-51.95
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1CC1	REAL250005062280	0	39	-1.0	-56.61	330.81	3.95	-52.66
CCC(C#N)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062281	0	38	-1.0	-47.11	323.90	2.45	-44.66
CN(CCN(C)C(=O)C1C2CCC21)C(=O)C1=CC(=O)[N-]O1	REAL250005062282	0	39	-1.0	-46.05	319.49	3.85	-42.20
C=C1CCC1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062283	0	39	-1.0	-55.89	321.77	3.38	-52.51
C[C@H]1C(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005062284	0	41	-1.0	-45.27	326.40	3.72	-41.55
CC[N@H+](C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062285	0	43	0.0	-69.42	339.67	3.15	-66.27
CC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062285	1	43	0.0	-73.41	339.39	3.10	-70.31
CCN(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062285	1	42	-1.0	-56.89	337.55	0.86	-56.03
CC(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062286	0	35	-1.0	-56.59	293.75	-0.52	-57.11
CC(=O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062287	0	33	-1.0	-44.03	286.17	0.95	-43.08
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC#N	REAL250005062288	0	38	-1.0	-65.43	328.43	3.07	-62.36
CN(CCN(C)C(=O)C1(C#N)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062289	0	36	-1.0	-52.56	311.84	2.35	-50.21
C=C1CC(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005062290	0	39	-1.0	-55.91	325.00	3.52	-52.39
CN(CCN(C)C(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062291	0	35	-1.0	-53.07	300.83	2.51	-50.56
COC(C)(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062292	0	41	-1.0	-61.61	321.64	1.77	-59.84
CC(CC#N)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062293	0	38	-1.0	-47.37	320.16	2.53	-44.84
CCC1CC1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062294	0	41	-1.0	-46.03	339.57	3.97	-42.06
C=CC(C)(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062295	0	39	-1.0	-44.96	320.26	0.05	-44.91
CCCC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062296	0	41	-1.0	-45.98	341.69	3.93	-42.05
CC=C(F)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062297	0	35	-1.0	-51.99	301.92	2.36	-49.63
C[C@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062298	0	43	0.0	-72.19	338.04	2.83	-69.36
C[C@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005062298	1	42	-1.0	-56.33	328.02	0.17	-56.16
CCOC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062299	0	39	-1.0	-46.04	332.13	2.01	-44.03
CC(=O)OCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062300	0	37	-1.0	-58.35	322.15	2.76	-55.59
CC(=O)C=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062301	0	37	-1.0	-46.94	322.49	2.28	-44.66
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC1	REAL250005062302	0	39	-1.0	-61.71	331.02	2.92	-58.79
CN(CCN(C)C(=O)C1=NC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005062303	0	35	-1.0	-47.29	302.61	1.32	-45.97
CC(CO)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062304	0	38	-1.0	-45.95	311.57	-1.12	-47.07
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CON=C1	REAL250005062305	0	34	-1.0	-55.80	294.41	1.13	-54.67
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCCO	REAL250005062306	0	41	-1.0	-57.06	340.50	0.00	-57.06
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)C1CC1	REAL250005062307	0	37	-1.0	-43.78	317.78	2.55	-41.23
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC1	REAL250005062308	0	39	-1.0	-61.21	328.44	-0.18	-61.39
CN(CCN(C)C(=O)C1CCC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005062309	0	38	-1.0	-61.61	315.62	3.07	-58.54
CN(CCN(C)C(=O)[C@@H]1C[C@H]1CF)C(=O)C1=CC(=O)[N-]O1	REAL250005062310	0	38	-1.0	-48.05	325.15	3.32	-44.73
CCC(CO)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062311	0	41	-1.0	-45.83	335.54	-0.33	-46.16
CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005062312	0	36	-1.0	-56.31	313.74	2.82	-53.49
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCC1	REAL250005062313	0	37	-1.0	-47.01	306.22	1.27	-45.74
CN(CCN(C)C(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062314	0	36	-1.0	-53.86	307.71	-0.76	-54.62
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005062315	0	36	-1.0	-58.07	302.50	2.88	-55.19
CC(CF)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062316	0	37	-1.0	-44.91	306.78	2.29	-42.62
CC=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062317	0	35	-1.0	-46.38	299.10	2.40	-43.98
CN(CCN(C)C(=O)C1(C)CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005062318	0	38	-1.0	-44.53	321.81	2.91	-41.62
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005062319	0	35	-1.0	-48.18	305.28	2.51	-45.67
CN(CCN(C)C(=O)C1(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062320	0	39	-1.0	-49.76	327.56	-0.49	-50.25
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NO1	REAL250005062321	0	34	-1.0	-45.06	298.37	1.41	-43.65
C[C@H](O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062323	0	35	-1.0	-61.79	293.83	-0.56	-62.35
CON=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062324	0	35	-1.0	-47.94	307.99	0.34	-47.60
CC(C)[C@H](O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062325	0	41	-1.0	-55.92	326.95	0.97	-54.95
C#CC1(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062326	0	37	-1.0	-55.00	317.37	3.28	-51.72
C=CC=CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062327	0	39	-1.0	-57.23	334.24	3.75	-53.48
C#C[C@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062328	0	37	-1.0	-48.89	319.66	3.68	-45.21
CC=C(CC)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062329	0	41	-1.0	-46.10	340.23	3.60	-42.50
COC(F)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062330	0	35	-1.0	-48.49	304.00	0.64	-47.85
CN(CCN(C)C(=O)[C@@H]1C[C@H]1C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005062331	0	36	-1.0	-48.33	316.54	2.93	-45.40
CN(CCN(C)C(=O)[C@H]1C[C@@H](O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062332	0	39	-1.0	-61.38	323.56	-0.40	-61.78
CN(CCN(C)C(=O)C(C)(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005062333	0	41	-1.0	-55.99	324.87	-0.71	-56.70
C=CCC(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062334	0	41	-1.0	-45.75	333.61	3.40	-42.35
C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062335	0	38	-1.0	-56.57	318.77	3.20	-53.37
CN(CCN(C)C(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005062336	0	38	-1.0	-62.71	306.67	-0.21	-62.92
CN(CCN(C)C(=O)C1=NOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062337	0	36	-1.0	-44.89	308.29	0.89	-44.00
CC(C#N)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062338	0	38	-1.0	-54.74	323.63	2.83	-51.91
CC(CCO)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062339	0	41	-1.0	-49.59	330.53	-0.54	-50.13
CN(CCN(C)C(=O)[C@H](O)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005062340	0	35	-1.0	-56.59	299.64	-0.38	-56.97
CN(CCN(C)C(=O)C1(O)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062341	0	39	-1.0	-44.82	321.54	-0.01	-44.83
CN(CCN(C)C(=O)C(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062342	0	39	-1.0	-56.13	323.02	0.91	-55.22
C=C(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062343	0	38	-1.0	-56.10	320.61	2.98	-53.12
CN(CCN(C)C(=O)C(C)(C)C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005062344	0	38	-1.0	-64.54	314.94	2.03	-62.51
CC(C)=C(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062345	0	41	-1.0	-56.72	338.10	3.57	-53.15
CNC(=O)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062346	0	38	-1.0	-70.56	322.17	0.81	-69.75
CN(CCN(C)C(=O)C1CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062347	0	38	-1.0	-54.61	318.04	3.07	-51.54
C=CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062348	0	35	-1.0	-56.60	298.99	2.33	-54.27
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005062349	0	40	0.0	-74.02	321.67	2.47	-71.55
CN(C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062349	1	39	-1.0	-56.78	319.58	0.07	-56.71
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005062350	0	32	-1.0	-66.03	285.54	1.46	-64.57
CN(CCN(C)C(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005062351	0	35	-1.0	-44.71	303.59	2.61	-42.10
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062352	0	43	0.0	-72.05	336.17	2.78	-69.27
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005062352	1	42	-1.0	-46.03	328.45	0.20	-45.83
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005062353	0	34	-1.0	-54.51	292.67	1.93	-52.58
CN(CCN(C)C(=O)C1C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062354	0	39	-1.0	-45.70	317.23	3.35	-42.35
C#CC(C)(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062355	0	39	-1.0	-59.98	321.38	2.91	-57.07
CO[C@H](C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062356	0	38	-1.0	-60.66	313.22	1.63	-59.03
CC(=O)CCC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062357	0	39	-1.0	-54.52	330.78	2.47	-52.05
C[C@@H](O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062358	0	35	-1.0	-46.71	292.04	-0.56	-47.27
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC1	REAL250005062359	0	40	-1.0	-47.57	327.72	-0.31	-47.88
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005062359	1	41	0.0	-69.92	332.03	2.90	-67.02
CC(O)C(C)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062360	0	41	-1.0	-60.16	327.22	0.84	-59.32
C=C1CC1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062361	0	36	-1.0	-46.14	309.64	3.11	-43.03
CN(CCN(C)C(=O)C1(C)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062362	0	39	-1.0	-45.99	318.48	0.56	-45.43
CN(CCN(C)C(=O)C1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005062363	0	36	-1.0	-63.92	310.04	-1.88	-65.80
CN(CCN(C)C(=O)[C@@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005062364	0	36	-1.0	-53.32	309.96	-1.96	-55.28
CCC[C@H](O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062365	0	41	-1.0	-56.55	333.98	0.99	-55.56
CN(CCN(C)C(=O)C1(F)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062366	0	38	-1.0	-44.46	316.16	2.99	-41.47
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=N1	REAL250005062367	0	35	-1.0	-57.87	301.50	2.21	-55.66
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN1	REAL250005062367	1	35	-1.0	-49.56	298.92	1.89	-47.67
CN(CCN(C)C(=O)C1CC(=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062368	0	37	-1.0	-57.39	314.03	2.08	-55.31
CN(CCN(C)C(=O)C1(O)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062369	0	37	-1.0	-56.30	312.14	-2.78	-59.08
CC(C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005062370	0	39	-1.0	-56.63	333.55	3.85	-52.78
CC1=CC1C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062371	0	36	-1.0	-56.80	310.86	3.21	-53.59
CN(C)C(=O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062372	0	38	-1.0	-48.49	324.35	0.30	-48.19
CCCC(O)C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062373	0	41	-1.0	-55.92	336.13	1.05	-54.87
CCC(O)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062374	0	41	-1.0	-60.56	338.25	0.92	-59.64
CN(CCN(C)C(=O)[C@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005062375	0	36	-1.0	-64.52	310.57	-1.62	-66.14
COC1(C(=O)N(C)CCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062376	0	39	-1.0	-53.64	327.35	1.50	-52.14
CN(CCN(C)C(=O)C1CSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005062377	0	36	-1.0	-45.77	310.79	2.62	-43.15
C=CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062378	0	32	-1.0	-46.62	277.38	1.52	-45.10
CN(CCN(C)C(=O)C1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005062379	0	36	-1.0	-63.92	310.04	-1.88	-65.80
CN(CCN(C)C(=O)C1CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005062380	0	38	-1.0	-54.61	318.04	3.07	-51.54
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NO1	REAL250005062381	0	34	-1.0	-45.06	298.37	1.41	-43.65
CCC(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062382	0	38	-1.0	-45.04	312.36	0.75	-44.29
CC(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062383	0	35	-1.0	-45.35	291.76	-0.06	-45.41
O=C(NCC1CCCC1NC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005062384	0	39	-1.0	-47.67	327.69	1.19	-46.48
COCC(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062385	0	39	-1.0	-50.87	329.89	-0.23	-51.10
CCCC(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062386	0	41	-1.0	-44.80	333.85	1.52	-43.28
CC(C)C(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062387	0	41	-1.0	-44.57	331.91	1.40	-43.17
NC(=O)C(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062388	0	36	-1.0	-46.98	307.70	-3.92	-50.90
C=CCC(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062389	0	39	-1.0	-45.16	325.27	1.28	-43.88
O=C(CO)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062390	0	36	-1.0	-49.15	302.83	-2.17	-51.32
CC(O)C(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062391	0	39	-1.0	-51.61	328.39	-1.79	-53.40
O=C(CCF)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062392	0	38	-1.0	-44.62	318.95	0.89	-43.73
C[C@@H](O)C(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062393	0	39	-1.0	-48.16	328.44	-1.81	-49.97
C[C@H](O)C(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062394	0	39	-1.0	-48.24	327.96	-1.74	-49.98
CC=CC(=O)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005062395	0	39	-1.0	-45.28	325.93	1.36	-43.92
COCC(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062396	0	39	-1.0	-56.19	325.06	0.12	-56.07
CCCC(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062397	0	41	-1.0	-52.50	333.84	1.52	-50.98
CC(C)C(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062398	0	41	-1.0	-52.33	331.89	1.42	-50.91
CCC(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062399	0	38	-1.0	-52.61	312.34	0.75	-51.86
CC(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062400	0	35	-1.0	-52.53	291.75	-0.06	-52.59
O=C(NC1CCCC1CNC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005062401	0	39	-1.0	-52.41	322.87	1.53	-50.88
NC(=O)C(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062402	0	36	-1.0	-48.08	307.69	-3.92	-52.00
O=C(CO)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062403	0	36	-1.0	-57.80	302.81	-2.17	-59.97
CC(O)C(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062404	0	39	-1.0	-52.99	323.14	-1.39	-54.38
CC(=O)C(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062405	0	37	-1.0	-47.77	314.09	-0.12	-47.89
CC=CC(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062406	0	39	-1.0	-52.52	325.92	1.35	-51.17
C[C@H](O)C(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062407	0	39	-1.0	-57.46	322.64	-1.35	-58.81
C=CCC(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062408	0	39	-1.0	-52.63	325.26	1.30	-51.33
N#CCC(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062409	0	36	-1.0	-62.60	311.81	0.42	-62.18
O=C(CCF)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062410	0	38	-1.0	-51.07	318.93	0.89	-50.18
C[C@@H](O)C(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062411	0	39	-1.0	-52.99	323.08	-1.37	-54.36
C=CC(=O)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005062412	0	36	-1.0	-52.63	304.19	0.47	-52.16
CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062413	0	32	-1.0	-48.22	284.98	-4.83	-53.05
COCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062414	0	36	-1.0	-48.04	318.66	-5.76	-53.80
O=C(NCC(O)CNC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005062415	0	33	-1.0	-48.01	295.50	-4.06	-52.07
O=C(NCC(O)CNC(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005062416	0	36	-1.0	-47.82	311.72	-3.56	-51.38
O=C(NCC(O)CNC(=O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005062417	0	39	-1.0	-47.71	328.02	-2.95	-50.66
O=C(CC1CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062418	0	36	-1.0	-48.28	315.93	-3.31	-51.59
CC(C)(F)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062419	0	35	-1.0	-47.15	310.66	-4.12	-51.27
CC(F)(F)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062420	0	32	-1.0	-46.00	296.83	-4.65	-50.65
COCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062421	0	33	-1.0	-51.23	297.71	-5.46	-56.69
CCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062422	0	35	-1.0	-47.97	306.48	-4.06	-52.03
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL250005062423	0	33	-1.0	-49.06	304.61	-4.53	-53.59
CC(C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062424	0	38	-1.0	-47.53	323.21	-3.48	-51.01
CC1CC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062425	0	36	-1.0	-47.89	316.88	-3.39	-51.28
CCOCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062426	0	36	-1.0	-51.18	319.56	-4.50	-55.68
CC(C)=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062427	0	36	-1.0	-47.41	314.47	-3.53	-50.94
O=C(NCC(O)CNC(=O)C1CCCO1)C1=CC(=O)[N-]O1	REAL250005062428	0	37	-1.0	-51.51	321.01	-4.28	-55.79
CSCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062429	0	33	-1.0	-50.35	308.05	-4.40	-54.75
CC(C)CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062430	0	41	-1.0	-47.81	345.55	-2.78	-50.59
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CN1	REAL250005062431	0	34	-1.0	-50.61	307.49	-4.74	-55.35
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=COC=C1	REAL250005062432	0	33	-1.0	-51.45	303.76	-4.56	-56.01
CCCCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062433	0	41	-1.0	-47.98	349.48	-2.50	-50.48
CC(C)(C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062434	0	41	-1.0	-46.75	338.18	-2.95	-49.70
CCCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062435	0	38	-1.0	-47.95	327.98	-3.28	-51.23
CC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062436	0	35	-1.0	-47.85	304.53	-4.16	-52.01
CCC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062437	0	38	-1.0	-47.74	322.66	-3.52	-51.26
CCC(CC)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062438	0	41	-1.0	-47.67	338.51	-3.03	-50.70
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=NN1	REAL250005062439	0	33	-1.0	-49.21	302.19	-6.06	-55.27
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CNN=C1	REAL250005062440	0	33	-1.0	-50.37	302.48	-6.10	-56.47
O=C(NCC(O)CNC(=O)C1=NOC=C1)C1=CC(=O)[N-]O1	REAL250005062441	0	32	-1.0	-50.08	299.08	-5.29	-55.37
CCC=C(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062442	0	39	-1.0	-48.11	333.69	-2.76	-50.87
COC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062443	0	36	-1.0	-50.91	316.69	-4.71	-55.62
O=C(NCC(O)CNC(=O)C1CCOC1)C1=CC(=O)[N-]O1	REAL250005062444	0	37	-1.0	-49.56	319.01	-5.53	-55.09
C=CCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062445	0	36	-1.0	-47.96	319.29	-3.50	-51.46
C=CCOCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062446	0	37	-1.0	-51.47	332.46	-3.93	-55.40
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=COC=N1	REAL250005062447	0	32	-1.0	-49.91	299.39	-7.93	-57.84
CCCC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062448	0	41	-1.0	-47.69	344.16	-2.76	-50.45
O=C(CCC1CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062449	0	39	-1.0	-48.11	338.11	-2.52	-50.63
O=C(NCC(O)CNC(=O)C1CC=CC1)C1=CC(=O)[N-]O1	REAL250005062450	0	37	-1.0	-47.79	320.52	-3.09	-50.88
O=C(CC1CCC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062451	0	39	-1.0	-48.04	332.89	-2.77	-50.81
CC(C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005062452	0	39	-1.0	-48.00	333.84	-2.73	-50.73
CC=C(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062453	0	36	-1.0	-48.30	313.30	-3.56	-51.86
CC1CC(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005062454	0	39	-1.0	-47.53	331.45	-2.96	-50.49
O=C(C=C1CCC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062455	0	37	-1.0	-48.34	324.15	-2.85	-51.19
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CCCC1	REAL250005062456	0	37	-1.0	-48.05	321.57	-2.97	-51.02
CC1(C)CC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062457	0	39	-1.0	-47.27	332.11	-2.86	-50.13
CC1(C)C[C@@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062458	0	39	-1.0	-47.22	332.12	-2.84	-50.06
O=C(NCC(O)CNC(=O)[C@@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005062459	0	37	-1.0	-51.31	321.12	-4.23	-55.54
CCC(C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062460	0	41	-1.0	-47.54	341.44	-2.81	-50.35
C#CCCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062461	0	37	-1.0	-50.67	333.76	-2.76	-53.43
CCC(C)=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062462	0	39	-1.0	-47.09	336.14	-2.78	-49.87
CC(C)C#CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062463	0	37	-1.0	-48.96	334.38	-2.81	-51.77
O=C(C#CC1CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062464	0	35	-1.0	-49.19	324.06	-2.65	-51.84
C=C(C)CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062465	0	39	-1.0	-47.65	340.91	-2.84	-50.49
CC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062466	0	36	-1.0	-47.82	313.26	-3.47	-51.29
O=C(NCC(O)CNC(=O)[C@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005062467	0	37	-1.0	-51.65	321.40	-4.27	-55.92
O=C(NCC(O)CNC(=O)C1=NNN=C1)C1=CC(=O)[N-]O1	REAL250005062468	0	32	-1.0	-48.13	297.90	-7.51	-55.64
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CN=NN1	REAL250005062468	1	32	-1.0	-49.95	296.99	-7.44	-57.39
CC1(CC(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062469	0	39	-1.0	-47.70	335.91	-2.80	-50.50
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CN=CO1	REAL250005062470	0	32	-1.0	-49.80	299.40	-7.85	-57.65
C=CC(C)(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062471	0	39	-1.0	-47.96	332.18	-3.21	-51.17
C[C@@H]1C[C@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062472	0	36	-1.0	-47.94	316.89	-3.41	-51.35
CC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005062473	0	39	-1.0	-47.82	328.91	-3.05	-50.87
CCC(F)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062474	0	35	-1.0	-48.74	312.76	-4.03	-52.77
O=C(CCCF)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062475	0	35	-1.0	-50.56	313.07	-3.92	-54.48
C[C@H]1C[C@@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062476	0	36	-1.0	-47.97	316.89	-3.41	-51.38
C=CCCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062477	0	39	-1.0	-48.36	340.79	-2.72	-51.08
CCC(C)(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062478	0	41	-1.0	-47.79	337.64	-3.11	-50.90
NC(=O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062479	0	30	-1.0	-48.08	280.33	-9.50	-57.58
CC1CC1CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062480	0	39	-1.0	-48.24	337.31	-2.62	-50.86
CCC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062481	0	39	-1.0	-47.95	337.95	-2.88	-50.83
CC(C)(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062482	0	38	-1.0	-47.72	323.42	-3.60	-51.32
CC(C)C(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062483	0	41	-1.0	-47.16	338.56	-2.96	-50.12
CC[C@@H]1C[C@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062484	0	39	-1.0	-47.85	338.29	-2.62	-50.47
O=C(NCC(O)CNC(=O)C1CC12CC2)C1=CC(=O)[N-]O1	REAL250005062485	0	37	-1.0	-48.28	327.95	-2.59	-50.87
O=C(NCC(O)CNC(=O)[C@@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005062486	0	34	-1.0	-55.76	309.43	-8.48	-64.24
O=C(NCC(O)CNC(=O)[C@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005062487	0	34	-1.0	-55.24	309.93	-8.15	-63.39
COC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062488	0	37	-1.0	-49.93	323.50	-4.30	-54.23
C=CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062489	0	33	-1.0	-48.30	297.89	-4.29	-52.59
C[NH+](C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062490	0	38	0.0	-71.12	320.57	-4.11	-75.23
CN(C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062490	1	37	-1.0	-48.51	318.49	-6.50	-55.01
C=CC(O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062491	0	34	-1.0	-48.55	308.99	-6.42	-54.97
O=C(NCC(O)CNC(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005062492	0	34	-1.0	-48.75	302.34	-6.32	-55.07
CO[C@H](C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062493	0	36	-1.0	-50.94	317.50	-4.78	-55.72
CC=CC(O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062494	0	37	-1.0	-48.32	330.70	-5.56	-53.88
CCC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062495	0	36	-1.0	-48.01	319.65	-3.47	-51.48
O=C(CO)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062497	0	30	-1.0	-52.76	275.45	-7.75	-60.51
NC(=O)C=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062498	0	34	-1.0	-51.13	314.95	-8.19	-59.32
CC(O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062499	0	33	-1.0	-48.94	295.78	-6.97	-55.91
O=C(NCC(O)CNC(=O)C1(O)CCC1)C1=CC(=O)[N-]O1	REAL250005062500	0	37	-1.0	-48.06	319.82	-6.60	-54.66
O=C(NCC(O)CNC(=O)C(O)C1CC1)C1=CC(=O)[N-]O1	REAL250005062501	0	37	-1.0	-48.19	327.77	-5.41	-53.60
C=CCC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062502	0	39	-1.0	-47.54	337.16	-2.93	-50.47
O=C(NCC(O)CNC(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005062503	0	33	-1.0	-51.43	301.71	-3.99	-55.42
O=C(CCF)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062504	0	32	-1.0	-47.60	291.58	-4.69	-52.29
CC(C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005062505	0	37	-1.0	-48.83	327.76	-2.60	-51.43
CCC1CC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062506	0	39	-1.0	-47.86	338.29	-2.62	-50.48
O=C(CC1(O)CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062507	0	37	-1.0	-51.69	326.58	-6.80	-58.49
O=C(C=CCF)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062508	0	33	-1.0	-50.07	304.74	-4.11	-54.18
C#CCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062509	0	34	-1.0	-48.27	312.26	-3.54	-51.81
O=C(CN1CCC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062510	0	38	-1.0	-49.38	326.35	-6.93	-56.31
C#C[C@H]1C[C@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062511	0	35	-1.0	-50.68	318.38	-2.90	-53.58
O=C(NCC(O)CNC(=O)C1C2CCC21)C1=CC(=O)[N-]O1	REAL250005062512	0	37	-1.0	-47.89	318.20	-2.75	-50.64
C=C1CCC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062513	0	37	-1.0	-47.26	324.54	-3.10	-50.36
C[C@H]1C(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005062514	0	39	-1.0	-47.84	333.37	-2.84	-50.68
CC=CC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062515	0	37	-1.0	-48.19	333.73	-2.78	-50.97
COCC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062516	0	37	-1.0	-50.04	331.91	-5.19	-55.23
CC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005062517	0	37	-1.0	-48.28	320.68	-5.75	-54.03
O=C(NCC(O)CNC(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005062518	0	34	-1.0	-51.07	302.51	-5.28	-56.35
[N-]=[N+]=NCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062519	0	34	-1.0	-47.58	315.12	-8.21	-55.79
C#CCOCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062520	0	35	-1.0	-53.88	325.35	-3.97	-57.85
CC(C)(O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062521	0	36	-1.0	-47.03	315.46	-7.41	-54.44
CC1=CC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062522	0	34	-1.0	-48.79	310.55	-3.38	-52.17
C=C1CC(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005062523	0	37	-1.0	-47.61	325.23	-3.06	-50.67
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CN=CN1	REAL250005062524	0	33	-1.0	-52.00	302.31	-4.99	-56.99
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CCCO1	REAL250005062525	0	35	-1.0	-47.92	313.08	-4.95	-52.87
CCOC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062526	0	37	-1.0	-48.11	331.63	-4.60	-52.71
C[C@@H](O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062527	0	33	-1.0	-49.03	295.79	-6.98	-56.01
O=C(C=CCO)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062528	0	34	-1.0	-51.33	309.66	-7.59	-58.92
O=C(NCC(O)CNC(=O)C1(CO)CC1)C1=CC(=O)[N-]O1	REAL250005062529	0	37	-1.0	-51.40	327.92	-6.90	-58.30
COC(F)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062530	0	33	-1.0	-51.20	303.60	-6.00	-57.20
O=C(NCC(O)CNC(=O)C12CC1CC2)C1=CC(=O)[N-]O1	REAL250005062531	0	37	-1.0	-48.18	323.96	-2.88	-51.06
C=C[C@H](C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062532	0	39	-1.0	-47.37	336.00	-2.95	-50.32
O=C(C=CC1CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062533	0	37	-1.0	-48.04	330.55	-2.66	-50.70
CC=C(CC)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062534	0	39	-1.0	-47.99	334.33	-2.85	-50.84
C=CC(C)(O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062535	0	37	-1.0	-47.27	325.65	-6.67	-53.94
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005062536	0	34	-1.0	-48.83	305.99	-3.49	-52.32
CON=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062537	0	33	-1.0	-50.92	307.45	-6.26	-57.18
O=C(NCC(O)CNC(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005062538	0	33	-1.0	-46.65	301.71	-4.02	-50.67
O=C(NCC(O)CNC(=O)C1=NOCC1)C1=CC(=O)[N-]O1	REAL250005062539	0	34	-1.0	-48.05	309.03	-5.99	-54.04
C#CC(C)(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062540	0	37	-1.0	-50.19	329.23	-3.16	-53.35
O=C(COC1CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062541	0	37	-1.0	-51.93	329.93	-3.72	-55.65
O=C(NCC(O)CNC(=O)C1=NC=CN1)C1=CC(=O)[N-]O1	REAL250005062542	0	33	-1.0	-50.05	303.44	-5.80	-55.85
CCCC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062543	0	39	-1.0	-47.87	341.15	-2.69	-50.56
CC=C(F)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062544	0	33	-1.0	-46.41	303.53	-4.16	-50.57
CC(CO)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062545	0	36	-1.0	-48.15	315.11	-7.45	-55.60
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CON=C1	REAL250005062546	0	32	-1.0	-49.22	298.71	-5.12	-54.34
C#CC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062547	0	35	-1.0	-47.61	321.20	-3.00	-50.61
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=COCC1	REAL250005062548	0	35	-1.0	-48.60	311.68	-5.00	-53.60
C[C@H](O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062549	0	33	-1.0	-48.98	295.78	-6.98	-55.96
O=C(NCC(O)CNC(=O)C1C=CCC1)C1=CC(=O)[N-]O1	REAL250005062550	0	37	-1.0	-47.64	320.55	-3.05	-50.69
C=C1CC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062551	0	34	-1.0	-48.15	309.07	-3.49	-51.64
CC(CF)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062552	0	35	-1.0	-47.04	310.33	-4.04	-51.08
C=C(C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062553	0	36	-1.0	-48.09	319.24	-3.64	-51.73
CC(C)=C(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062554	0	39	-1.0	-47.45	329.47	-2.84	-50.29
CC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062555	0	33	-1.0	-48.25	298.56	-4.23	-52.48
O=C(NCC(O)CNC(=O)[C@H]1C[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005062556	0	37	-1.0	-51.45	323.13	-6.99	-58.44
C[C@@H]1C[C@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062557	0	36	-1.0	-47.94	316.89	-3.41	-51.35
C=CC=CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062558	0	37	-1.0	-48.78	333.15	-2.86	-51.64
C#CCC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062559	0	37	-1.0	-47.80	330.14	-2.98	-50.78
O=C(NCC(O)CNC(=O)[C@H](O)CF)C1=CC(=O)[N-]O1	REAL250005062560	0	33	-1.0	-50.07	302.09	-6.81	-56.88
O=C(NCC(O)CNC(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005062561	0	34	-1.0	-47.84	303.82	-7.14	-54.98
O=C(CC1CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062562	0	36	-1.0	-48.28	315.93	-3.31	-51.59
CC(C)(F)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062563	0	35	-1.0	-47.15	310.66	-4.12	-51.27
CC(F)(F)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062564	0	32	-1.0	-46.00	296.83	-4.65	-50.65
COCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062565	0	33	-1.0	-51.23	297.71	-5.46	-56.69
CCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062566	0	35	-1.0	-47.97	306.48	-4.06	-52.03
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL250005062567	0	33	-1.0	-49.06	304.61	-4.53	-53.59
CC(C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062568	0	38	-1.0	-47.53	323.21	-3.48	-51.01
CC1CC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062569	0	36	-1.0	-47.89	316.88	-3.39	-51.28
CCOCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062570	0	36	-1.0	-51.18	319.56	-4.50	-55.68
CC(C)=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062571	0	36	-1.0	-47.41	314.47	-3.53	-50.94
O=C(NCC(O)CNC(=O)C1CCCO1)C1=CC(=O)[N-]O1	REAL250005062572	0	37	-1.0	-51.51	321.01	-4.28	-55.79
CSCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062573	0	33	-1.0	-50.35	308.05	-4.40	-54.75
CC(C)CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062574	0	41	-1.0	-47.81	345.55	-2.78	-50.59
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CN1	REAL250005062575	0	34	-1.0	-50.61	307.49	-4.74	-55.35
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=COC=C1	REAL250005062576	0	33	-1.0	-51.45	303.76	-4.56	-56.01
CCCCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062577	0	41	-1.0	-47.98	349.48	-2.50	-50.48
CC(C)(C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062578	0	41	-1.0	-46.75	338.18	-2.95	-49.70
CCCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062579	0	38	-1.0	-47.95	327.98	-3.28	-51.23
CC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062580	0	35	-1.0	-47.85	304.53	-4.16	-52.01
CCC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062581	0	38	-1.0	-47.74	322.66	-3.52	-51.26
CCC(CC)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062582	0	41	-1.0	-47.67	338.51	-3.03	-50.70
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=NN1	REAL250005062583	0	33	-1.0	-49.21	302.19	-6.06	-55.27
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CNN=C1	REAL250005062584	0	33	-1.0	-50.37	302.48	-6.10	-56.47
O=C(NCC(O)CNC(=O)C1=NOC=C1)C1=CC(=O)[N-]O1	REAL250005062585	0	32	-1.0	-50.08	299.08	-5.29	-55.37
CCC=C(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062586	0	39	-1.0	-48.11	333.69	-2.76	-50.87
COC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062587	0	36	-1.0	-50.91	316.69	-4.71	-55.62
O=C(NCC(O)CNC(=O)C1CCOC1)C1=CC(=O)[N-]O1	REAL250005062588	0	37	-1.0	-49.56	319.01	-5.53	-55.09
C=CCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062589	0	36	-1.0	-47.96	319.29	-3.50	-51.46
C=CCOCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062590	0	37	-1.0	-51.47	332.46	-3.93	-55.40
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=COC=N1	REAL250005062591	0	32	-1.0	-49.91	299.39	-7.93	-57.84
CC(C#N)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062592	0	33	-1.0	-54.65	303.96	-4.54	-59.19
CCCC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062593	0	41	-1.0	-47.69	344.16	-2.76	-50.45
O=C(CCC1CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062594	0	39	-1.0	-48.11	338.11	-2.52	-50.63
O=C(NCC(O)CNC(=O)C1CC=CC1)C1=CC(=O)[N-]O1	REAL250005062595	0	37	-1.0	-47.79	320.52	-3.09	-50.88
O=C(CC1CCC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062596	0	39	-1.0	-48.04	332.89	-2.77	-50.81
CC(C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005062597	0	39	-1.0	-48.00	333.84	-2.73	-50.73
CC=C(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062598	0	36	-1.0	-48.30	313.30	-3.56	-51.86
CC1CC(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005062599	0	39	-1.0	-47.53	331.45	-2.96	-50.49
O=C(C=C1CCC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062600	0	37	-1.0	-48.34	324.15	-2.85	-51.19
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CCCC1	REAL250005062601	0	37	-1.0	-48.05	321.57	-2.97	-51.02
CC1(C)CC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062602	0	39	-1.0	-47.27	332.11	-2.86	-50.13
CC1(C)C[C@@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062603	0	39	-1.0	-47.22	332.12	-2.84	-50.06
O=C(NCC(O)CNC(=O)[C@@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005062604	0	37	-1.0	-51.31	321.12	-4.23	-55.54
CCC(C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062605	0	41	-1.0	-47.54	341.44	-2.81	-50.35
C#CCCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062606	0	37	-1.0	-50.67	333.76	-2.76	-53.43
CCC(C)=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062607	0	39	-1.0	-47.09	336.14	-2.78	-49.87
CC(C)C#CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062608	0	37	-1.0	-48.96	334.38	-2.81	-51.77
O=C(C#CC1CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062609	0	35	-1.0	-49.19	324.06	-2.65	-51.84
CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062610	0	32	-1.0	-48.22	284.98	-4.83	-53.05
COCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062611	0	36	-1.0	-48.04	318.66	-5.76	-53.80
O=C(NCC(O)CNC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005062612	0	33	-1.0	-48.01	295.50	-4.06	-52.07
O=C(NCC(O)CNC(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005062613	0	36	-1.0	-47.82	311.72	-3.56	-51.38
O=C(NCC(O)CNC(=O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005062614	0	39	-1.0	-47.71	328.02	-2.95	-50.66
C=CCCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062615	0	39	-1.0	-48.36	340.79	-2.72	-51.08
CCC(C)(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062616	0	41	-1.0	-47.79	337.64	-3.11	-50.90
NC(=O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062617	0	30	-1.0	-48.08	280.33	-9.50	-57.58
CC1CC1CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062618	0	39	-1.0	-48.24	337.31	-2.62	-50.86
CCC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062619	0	39	-1.0	-47.95	337.95	-2.88	-50.83
CC(C)(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062620	0	38	-1.0	-47.72	323.42	-3.60	-51.32
C=C(C)CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062621	0	39	-1.0	-47.65	340.91	-2.84	-50.49
CC(C)C(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062622	0	41	-1.0	-47.16	338.56	-2.96	-50.12
CC[C@@H]1C[C@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062623	0	39	-1.0	-47.85	338.29	-2.62	-50.47
O=C(NCC(O)CNC(=O)C1CC12CC2)C1=CC(=O)[N-]O1	REAL250005062624	0	37	-1.0	-48.28	327.95	-2.59	-50.87
O=C(NCC(O)CNC(=O)[C@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005062625	0	37	-1.0	-51.65	321.40	-4.27	-55.92
CC1(CC(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062626	0	39	-1.0	-47.70	335.91	-2.80	-50.50
CC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062627	0	36	-1.0	-47.82	313.26	-3.47	-51.29
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CNC=C1	REAL250005062628	0	34	-1.0	-53.38	307.63	-4.67	-58.05
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CN=CO1	REAL250005062629	0	32	-1.0	-49.80	299.40	-7.85	-57.65
C=CC(C)(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062630	0	39	-1.0	-47.96	332.18	-3.21	-51.17
C[C@@H]1C[C@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062631	0	36	-1.0	-47.94	316.89	-3.41	-51.35
CC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005062632	0	39	-1.0	-47.82	328.91	-3.05	-50.87
CCC(F)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062633	0	35	-1.0	-48.74	312.76	-4.03	-52.77
O=C(CCCF)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062634	0	35	-1.0	-50.56	313.07	-3.92	-54.48
C[C@H]1C[C@@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062635	0	36	-1.0	-47.97	316.89	-3.41	-51.38
O=C(NCC(O)CNC(=O)C1=NNN=C1)C1=CC(=O)[N-]O1	REAL250005062636	0	32	-1.0	-48.13	297.90	-7.51	-55.64
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CN=NN1	REAL250005062636	1	32	-1.0	-49.95	296.99	-7.44	-57.39
O=C(CO)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062637	0	30	-1.0	-52.76	275.45	-7.75	-60.51
NC(=O)C=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062638	0	34	-1.0	-51.13	314.95	-8.19	-59.32
O=C(NCC(O)CNC(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005062639	0	34	-1.0	-51.07	302.51	-5.28	-56.35
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CCCO1	REAL250005062640	0	35	-1.0	-47.92	313.08	-4.95	-52.87
O=C(NCC(O)CNC(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005062641	0	34	-1.0	-48.75	302.34	-6.32	-55.07
O=C(C=CCO)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062642	0	34	-1.0	-51.33	309.66	-7.59	-58.92
CC=CC(O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062643	0	37	-1.0	-48.32	330.70	-5.56	-53.88
CCC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062644	0	36	-1.0	-48.01	319.65	-3.47	-51.48
[N-]=[N+]=NCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062645	0	34	-1.0	-47.58	315.12	-8.21	-55.79
C#CCOCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062646	0	35	-1.0	-53.88	325.35	-3.97	-57.85
C#CCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062647	0	34	-1.0	-48.27	312.26	-3.54	-51.81
CC=CC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062648	0	37	-1.0	-48.19	333.73	-2.78	-50.97
COCC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062649	0	37	-1.0	-50.04	331.91	-5.19	-55.23
C#CCC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062650	0	37	-1.0	-47.80	330.14	-2.98	-50.78
C=CC(O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062651	0	34	-1.0	-48.55	308.99	-6.42	-54.97
O=C(NCC(O)CNC(=O)C12CC1CC2)C1=CC(=O)[N-]O1	REAL250005062652	0	37	-1.0	-48.18	323.96	-2.88	-51.06
C=C[C@H](C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062653	0	39	-1.0	-47.37	336.00	-2.95	-50.32
O=C(C=CC1CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062654	0	37	-1.0	-48.04	330.55	-2.66	-50.70
CCC(C#N)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062655	0	36	-1.0	-49.81	324.59	-3.90	-53.71
O=C(NCC(O)CNC(=O)C1C2CCC21)C1=CC(=O)[N-]O1	REAL250005062656	0	37	-1.0	-47.89	318.20	-2.75	-50.64
C=C1CCC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062657	0	37	-1.0	-47.26	324.54	-3.10	-50.36
C[C@H]1C(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005062658	0	39	-1.0	-47.84	333.37	-2.84	-50.68
CC(O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062659	0	33	-1.0	-48.94	295.78	-6.97	-55.91
CC(=O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062660	0	31	-1.0	-46.91	287.25	-5.69	-52.60
N#CCCCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062661	0	36	-1.0	-56.06	327.34	-3.54	-59.60
N#CC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062662	0	34	-1.0	-48.68	314.77	-3.82	-52.50
C=C1CC(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005062663	0	37	-1.0	-47.61	325.23	-3.06	-50.67
O=C(NCC(O)CNC(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005062664	0	33	-1.0	-46.65	301.71	-4.02	-50.67
CC(CC#N)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062665	0	36	-1.0	-49.55	323.71	-3.80	-53.35
CCC1CC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062666	0	39	-1.0	-47.86	338.29	-2.62	-50.48
C=CC(C)(O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062667	0	37	-1.0	-47.27	325.65	-6.67	-53.94
CCCC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062668	0	39	-1.0	-47.87	341.15	-2.69	-50.56
CC=C(F)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062669	0	33	-1.0	-46.41	303.53	-4.16	-50.57
CCOC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062670	0	37	-1.0	-48.11	331.63	-4.60	-52.71
CC(=O)C=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062671	0	35	-1.0	-49.36	321.81	-4.35	-53.71
O=C(COC1CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062672	0	37	-1.0	-51.93	329.93	-3.72	-55.65
O=C(NCC(O)CNC(=O)C1=NC=CN1)C1=CC(=O)[N-]O1	REAL250005062673	0	33	-1.0	-50.05	303.44	-5.80	-55.85
CC(CO)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062674	0	36	-1.0	-48.15	315.11	-7.45	-55.60
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CON=C1	REAL250005062675	0	32	-1.0	-49.22	298.71	-5.12	-54.34
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005062676	0	35	-1.0	-46.73	318.32	-4.12	-50.85
O=C(CC1(O)CC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062677	0	37	-1.0	-51.69	326.58	-6.80	-58.49
N#C[C@H]1C[C@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062678	0	34	-1.0	-57.78	312.47	-3.78	-61.56
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=COCC1	REAL250005062679	0	35	-1.0	-48.60	311.68	-5.00	-53.60
O=C(NCC(O)CNC(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005062680	0	34	-1.0	-47.84	303.82	-7.14	-54.98
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005062681	0	34	-1.0	-48.83	305.99	-3.49	-52.32
CC(CF)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062682	0	35	-1.0	-47.04	310.33	-4.04	-51.08
CC=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062683	0	33	-1.0	-48.25	298.56	-4.23	-52.48
O=C(C=CCF)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062684	0	33	-1.0	-50.07	304.74	-4.11	-54.18
O=C(NCC(O)CNC(=O)C1(CO)CC1)C1=CC(=O)[N-]O1	REAL250005062685	0	37	-1.0	-51.40	327.92	-6.90	-58.30
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=NO1	REAL250005062686	0	32	-1.0	-48.09	299.09	-5.11	-53.20
C[C@H](O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062688	0	33	-1.0	-48.98	295.78	-6.98	-55.96
CON=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062689	0	33	-1.0	-50.92	307.45	-6.26	-57.18
C#CC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062690	0	35	-1.0	-47.61	321.20	-3.00	-50.61
C=CC=CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062691	0	37	-1.0	-48.78	333.15	-2.86	-51.64
C#C[C@H]1C[C@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062692	0	35	-1.0	-50.68	318.38	-2.90	-53.58
CC=C(CC)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062693	0	39	-1.0	-47.99	334.33	-2.85	-50.84
COC(F)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062694	0	33	-1.0	-51.20	303.60	-6.00	-57.20
N#C[C@@H]1C[C@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062695	0	34	-1.0	-50.35	316.50	-3.65	-54.00
O=C(NCC(O)CNC(=O)[C@H]1C[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005062696	0	37	-1.0	-51.45	323.13	-6.99	-58.44
C=CCC(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062697	0	39	-1.0	-47.54	337.16	-2.93	-50.47
C[C@@H]1C[C@H]1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062698	0	36	-1.0	-47.94	316.89	-3.41	-51.35
CC(C)(O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062699	0	36	-1.0	-47.03	315.46	-7.41	-54.44
O=C(NCC(O)CNC(=O)C1=NOCC1)C1=CC(=O)[N-]O1	REAL250005062700	0	34	-1.0	-48.05	309.03	-5.99	-54.04
CC(C#N)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062701	0	36	-1.0	-49.38	322.53	-3.80	-53.18
O=C(NCC(O)CNC(=O)[C@H](O)CF)C1=CC(=O)[N-]O1	REAL250005062702	0	33	-1.0	-50.07	302.09	-6.81	-56.88
O=C(NCC(O)CNC(=O)C1(O)CCC1)C1=CC(=O)[N-]O1	REAL250005062703	0	37	-1.0	-48.06	319.82	-6.60	-54.66
O=C(NCC(O)CNC(=O)C(O)C1CC1)C1=CC(=O)[N-]O1	REAL250005062704	0	37	-1.0	-48.19	327.77	-5.41	-53.60
C=C(C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062705	0	36	-1.0	-48.09	319.24	-3.64	-51.73
CC(C)(C#N)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062706	0	36	-1.0	-53.86	322.81	-4.04	-57.90
CC(C)=C(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062707	0	39	-1.0	-47.45	329.47	-2.84	-50.29
C=CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062708	0	33	-1.0	-48.30	297.89	-4.29	-52.59
C[NH+](C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062709	0	38	0.0	-71.12	320.57	-4.11	-75.23
CN(C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062709	1	37	-1.0	-48.51	318.49	-6.50	-55.01
N#CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062710	0	30	-1.0	-56.66	284.45	-5.16	-61.82
O=C(NCC(O)CNC(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005062711	0	33	-1.0	-51.43	301.71	-3.99	-55.42
O=C(CCF)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062712	0	32	-1.0	-47.60	291.58	-4.69	-52.29
O=C(NCC(O)CNC(=O)C1C=CCC1)C1=CC(=O)[N-]O1	REAL250005062713	0	37	-1.0	-47.64	320.55	-3.05	-50.69
C#CC(C)(C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062714	0	37	-1.0	-50.19	329.23	-3.16	-53.35
CO[C@H](C)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062715	0	36	-1.0	-50.94	317.50	-4.78	-55.72
CC(=O)CCC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062716	0	37	-1.0	-49.08	329.57	-4.16	-53.24
C[C@@H](O)C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062717	0	33	-1.0	-49.03	295.79	-6.98	-56.01
O=C(CN1CCC1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062718	0	38	-1.0	-49.38	326.35	-6.93	-56.31
C=C1CC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062719	0	34	-1.0	-48.15	309.07	-3.49	-51.64
CC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005062720	0	37	-1.0	-48.28	320.68	-5.75	-54.03
O=C(NCC(O)CNC(=O)C1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005062721	0	34	-1.0	-55.00	309.85	-8.39	-63.39
O=C(NCC(O)CNC(=O)[C@@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005062722	0	34	-1.0	-55.76	309.43	-8.48	-64.24
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CN=CN1	REAL250005062723	0	33	-1.0	-52.00	302.31	-4.99	-56.99
O=C(NCC(O)CNC(=O)C1CC(=O)C1)C1=CC(=O)[N-]O1	REAL250005062724	0	35	-1.0	-50.27	314.45	-4.47	-54.74
CC(C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005062725	0	37	-1.0	-48.83	327.76	-2.60	-51.43
CC1=CC1C(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062726	0	34	-1.0	-48.79	310.55	-3.38	-52.17
O=C(NCC(O)CNC(=O)[C@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005062727	0	34	-1.0	-55.24	309.93	-8.15	-63.39
COC1(C(=O)NCC(O)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062728	0	37	-1.0	-49.93	323.50	-4.30	-54.23
C=CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062729	0	30	-1.0	-48.44	276.83	-5.12	-53.56
O=C(NCC(O)CNC(=O)C1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005062730	0	34	-1.0	-55.00	309.85	-8.39	-63.39
O=C(NCC(O)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=NO1	REAL250005062731	0	32	-1.0	-48.09	299.09	-5.11	-53.20
CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062732	0	34	-1.0	-47.97	294.15	-0.59	-48.56
COCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062733	0	38	-1.0	-48.05	327.83	-1.52	-49.57
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005062734	0	35	-1.0	-47.98	304.67	0.18	-47.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005062735	0	38	-1.0	-47.73	320.89	0.69	-47.04
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1	REAL250005062736	0	41	-1.0	-47.69	337.21	1.27	-46.42
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005062737	0	38	-1.0	-48.06	325.09	0.95	-47.11
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)F	REAL250005062738	0	37	-1.0	-47.57	320.97	0.06	-47.51
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(F)F	REAL250005062739	0	34	-1.0	-45.76	306.01	-0.40	-46.16
COCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062740	0	35	-1.0	-51.13	306.88	-1.23	-52.36
CCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062741	0	37	-1.0	-47.82	315.65	0.17	-47.65
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CO1	REAL250005062742	0	35	-1.0	-49.07	313.77	-0.27	-49.34
CC(=O)NCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062743	0	38	-1.0	-50.55	332.53	-2.90	-53.45
CC(C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062744	0	40	-1.0	-47.29	332.38	0.77	-46.52
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005062745	0	38	-1.0	-47.90	326.05	0.85	-47.05
CCOCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062746	0	38	-1.0	-51.12	328.73	-0.27	-51.39
CC(C)=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062747	0	38	-1.0	-47.35	323.47	0.72	-46.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCO1	REAL250005062748	0	39	-1.0	-51.07	330.17	-0.03	-51.10
CSCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062749	0	35	-1.0	-50.15	317.22	-0.17	-50.32
CC(C)CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062750	0	43	-1.0	-47.72	354.72	1.46	-46.26
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1	REAL250005062751	0	36	-1.0	-50.72	316.66	-0.50	-51.22
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=C1	REAL250005062752	0	35	-1.0	-51.64	312.93	-0.32	-51.96
CCCCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062753	0	43	-1.0	-47.78	358.65	1.73	-46.05
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C	REAL250005062754	0	43	-1.0	-46.40	347.35	1.29	-45.11
CCCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062755	0	40	-1.0	-47.83	337.15	0.95	-46.88
CC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062756	0	37	-1.0	-47.67	313.70	0.07	-47.60
CCC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062757	0	40	-1.0	-47.62	331.83	0.72	-46.90
CCC(CC)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062758	0	43	-1.0	-47.17	352.82	1.25	-45.92
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1	REAL250005062759	0	35	-1.0	-49.40	311.36	-1.81	-51.21
CCOC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062760	0	41	-1.0	-50.98	348.52	0.42	-50.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1	REAL250005062761	0	35	-1.0	-50.51	311.65	-1.87	-52.38
COCCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062762	0	41	-1.0	-50.26	349.33	-0.76	-51.02
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC=C1	REAL250005062763	0	34	-1.0	-50.08	308.25	-1.03	-51.11
CCC=C(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062764	0	41	-1.0	-48.11	342.85	1.49	-46.62
COC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062765	0	38	-1.0	-50.75	326.67	-0.52	-51.27
CC(C)OCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062766	0	41	-1.0	-50.95	349.00	0.46	-50.49
CCCOCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062767	0	41	-1.0	-50.95	350.23	0.53	-50.42
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1	REAL250005062768	0	39	-1.0	-48.82	328.18	-1.27	-50.09
CCC(OC)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062769	0	41	-1.0	-49.39	347.87	0.30	-49.09
COC(C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062770	0	41	-1.0	-49.61	346.97	-0.01	-49.62
C=CCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062771	0	38	-1.0	-47.66	328.46	0.73	-46.93
CCOCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062772	0	41	-1.0	-47.94	349.68	-0.56	-48.50
COCC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062773	0	41	-1.0	-47.75	346.54	-0.81	-48.56
C=CCOCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062774	0	39	-1.0	-51.30	341.63	0.31	-50.99
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=N1	REAL250005062775	0	34	-1.0	-49.80	308.56	-3.69	-53.49
CCCC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062776	0	43	-1.0	-47.61	353.33	1.47	-46.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CC1	REAL250005062777	0	41	-1.0	-47.95	347.27	1.74	-46.21
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CC1	REAL250005062778	0	39	-1.0	-47.65	329.69	1.18	-46.47
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCC1	REAL250005062779	0	41	-1.0	-47.83	342.06	1.46	-46.37
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C1CC1	REAL250005062780	0	41	-1.0	-47.87	343.01	1.51	-46.36
CC=C(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062781	0	38	-1.0	-48.29	322.47	0.70	-47.59
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)C1	REAL250005062782	0	41	-1.0	-47.54	340.62	1.29	-46.25
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCC1	REAL250005062783	0	39	-1.0	-48.23	333.31	1.40	-46.83
CC(C)=C(F)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062784	0	38	-1.0	-46.07	328.58	0.79	-45.28
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCC1	REAL250005062785	0	39	-1.0	-48.13	330.74	1.27	-46.86
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(C)C	REAL250005062786	0	41	-1.0	-47.09	341.27	1.40	-45.69
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(C)C	REAL250005062787	0	41	-1.0	-47.08	341.27	1.40	-45.68
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCO1	REAL250005062788	0	39	-1.0	-51.99	330.57	-0.03	-52.02
CCC(C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062789	0	43	-1.0	-47.25	350.61	1.43	-45.82
C#CCCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062790	0	39	-1.0	-50.37	342.93	1.47	-48.90
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)O	REAL250005062791	0	41	-1.0	-49.14	341.46	-1.34	-50.48
CC(C)[C@@H](O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062792	0	41	-1.0	-48.31	340.10	-2.11	-50.42
CCC(C)=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062793	0	41	-1.0	-46.96	345.31	1.47	-45.49
CC(C)C#CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062794	0	39	-1.0	-49.22	343.55	1.44	-47.78
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1CC1	REAL250005062795	0	37	-1.0	-49.52	333.22	1.61	-47.91
C=C(C)CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062796	0	41	-1.0	-47.46	350.08	1.40	-46.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005062797	0	38	-1.0	-47.77	322.43	0.77	-47.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCO1	REAL250005062798	0	39	-1.0	-51.77	330.15	-0.03	-51.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNN=C1	REAL250005062799	0	34	-1.0	-48.06	307.07	-3.25	-51.31
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1	REAL250005062799	1	34	-1.0	-50.03	306.16	-3.20	-53.23
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C)CC1	REAL250005062800	0	41	-1.0	-47.43	345.09	1.44	-45.99
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CO1	REAL250005062801	0	34	-1.0	-49.68	308.56	-3.57	-53.25
C=CC(C)(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062802	0	41	-1.0	-47.72	341.35	1.03	-46.69
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005062803	0	38	-1.0	-47.86	326.04	0.85	-47.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCC1	REAL250005062804	0	41	-1.0	-47.74	338.08	1.20	-46.54
CCC(F)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062805	0	37	-1.0	-48.02	321.93	0.22	-47.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCF	REAL250005062806	0	37	-1.0	-50.16	322.24	0.31	-49.85
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005062807	0	38	-1.0	-47.86	326.06	0.85	-47.01
C=CCCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062808	0	41	-1.0	-48.10	349.96	1.51	-46.59
CCC(C)(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062809	0	43	-1.0	-47.70	346.81	1.13	-46.57
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005062810	0	32	-1.0	-48.05	289.50	-5.26	-53.31
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1C	REAL250005062811	0	41	-1.0	-48.02	346.47	1.62	-46.40
CCC1(C(=O)NC(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062812	0	41	-1.0	-47.99	346.99	1.36	-46.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CC1	REAL250005062813	0	38	-1.0	-47.94	327.15	0.87	-47.07
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005062814	0	40	-1.0	-47.58	332.59	0.63	-46.95
CC(C)C(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062815	0	43	-1.0	-46.96	347.73	1.28	-45.68
CC[C@@H]1C[C@H]1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062816	0	41	-1.0	-47.87	347.46	1.61	-46.26
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CC2	REAL250005062817	0	39	-1.0	-48.27	337.12	1.64	-46.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC(=O)N1	REAL250005062818	0	36	-1.0	-55.61	318.62	-4.24	-59.85
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC(=O)N1	REAL250005062819	0	36	-1.0	-55.64	318.62	-4.25	-59.89
COC1(C(=O)NC(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062820	0	39	-1.0	-47.29	335.19	-0.77	-48.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CSC1	REAL250005062821	0	36	-1.0	-47.97	320.75	0.34	-47.63
C=CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062822	0	35	-1.0	-48.07	307.07	-0.05	-48.12
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005062823	0	40	0.0	-67.52	329.74	0.13	-67.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005062823	1	39	-1.0	-48.24	327.66	-2.25	-50.49
C=CC(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062824	0	36	-1.0	-48.90	315.51	-2.01	-50.91
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005062825	0	36	-1.0	-48.61	311.51	-2.09	-50.70
CO[C@H](C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062826	0	38	-1.0	-50.79	326.66	-0.53	-51.32
CC=CC(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062827	0	39	-1.0	-48.77	337.22	-1.15	-49.92
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005062828	0	43	0.0	-66.47	347.85	0.54	-65.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005062828	1	42	-1.0	-48.39	341.81	-1.89	-50.28
CCC=C(F)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062829	0	38	-1.0	-46.23	333.00	0.83	-45.40
CCC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062830	0	38	-1.0	-47.98	328.82	0.78	-47.20
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CO	REAL250005062832	0	41	-1.0	-47.94	341.94	-2.57	-50.51
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCC1	REAL250005062833	0	38	-1.0	-45.76	327.26	0.74	-45.02
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005062834	0	32	-1.0	-52.62	284.62	-3.51	-56.13
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(N)=O	REAL250005062835	0	36	-1.0	-51.35	324.12	-3.96	-55.31
CC(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062836	0	35	-1.0	-48.41	304.95	-2.73	-51.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCC1	REAL250005062837	0	39	-1.0	-48.79	328.99	-2.36	-51.15
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CC1	REAL250005062838	0	39	-1.0	-47.69	333.23	-0.94	-48.63
C=CCC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062839	0	41	-1.0	-47.34	346.33	1.31	-46.03
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005062840	0	35	-1.0	-52.08	310.87	0.24	-51.84
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005062841	0	43	0.0	-66.47	347.85	0.54	-65.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005062841	1	42	-1.0	-48.39	341.81	-1.89	-50.28
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005062842	0	34	-1.0	-47.40	300.75	-0.45	-47.85
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)COC1	REAL250005062843	0	37	-1.0	-49.82	319.75	-4.60	-54.42
CC(C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005062844	0	39	-1.0	-48.86	336.93	1.65	-47.21
CCC1CC1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062845	0	41	-1.0	-47.83	347.46	1.61	-46.22
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC1	REAL250005062846	0	39	-1.0	-51.19	336.10	-2.57	-53.76
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005062847	0	35	-1.0	-49.70	313.91	0.14	-49.56
C#CCCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062848	0	36	-1.0	-48.17	321.43	0.69	-47.48
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1	REAL250005062849	0	40	-1.0	-49.61	335.52	-2.67	-52.28
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005062849	1	41	0.0	-67.39	339.84	0.55	-66.84
C#C[C@H]1C[C@H]1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062850	0	37	-1.0	-50.39	327.54	1.35	-49.04
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCC21	REAL250005062851	0	39	-1.0	-47.76	327.37	1.52	-46.24
C=C1CCC1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062852	0	39	-1.0	-47.74	333.79	1.16	-46.58
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005062853	0	41	-1.0	-47.89	342.54	1.39	-46.50
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005062854	0	43	0.0	-66.42	347.88	0.55	-65.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)N(C)C	REAL250005062854	1	42	-1.0	-48.13	339.35	-1.91	-50.04
CC=CC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062855	0	39	-1.0	-48.23	342.89	1.45	-46.78
COCC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062856	0	39	-1.0	-49.77	341.08	-0.94	-50.71
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)COC1	REAL250005062857	0	39	-1.0	-48.21	329.85	-1.48	-49.69
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005062858	0	36	-1.0	-52.02	312.63	-0.97	-52.99
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCN=[N+]=[N-]	REAL250005062859	0	36	-1.0	-47.12	324.30	-3.98	-51.10
C#CCOCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062860	0	37	-1.0	-53.74	334.52	0.27	-53.47
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005062861	0	38	-1.0	-46.44	324.63	-3.17	-49.61
CC1=CC1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062862	0	36	-1.0	-48.99	319.72	0.88	-48.11
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)N(C)C	REAL250005062863	0	38	-1.0	-47.61	326.35	-1.95	-49.56
CSC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062864	0	36	-1.0	-47.97	329.77	0.34	-47.63
CCC(C)(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062865	0	41	-1.0	-46.36	341.25	-2.51	-48.87
CC[N@H+](C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062866	0	43	0.0	-66.71	347.47	0.80	-65.91
CC[N@@H+](C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062866	1	43	0.0	-66.66	347.47	0.80	-65.86
CCN(C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062866	1	42	-1.0	-48.09	345.63	-1.46	-49.55
C=C1CC(C(=O)NC(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005062867	0	39	-1.0	-47.58	334.40	1.20	-46.38
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1F	REAL250005062868	0	38	-1.0	-51.35	324.82	0.77	-50.58
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1	REAL250005062869	0	35	-1.0	-51.98	311.48	-0.75	-52.73
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCO1	REAL250005062870	0	37	-1.0	-47.77	322.25	-0.71	-48.48
CCC[C@H](O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062871	0	41	-1.0	-47.97	346.94	-1.12	-49.09
CC(C)[C@H](O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062872	0	41	-1.0	-47.71	341.25	-1.23	-48.94
CCOC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062873	0	39	-1.0	-48.28	340.79	-0.34	-48.62
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005062874	0	35	-1.0	-49.28	304.95	-2.73	-52.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005062875	0	36	-1.0	-51.09	318.83	-3.34	-54.43
COC(C)(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062876	0	41	-1.0	-51.18	338.61	-0.05	-51.23
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCO	REAL250005062877	0	41	-1.0	-49.35	348.57	-2.39	-51.74
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CC1	REAL250005062878	0	39	-1.0	-50.96	337.13	-2.67	-53.63
COC(F)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062879	0	35	-1.0	-51.19	312.77	-1.75	-52.94
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC1CC2	REAL250005062880	0	39	-1.0	-48.19	333.13	1.38	-46.81
C=C[C@H](C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062881	0	41	-1.0	-47.10	345.16	1.30	-45.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CC1	REAL250005062882	0	39	-1.0	-47.99	339.70	1.60	-46.39
CC=C(CC)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062883	0	41	-1.0	-48.07	343.50	1.41	-46.66
C=CC(C)(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062884	0	39	-1.0	-46.56	334.82	-2.44	-49.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005062885	0	36	-1.0	-48.83	315.16	0.75	-48.08
CON=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062886	0	35	-1.0	-51.13	316.62	-2.01	-53.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005062887	0	35	-1.0	-47.10	310.86	0.23	-46.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOCC1	REAL250005062888	0	36	-1.0	-47.97	318.20	-1.73	-49.70
C#CC(C)(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062889	0	39	-1.0	-50.33	338.41	1.07	-49.26
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC1	REAL250005062890	0	39	-1.0	-51.86	339.10	0.52	-51.34
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1	REAL250005062891	0	35	-1.0	-50.18	312.60	-1.56	-51.74
CCCC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062892	0	41	-1.0	-47.82	350.31	1.56	-46.26
CC=C(F)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062893	0	35	-1.0	-46.43	312.70	0.09	-46.34
CCC(CO)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062894	0	41	-1.0	-46.96	340.19	-2.18	-49.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CO	REAL250005062895	0	38	-1.0	-48.23	324.28	-3.22	-51.45
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CON=C1	REAL250005062896	0	34	-1.0	-49.27	307.88	-0.87	-50.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CF	REAL250005062897	0	38	-1.0	-49.92	332.64	0.98	-48.94
C#CC1(C(=O)NC(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062898	0	37	-1.0	-47.33	330.36	1.23	-46.10
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCC1	REAL250005062899	0	37	-1.0	-48.47	320.85	-0.75	-49.22
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005062900	0	35	-1.0	-52.14	305.29	-2.75	-54.89
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=CCC1	REAL250005062901	0	39	-1.0	-47.62	329.72	1.21	-46.41
CC(O)C(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062902	0	41	-1.0	-50.56	341.20	-1.51	-52.07
C=C1CC1C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062903	0	36	-1.0	-48.21	318.24	0.75	-47.46
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CF	REAL250005062904	0	37	-1.0	-46.96	319.50	0.19	-46.77
C=C(C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062905	0	38	-1.0	-48.01	328.68	0.60	-47.41
CC(C)=C(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062906	0	41	-1.0	-47.34	338.46	1.42	-45.92
CCCC(O)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062907	0	41	-1.0	-47.96	346.94	-1.12	-49.08
CCC(O)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062908	0	41	-1.0	-50.65	346.33	-1.46	-52.11
CC=CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062909	0	35	-1.0	-48.28	307.73	0.02	-48.26
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1F	REAL250005062910	0	38	-1.0	-51.42	327.11	0.89	-50.53
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005062911	0	39	-1.0	-51.03	332.30	-2.73	-53.76
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005062912	0	38	-1.0	-47.86	326.04	0.85	-47.01
CNC(=O)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062913	0	38	-1.0	-58.65	330.24	-1.56	-60.21
C=CC=CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062914	0	39	-1.0	-48.46	342.32	1.37	-47.09
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(N)=O	REAL250005062915	0	38	-1.0	-50.75	331.83	-3.76	-54.51
CC(O)CCC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062916	0	41	-1.0	-48.77	347.50	-2.33	-51.10
C#CCC(C)C(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062917	0	39	-1.0	-47.86	339.31	1.25	-46.61
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CCO	REAL250005062918	0	41	-1.0	-51.07	343.25	-2.65	-53.72
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)CF	REAL250005062919	0	35	-1.0	-50.40	311.26	-2.56	-52.96
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005062920	0	36	-1.0	-48.43	312.99	-2.90	-51.33
CC(CCNC(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062921	0	38	-1.0	-53.53	325.09	0.96	-52.57
CC(CCNC(=O)C(C)(C)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005062922	0	37	-1.0	-50.66	319.82	0.14	-50.52
CC(CCNC(=O)C(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005062923	0	34	-1.0	-48.40	306.00	-0.38	-48.78
COCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062924	0	35	-1.0	-56.73	306.87	-1.21	-57.94
CCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062925	0	37	-1.0	-53.02	315.65	0.19	-52.83
CC(CCNC(=O)C1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062926	0	35	-1.0	-53.05	313.77	-0.27	-53.32
CC(=O)NCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062927	0	38	-1.0	-53.31	332.83	-2.90	-56.21
CC(C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062928	0	40	-1.0	-52.64	332.38	0.78	-51.86
CC(CCNC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062929	0	38	-1.0	-53.05	326.05	0.86	-52.19
CCOCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062930	0	38	-1.0	-56.76	328.73	-0.25	-57.01
CC(C)=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062931	0	38	-1.0	-52.19	323.62	0.74	-51.45
CC(CCNC(=O)C1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062932	0	39	-1.0	-57.59	330.17	-0.01	-57.60
CSCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062933	0	35	-1.0	-55.87	317.21	-0.15	-56.02
CC(C)CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062934	0	43	-1.0	-53.03	354.72	1.48	-51.55
CC(CCNC(=O)C1=CC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062935	0	36	-1.0	-56.37	316.66	-0.49	-56.86
CC(CCNC(=O)C1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062936	0	35	-1.0	-57.30	312.94	-0.31	-57.61
CCCCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062937	0	43	-1.0	-53.07	358.65	1.75	-51.32
CC(CCNC(=O)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062938	0	43	-1.0	-51.72	347.35	1.30	-50.42
CCCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062939	0	40	-1.0	-53.15	337.15	0.97	-52.18
CC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062940	0	37	-1.0	-52.81	313.70	0.10	-52.71
CCC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062941	0	40	-1.0	-52.93	331.82	0.74	-52.19
CCC(CC)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062942	0	43	-1.0	-53.05	347.68	1.23	-51.82
CC(CCNC(=O)C1=CC=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062943	0	35	-1.0	-53.30	311.36	-1.80	-55.10
CCOC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062944	0	41	-1.0	-56.91	348.51	0.45	-56.46
CC(CCNC(=O)C1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062945	0	35	-1.0	-54.47	311.65	-1.85	-56.32
COCCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062946	0	41	-1.0	-56.09	349.32	-0.74	-56.83
CC(CCNC(=O)C1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062947	0	34	-1.0	-52.78	308.25	-1.03	-53.81
CCC=C(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062948	0	41	-1.0	-53.38	342.85	1.47	-51.91
COC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062949	0	38	-1.0	-56.73	325.86	-0.45	-57.18
CC(C)OCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062950	0	41	-1.0	-56.72	349.00	0.48	-56.24
CCCOCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062951	0	41	-1.0	-56.60	350.23	0.55	-56.05
CC(CCNC(=O)C1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062952	0	39	-1.0	-55.05	328.18	-1.27	-56.32
CCC(OC)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062953	0	41	-1.0	-54.98	347.87	0.32	-54.66
COC(C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062954	0	41	-1.0	-54.63	346.96	0.02	-54.61
C=CCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062955	0	38	-1.0	-52.80	328.46	0.75	-52.05
CCOCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062956	0	41	-1.0	-52.29	349.68	-0.54	-52.83
COCC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062957	0	41	-1.0	-52.14	346.53	-0.79	-52.93
C=CCOCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062958	0	39	-1.0	-57.13	341.63	0.32	-56.81
CC(CCNC(=O)C1=COC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062959	0	34	-1.0	-52.80	308.55	-3.67	-56.47
CC(C#N)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062960	0	35	-1.0	-60.87	313.13	-0.28	-61.15
CCCC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062961	0	43	-1.0	-52.99	353.32	1.50	-51.49
CC(CCNC(=O)CCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062962	0	41	-1.0	-53.17	347.27	1.74	-51.43
CC(CCNC(=O)C1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062963	0	39	-1.0	-52.83	329.69	1.18	-51.65
CC(CCNC(=O)CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062964	0	41	-1.0	-53.39	342.06	1.47	-51.92
CC(CCNC(=O)C(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062965	0	41	-1.0	-53.44	343.01	1.53	-51.91
CC=C(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062966	0	38	-1.0	-53.51	322.46	0.70	-52.81
CC(CCNC(=O)C1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062967	0	41	-1.0	-53.21	341.31	1.31	-51.90
CC(CCNC(=O)C=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062968	0	39	-1.0	-53.42	333.31	1.41	-52.01
CC(C)=C(F)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062969	0	38	-1.0	-48.72	327.99	0.79	-47.93
CC(CCNC(=O)C1=CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062970	0	39	-1.0	-53.15	330.74	1.28	-51.87
CC(CCNC(=O)C1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062971	0	41	-1.0	-52.25	341.27	1.41	-50.84
CC(CCNC(=O)[C@H]1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062972	0	41	-1.0	-52.26	341.27	1.41	-50.85
CC(CCNC(=O)[C@@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062973	0	39	-1.0	-57.55	330.17	-0.02	-57.57
CCC(C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062974	0	43	-1.0	-52.65	350.61	1.44	-51.21
C#CCCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062975	0	39	-1.0	-56.07	342.93	1.49	-54.58
CC(CCNC(=O)CC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005062976	0	41	-1.0	-56.26	341.14	-1.48	-57.74
CC(C)[C@@H](O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062977	0	41	-1.0	-52.66	340.17	-0.85	-53.51
CCC(C)=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062978	0	41	-1.0	-51.81	345.31	1.48	-50.33
CC(C)C#CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062979	0	39	-1.0	-53.29	343.54	1.45	-51.84
CC(CCNC(=O)C#CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062980	0	37	-1.0	-53.38	333.22	1.61	-51.77
CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062981	0	34	-1.0	-53.19	294.15	-0.57	-53.76
COCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062982	0	38	-1.0	-52.37	327.82	-1.50	-53.87
CC(CCNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062983	0	35	-1.0	-53.07	304.67	0.20	-52.87
CC(CCNC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062984	0	38	-1.0	-53.08	320.88	0.70	-52.38
CC(CCNC(=O)C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062985	0	41	-1.0	-53.11	337.19	1.31	-51.80
C=CCCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062986	0	41	-1.0	-53.52	349.96	1.53	-51.99
CCC(C)(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062987	0	43	-1.0	-53.22	346.81	1.16	-52.06
CC(CCNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005062988	0	32	-1.0	-49.47	289.50	-5.25	-54.72
CC(CCNC(=O)CC1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062989	0	41	-1.0	-53.57	346.47	1.64	-51.93
CCC1(C(=O)NCCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005062990	0	41	-1.0	-53.19	347.11	1.37	-51.82
CC(CCNC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062991	0	40	-1.0	-53.00	332.59	0.66	-52.34
C=C(C)CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062992	0	41	-1.0	-52.50	350.07	1.42	-51.08
CC(CCNC(=O)C1(CF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062993	0	38	-1.0	-56.73	332.27	0.84	-55.89
CC(C)C(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062994	0	43	-1.0	-52.32	347.72	1.30	-51.02
CC[C@@H]1C[C@H]1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005062995	0	41	-1.0	-53.08	347.46	1.62	-51.46
CC(CCNC(=O)C1CC12CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005062996	0	39	-1.0	-53.38	337.12	1.65	-51.73
CC(CCNC(=O)[C@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062997	0	39	-1.0	-57.60	330.17	-0.02	-57.62
CC(CCNC(=O)CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062998	0	41	-1.0	-52.83	345.09	1.44	-51.39
CC(CCNC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005062999	0	38	-1.0	-52.99	322.42	0.80	-52.19
CC(CCNC(=O)C1=CNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063000	0	36	-1.0	-59.99	316.79	-0.42	-60.41
CC(CCNC(=O)C1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063001	0	34	-1.0	-53.62	308.56	-3.56	-57.18
C=CC(C)(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063002	0	41	-1.0	-53.17	341.34	1.06	-52.11
CC(CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063003	0	38	-1.0	-53.03	326.05	0.86	-52.17
CC(CCNC(=O)C1(C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063004	0	41	-1.0	-53.24	338.08	1.23	-52.01
CCC(F)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063005	0	37	-1.0	-53.25	321.92	0.23	-53.02
CC(CCNC(=O)CCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005063006	0	37	-1.0	-56.05	322.24	0.33	-55.72
CC(CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063007	0	38	-1.0	-53.01	326.06	0.87	-52.14
CC(CCNC(=O)C1=NNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063008	0	34	-1.0	-51.16	307.07	-3.25	-54.41
CC(CCNC(=O)C1=CN=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063008	1	34	-1.0	-53.89	306.16	-3.19	-57.08
CC(CCNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005063009	0	32	-1.0	-58.38	284.62	-3.49	-61.87
CC(CCNC(=O)C=CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005063010	0	36	-1.0	-54.06	324.11	-3.93	-57.99
COC(=O)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063011	0	37	-1.0	-61.87	326.10	0.40	-61.47
CSC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063012	0	36	-1.0	-52.15	329.77	0.33	-51.82
CC(CCNC(=O)CCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005063013	0	38	-1.0	-53.63	331.83	-3.75	-57.38
CC(CCNC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063014	0	36	-1.0	-58.00	313.04	-1.05	-59.05
CC(CCNC(=O)C1=CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063015	0	37	-1.0	-51.28	322.25	-0.70	-51.98
CC(CCNC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063016	0	36	-1.0	-53.34	311.51	-2.08	-55.42
CC(CCNC(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005063017	0	36	-1.0	-56.83	318.83	-3.33	-60.16
CC=CC(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063018	0	39	-1.0	-53.07	339.86	-1.31	-54.38
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063019	0	43	0.0	-70.17	347.64	0.54	-69.63
CC(CCNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063019	1	42	-1.0	-53.49	341.81	-1.87	-55.36
CCC=C(F)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063020	0	38	-1.0	-49.13	333.00	0.84	-48.29
CCC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063021	0	38	-1.0	-53.05	328.81	0.79	-52.26
CC(CCNC(=O)CCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005063022	0	36	-1.0	-51.55	324.28	-3.96	-55.51
C#CCOCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063023	0	37	-1.0	-59.68	334.51	0.28	-59.40
CC(O)CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063024	0	41	-1.0	-52.67	347.46	-2.31	-54.98
C#CCCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063025	0	36	-1.0	-52.83	321.43	0.71	-52.12
CC=CC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063026	0	39	-1.0	-53.20	342.89	1.47	-51.73
COCC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063027	0	39	-1.0	-55.34	341.08	-0.93	-56.27
CCC(C)(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063028	0	41	-1.0	-50.69	341.25	-2.48	-53.17
C#CCC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063029	0	39	-1.0	-52.58	339.30	1.28	-51.30
C=CC(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063030	0	36	-1.0	-53.27	318.16	-2.16	-55.43
CC(CCNC(=O)C12CC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005063031	0	39	-1.0	-53.34	333.09	1.38	-51.96
C=C[C@H](C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063032	0	41	-1.0	-52.49	345.16	1.30	-51.19
CC(CCNC(=O)C=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063033	0	39	-1.0	-53.06	339.71	1.60	-51.46
CCC(C#N)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063034	0	38	-1.0	-52.01	333.76	0.37	-51.64
CC(CCNC(=O)C1C2CCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005063035	0	39	-1.0	-53.21	327.37	1.52	-51.69
C=C1CCC1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063036	0	39	-1.0	-52.30	333.71	1.17	-51.13
CC(CCNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063037	0	41	-1.0	-51.72	334.85	1.35	-50.37
CC[N@H+](C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063038	0	43	0.0	-71.90	347.47	0.80	-71.10
CC[N@@H+](C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063038	1	43	0.0	-71.87	347.47	0.80	-71.07
CCN(C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063038	1	42	-1.0	-53.43	345.63	-1.46	-54.89
CC(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063039	0	35	-1.0	-54.09	304.95	-2.71	-56.80
CC(=O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063040	0	33	-1.0	-48.75	296.89	-1.43	-50.18
CC(CCNC(=O)CCCC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005063041	0	38	-1.0	-61.95	336.50	0.71	-61.24
CC(CCNC(=O)C1(C#N)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063042	0	36	-1.0	-49.97	323.93	0.44	-49.53
C=C1CC(C(=O)NCCC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005063043	0	39	-1.0	-52.57	334.40	1.20	-51.37
CC(CCNC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063044	0	35	-1.0	-49.46	310.87	0.25	-49.21
COC(C)(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063045	0	41	-1.0	-57.26	338.60	-0.02	-57.28
CC(CCNC(=O)C(C)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005063046	0	38	-1.0	-52.99	332.88	0.46	-52.53
CCC1CC1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063047	0	41	-1.0	-53.09	347.46	1.62	-51.47
C=CC(C)(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063048	0	39	-1.0	-51.32	334.82	-2.40	-53.72
CCCC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063049	0	41	-1.0	-52.84	350.31	1.57	-51.27
CC=C(F)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063050	0	35	-1.0	-49.41	312.69	0.10	-49.31
CC(CCNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063051	0	43	0.0	-71.18	347.88	0.56	-70.62
CC(CCNC(=O)[C@@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063051	1	42	-1.0	-53.49	341.50	-1.90	-55.39
CCOC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063052	0	39	-1.0	-51.93	340.79	-0.35	-52.28
CC(=O)OCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063053	0	37	-1.0	-55.51	330.21	0.37	-55.14
CC(=O)C=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063054	0	37	-1.0	-52.54	330.98	-0.09	-52.63
CC(CCNC(=O)COC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063055	0	39	-1.0	-57.86	339.10	0.52	-57.34
CC(CCNC(=O)C1=NC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063056	0	35	-1.0	-52.47	312.60	-1.54	-54.01
CC(CCNC(=O)C(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005063057	0	38	-1.0	-52.38	324.28	-3.19	-55.57
CC(CCNC(=O)C1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063058	0	34	-1.0	-53.00	307.88	-0.86	-53.86
CC(CCNC(=O)CCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005063059	0	41	-1.0	-54.04	348.57	-2.37	-56.41
CC(CCNC(=O)C(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063060	0	37	-1.0	-48.90	327.49	0.15	-48.75
CC(CCNC(=O)CC1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063061	0	39	-1.0	-57.41	335.74	-2.54	-59.95
CC(CCNC(=O)C1CCC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005063062	0	38	-1.0	-57.77	325.36	0.81	-56.96
CC(CCNC(=O)[C@@H]1C[C@H]1CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005063063	0	38	-1.0	-55.84	332.64	0.99	-54.85
CCC(CO)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063064	0	41	-1.0	-52.29	340.19	-2.15	-54.44
CC(CCNC(=O)[C@@H]1C[C@@H]1C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005063065	0	36	-1.0	-65.36	321.64	0.48	-64.88
CC(CCNC(=O)C1=COCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063066	0	37	-1.0	-53.47	320.85	-0.74	-54.21
CC(CCNC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063067	0	36	-1.0	-52.07	312.99	-2.88	-54.95
CC(CCNC(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063068	0	36	-1.0	-54.02	315.15	0.76	-53.26
CC(CCNC(=O)C(C)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005063069	0	37	-1.0	-51.36	319.50	0.22	-51.14
CC=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063070	0	35	-1.0	-53.25	307.73	0.03	-53.22
CC(CCNC(=O)C1(C)CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005063071	0	38	-1.0	-52.05	328.63	0.87	-51.18
CC(CCNC(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005063072	0	35	-1.0	-55.21	313.91	0.15	-55.06
CC(CCNC(=O)C1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063073	0	39	-1.0	-57.45	337.09	-2.65	-60.10
CC(CCNC(=O)C1=CC=NO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063074	0	34	-1.0	-50.49	308.26	-0.86	-51.35
CC(CCNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005063076	0	35	-1.0	-53.61	304.95	-2.71	-56.32
CON=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063077	0	35	-1.0	-55.79	316.62	-2.00	-57.79
CC(C)[C@H](O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063078	0	41	-1.0	-53.31	341.24	-1.20	-54.51
C#CC1(C(=O)NCCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063079	0	37	-1.0	-51.65	330.36	1.25	-50.40
C=CC=CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063080	0	39	-1.0	-53.77	342.31	1.39	-52.38
C#C[C@H]1C[C@H]1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063081	0	37	-1.0	-56.26	327.54	1.35	-54.91
CC=C(CC)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063082	0	41	-1.0	-53.09	343.50	1.42	-51.67
COC(F)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063083	0	35	-1.0	-56.67	312.77	-1.73	-58.40
CC(CCNC(=O)[C@@H]1C[C@H]1C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005063084	0	36	-1.0	-53.75	325.67	0.61	-53.14
CC(CCNC(=O)[C@H]1C[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063085	0	39	-1.0	-57.56	332.29	-2.71	-60.27
CC(CCNC(=O)C(C)(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005063086	0	41	-1.0	-52.40	341.93	-2.54	-54.94
C=CCC(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063087	0	41	-1.0	-52.61	346.32	1.34	-51.27
CC(CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063088	0	38	-1.0	-53.03	326.05	0.86	-52.17
CC(CCNC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005063089	0	38	-1.0	-50.61	324.63	-3.14	-53.75
CC(CCNC(=O)C1=NOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063090	0	36	-1.0	-49.77	318.20	-1.74	-51.51
CC(C#N)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063091	0	38	-1.0	-52.76	331.69	0.46	-52.30
CC(CCNC(=O)C(C)CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005063092	0	41	-1.0	-57.07	343.24	-2.61	-59.68
CC(CCNC(=O)[C@H](O)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005063093	0	35	-1.0	-53.96	311.26	-2.56	-56.52
CC(CCNC(=O)C1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063094	0	39	-1.0	-52.54	328.99	-2.34	-54.88
CC(CCNC(=O)C(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063095	0	39	-1.0	-52.91	336.94	-1.17	-54.08
C=C(C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063096	0	38	-1.0	-52.96	328.41	0.61	-52.35
CC(CCNC(=O)C(C)(C)C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005063097	0	38	-1.0	-60.47	331.98	0.23	-60.24
CC(C)=C(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063098	0	41	-1.0	-52.41	338.46	1.45	-50.96
CNC(=O)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063099	0	38	-1.0	-66.17	330.24	-1.53	-67.70
CC(CCNC(=O)C1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063100	0	38	-1.0	-53.48	327.09	0.76	-52.72
C=CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063101	0	35	-1.0	-53.24	307.06	-0.03	-53.27
CC(CCNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063102	0	40	0.0	-72.39	329.74	0.14	-72.25
CC(CCNC(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063102	1	39	-1.0	-53.55	327.65	-2.24	-55.79
CC(CCNC(=O)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005063103	0	32	-1.0	-62.75	293.61	-0.91	-63.66
CC(CCNC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005063104	0	35	-1.0	-56.88	310.88	0.25	-56.63
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063105	0	43	0.0	-70.17	347.64	0.54	-69.63
CC(CCNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063105	1	42	-1.0	-53.49	341.81	-1.87	-55.36
CC(CCNC(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005063106	0	34	-1.0	-51.81	300.74	-0.44	-52.25
CC(CCNC(=O)C1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063107	0	39	-1.0	-52.50	329.72	1.22	-51.28
C#CC(C)(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063108	0	39	-1.0	-55.94	338.41	1.10	-54.84
CO[C@H](C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063109	0	38	-1.0	-56.58	326.66	-0.51	-57.09
CC(=O)CCC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063110	0	39	-1.0	-52.30	338.85	0.10	-52.20
CC(CCNC(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005063111	0	35	-1.0	-58.13	305.30	-2.73	-60.86
CC(CCNC(=O)CN1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063112	0	40	-1.0	-54.72	335.52	-2.67	-57.39
CC(CCNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063112	1	41	0.0	-72.50	339.84	0.56	-71.94
CC(O)C(C)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063113	0	41	-1.0	-56.71	341.20	-1.49	-58.20
C=C1CC1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063114	0	36	-1.0	-52.93	318.24	0.76	-52.17
CC(CCNC(=O)C1(C)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063115	0	39	-1.0	-53.22	329.85	-1.48	-54.70
CC(CCNC(=O)C1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063116	0	36	-1.0	-60.26	319.02	-4.11	-64.37
CC(CCNC(=O)[C@@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063117	0	36	-1.0	-60.64	319.10	-3.89	-64.53
CCC[C@H](O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063118	0	41	-1.0	-53.02	346.94	-1.10	-54.12
CC(CCNC(=O)C1(F)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063119	0	38	-1.0	-49.72	327.25	0.74	-48.98
CC(CCNC(=O)C1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063120	0	35	-1.0	-57.50	311.48	-0.75	-58.25
CC(CCNC(=O)C1CC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063121	0	37	-1.0	-54.65	323.62	-0.23	-54.88
CC(CCNC(=O)C1(O)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063122	0	37	-1.0	-53.37	319.75	-4.59	-57.96
CC(C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005063123	0	39	-1.0	-54.03	336.93	1.65	-52.38
CC1=CC1C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063124	0	36	-1.0	-53.53	319.68	0.89	-52.64
CC(CCNC(=O)C(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063125	0	38	-1.0	-48.54	326.35	-1.95	-50.49
CCCC(O)C(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063126	0	41	-1.0	-53.02	346.94	-1.10	-54.12
CCC(O)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063127	0	41	-1.0	-56.97	346.32	-1.43	-58.40
CC(CCNC(=O)[C@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063128	0	36	-1.0	-61.22	318.62	-4.23	-65.45
COC1(C(=O)NCCC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063129	0	39	-1.0	-55.47	332.66	-0.03	-55.50
CC(CCNC(=O)C1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005063130	0	36	-1.0	-52.58	320.75	0.34	-52.24
C=CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063131	0	32	-1.0	-53.31	286.00	-0.85	-54.16
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N1	REAL250005063132	0	36	-1.0	-54.21	319.02	-4.14	-58.35
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(F)C1	REAL250005063133	0	38	-1.0	-46.87	327.50	0.78	-46.09
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NO1	REAL250005063134	0	34	-1.0	-48.22	308.25	-0.87	-49.09
CCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063135	0	34	-1.0	-49.39	286.92	0.56	-48.83
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCOC	REAL250005063136	0	38	-1.0	-48.81	320.61	-0.37	-49.18
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005063137	0	35	-1.0	-48.89	301.72	1.42	-47.47
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1	REAL250005063138	0	38	-1.0	-48.86	316.08	1.87	-46.99
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC1	REAL250005063139	0	41	-1.0	-49.69	329.41	2.32	-47.37
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005063140	0	38	-1.0	-49.14	321.90	2.23	-46.91
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)F	REAL250005063141	0	37	-1.0	-48.38	305.23	0.90	-47.48
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(F)F	REAL250005063142	0	34	-1.0	-44.87	293.93	0.50	-44.37
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC	REAL250005063143	0	35	-1.0	-52.69	299.66	-0.05	-52.74
CCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063144	0	37	-1.0	-49.33	308.42	1.33	-48.00
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CO1	REAL250005063145	0	35	-1.0	-49.73	307.01	1.11	-48.62
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CNC(C)=O	REAL250005063146	0	38	-1.0	-50.18	325.61	-1.81	-51.99
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)C	REAL250005063147	0	40	-1.0	-48.84	325.16	1.92	-46.92
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1C	REAL250005063148	0	38	-1.0	-49.47	319.86	2.02	-47.45
CCOCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063149	0	38	-1.0	-52.84	321.50	0.91	-51.93
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C(C)C	REAL250005063150	0	38	-1.0	-48.73	317.22	1.91	-46.82
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCO1	REAL250005063151	0	39	-1.0	-50.36	319.93	0.93	-49.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC	REAL250005063152	0	35	-1.0	-51.96	310.00	1.01	-50.95
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(C)C	REAL250005063153	0	43	-1.0	-49.35	347.50	2.63	-46.72
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN1	REAL250005063154	0	36	-1.0	-52.39	303.49	1.22	-51.17
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=C1	REAL250005063155	0	35	-1.0	-50.11	304.00	0.64	-49.47
CCCCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063156	0	43	-1.0	-49.30	351.42	2.89	-46.41
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)C	REAL250005063157	0	43	-1.0	-48.09	340.13	2.45	-45.64
CCCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063158	0	40	-1.0	-49.39	329.92	2.11	-47.28
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C	REAL250005063159	0	37	-1.0	-49.38	303.74	0.99	-48.39
CCC(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063160	0	40	-1.0	-46.75	323.42	1.65	-45.10
CCC(CC)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063161	0	43	-1.0	-46.59	338.31	2.12	-44.47
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC=C1	REAL250005063162	0	35	-1.0	-51.79	305.24	-0.14	-51.93
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1	REAL250005063162	1	35	-1.0	-49.69	301.61	-0.28	-49.97
CCOC(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063163	0	41	-1.0	-52.99	338.61	1.41	-51.58
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNN=C1	REAL250005063164	0	35	-1.0	-50.60	300.93	-1.09	-51.69
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCOC	REAL250005063165	0	41	-1.0	-52.06	342.11	0.40	-51.66
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOC=C1	REAL250005063166	0	34	-1.0	-49.84	301.12	0.69	-49.15
CCC=C(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063167	0	41	-1.0	-49.43	341.04	2.42	-47.01
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)OC	REAL250005063168	0	38	-1.0	-49.67	316.22	0.45	-49.22
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC(C)C	REAL250005063169	0	41	-1.0	-52.79	341.78	1.65	-51.14
CCCOCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063170	0	41	-1.0	-52.61	343.00	1.71	-50.90
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCOC1	REAL250005063171	0	39	-1.0	-48.98	324.86	-0.10	-49.08
CCC(OC)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063172	0	41	-1.0	-49.02	331.96	1.07	-47.95
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)OC	REAL250005063173	0	41	-1.0	-51.17	339.75	1.14	-50.03
C=CCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063174	0	38	-1.0	-49.36	321.23	1.89	-47.47
CCOCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063175	0	41	-1.0	-48.68	342.45	0.60	-48.08
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)COC	REAL250005063176	0	41	-1.0	-47.08	337.95	0.09	-46.99
C=CCOCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063177	0	39	-1.0	-53.18	334.40	1.48	-51.70
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=N1	REAL250005063178	0	34	-1.0	-49.68	301.22	-0.97	-50.65
CCCC(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063179	0	43	-1.0	-46.72	344.92	2.42	-44.30
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CC1	REAL250005063180	0	41	-1.0	-49.33	340.05	2.90	-46.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC=CC1	REAL250005063181	0	39	-1.0	-48.71	323.65	2.32	-46.39
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCC1	REAL250005063182	0	41	-1.0	-49.58	334.84	2.62	-46.96
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C1CC1	REAL250005063183	0	41	-1.0	-49.12	337.11	2.59	-46.53
CC=C(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063184	0	38	-1.0	-49.55	318.90	1.62	-47.93
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)C1	REAL250005063185	0	41	-1.0	-48.90	335.41	2.50	-46.40
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CCC1	REAL250005063186	0	39	-1.0	-49.09	331.14	2.74	-46.35
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)=C(C)C	REAL250005063187	0	38	-1.0	-50.57	327.20	1.71	-48.86
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCC1	REAL250005063188	0	39	-1.0	-49.51	318.59	2.11	-47.40
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1(C)C	REAL250005063189	0	41	-1.0	-48.76	335.09	2.58	-46.18
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC1(C)C	REAL250005063190	0	41	-1.0	-48.19	338.32	2.65	-45.54
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCCO1	REAL250005063191	0	39	-1.0	-52.99	320.03	0.92	-52.07
CCC(C)CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063192	0	43	-1.0	-48.91	343.38	2.59	-46.32
C#CCCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063193	0	39	-1.0	-52.13	335.70	2.63	-49.50
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)O	REAL250005063194	0	41	-1.0	-52.18	333.92	-0.37	-52.55
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](O)C(C)C	REAL250005063195	0	41	-1.0	-48.25	334.14	-0.14	-48.39
CCC(C)=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063196	0	41	-1.0	-48.40	339.07	2.68	-45.72
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC(C)C	REAL250005063197	0	39	-1.0	-50.31	339.01	2.67	-47.64
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC1CC1	REAL250005063198	0	37	-1.0	-50.42	328.68	2.84	-47.58
C=C(C)CCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063199	0	41	-1.0	-48.98	342.87	2.56	-46.42
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1	REAL250005063200	0	38	-1.0	-46.54	311.55	1.49	-45.05
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCO1	REAL250005063201	0	39	-1.0	-52.86	324.11	1.07	-51.79
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNN=C1	REAL250005063202	0	34	-1.0	-48.26	299.97	-1.56	-49.82
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(C)CC1	REAL250005063203	0	41	-1.0	-49.03	337.99	2.61	-46.42
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CO1	REAL250005063204	0	34	-1.0	-50.51	301.50	-2.17	-52.68
C=CC(C)(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063205	0	41	-1.0	-50.16	320.50	1.52	-48.64
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C	REAL250005063206	0	38	-1.0	-48.85	323.10	2.10	-46.75
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCC1	REAL250005063207	0	41	-1.0	-49.27	325.88	2.00	-47.27
CCC(F)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063208	0	37	-1.0	-46.20	314.81	1.30	-44.90
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCF	REAL250005063209	0	37	-1.0	-52.07	315.02	1.47	-50.60
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@@H]1C	REAL250005063210	0	38	-1.0	-48.84	323.06	2.10	-46.74
C=CCCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063211	0	41	-1.0	-49.70	342.73	2.67	-47.03
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CC	REAL250005063212	0	43	-1.0	-49.99	326.80	1.70	-48.29
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005063213	0	32	-1.0	-46.81	280.03	-3.99	-50.80
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1C	REAL250005063214	0	41	-1.0	-49.16	343.27	2.90	-46.26
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CC)CC1	REAL250005063215	0	41	-1.0	-49.45	336.19	2.32	-47.13
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CF)CC1	REAL250005063216	0	38	-1.0	-48.60	318.96	1.56	-47.04
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C	REAL250005063217	0	40	-1.0	-49.71	311.80	1.15	-48.56
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C(C)C	REAL250005063218	0	43	-1.0	-49.01	337.77	2.17	-46.84
CC[C@@H]1C[C@H]1C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063219	0	41	-1.0	-48.95	345.31	2.92	-46.03
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC12CC2	REAL250005063220	0	39	-1.0	-49.74	330.94	2.83	-46.91
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC(=O)N1	REAL250005063221	0	36	-1.0	-55.83	311.03	-2.85	-58.68
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC(=O)N1	REAL250005063222	0	36	-1.0	-55.85	311.40	-2.85	-58.70
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(OC)CC1	REAL250005063223	0	39	-1.0	-47.21	329.82	0.37	-46.84
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CSC1	REAL250005063224	0	36	-1.0	-48.80	311.29	1.38	-47.42
C=CCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063225	0	35	-1.0	-49.65	299.83	1.10	-48.55
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005063226	0	40	0.0	-70.79	322.52	1.24	-69.55
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN(C)C	REAL250005063226	1	39	-1.0	-49.80	320.44	-1.15	-50.95
C=CC(O)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063227	0	36	-1.0	-50.03	306.50	-1.21	-51.24
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC1	REAL250005063228	0	36	-1.0	-49.52	302.95	-1.00	-50.52
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)OC	REAL250005063229	0	38	-1.0	-52.18	319.84	0.56	-51.62
CC=CC(O)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063230	0	39	-1.0	-49.74	328.21	-0.39	-50.13
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)[NH+](C)C	REAL250005063231	0	43	0.0	-67.99	338.77	1.56	-66.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)N(C)C	REAL250005063231	1	42	-1.0	-49.60	338.78	-0.68	-50.28
CCC=C(F)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063232	0	38	-1.0	-46.57	323.25	1.86	-44.71
CCC=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063233	0	38	-1.0	-49.49	322.60	1.99	-47.50
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CO	REAL250005063235	0	41	-1.0	-49.34	321.48	-2.06	-51.40
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CCC1	REAL250005063236	0	38	-1.0	-46.28	318.26	1.83	-44.45
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005063237	0	32	-1.0	-54.32	277.40	-2.33	-56.65
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(N)=O	REAL250005063238	0	36	-1.0	-50.92	317.92	-2.76	-53.68
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)O	REAL250005063239	0	35	-1.0	-51.17	294.48	-1.81	-52.98
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CCC1	REAL250005063240	0	39	-1.0	-47.72	319.06	-1.32	-49.04
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(O)C1CC1	REAL250005063241	0	39	-1.0	-49.55	322.49	-0.07	-49.62
C=CCC(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063242	0	41	-1.0	-46.44	337.76	2.25	-44.19
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1F	REAL250005063243	0	35	-1.0	-52.57	308.72	1.54	-51.03
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)[NH+](C)C	REAL250005063244	0	43	0.0	-67.99	338.77	1.56	-66.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)N(C)C	REAL250005063244	1	42	-1.0	-49.60	338.78	-0.68	-50.28
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005063245	0	34	-1.0	-48.23	293.52	0.70	-47.53
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)COC1	REAL250005063246	0	37	-1.0	-48.62	310.17	-3.58	-52.20
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)=C1CC1	REAL250005063247	0	39	-1.0	-50.16	328.16	2.48	-47.68
CCC1CC1C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063248	0	41	-1.0	-48.33	339.03	2.86	-45.47
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC1	REAL250005063249	0	39	-1.0	-52.68	332.37	-1.28	-53.96
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005063250	0	35	-1.0	-51.78	307.71	1.34	-50.44
C#CCCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063251	0	36	-1.0	-49.22	314.20	1.85	-47.37
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC1	REAL250005063252	0	40	-1.0	-50.23	332.33	-1.43	-51.66
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005063252	1	41	0.0	-69.87	336.65	1.78	-68.09
C#C[C@H]1C[C@H]1C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063253	0	37	-1.0	-51.88	325.38	2.65	-49.23
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C2CCC21	REAL250005063254	0	39	-1.0	-49.20	320.39	2.62	-46.58
C=C1CCC1C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063255	0	39	-1.0	-48.41	326.64	2.24	-46.17
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1[C@H](C)[C@@H]1C	REAL250005063256	0	41	-1.0	-48.90	340.39	2.70	-46.20
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)[NH+](C)C	REAL250005063257	0	43	0.0	-68.29	344.16	1.78	-66.51
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)N(C)C	REAL250005063257	1	42	-1.0	-49.75	338.97	-0.69	-50.44
CC=CC=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063258	0	39	-1.0	-49.59	336.67	2.66	-46.93
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCOC	REAL250005063259	0	39	-1.0	-51.85	334.88	0.27	-51.58
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)COC1	REAL250005063260	0	39	-1.0	-49.18	318.35	-0.66	-49.84
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCO1	REAL250005063261	0	36	-1.0	-53.75	306.73	0.20	-53.55
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCN=[N+]=[N-]	REAL250005063262	0	36	-1.0	-48.37	317.08	-2.82	-51.19
C#CCOCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063263	0	37	-1.0	-55.52	327.28	1.44	-54.08
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)O	REAL250005063264	0	38	-1.0	-47.13	308.91	-1.55	-48.68
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C=C1C	REAL250005063265	0	36	-1.0	-49.77	313.57	2.06	-47.71
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)N(C)C	REAL250005063266	0	38	-1.0	-46.56	317.34	-0.49	-47.05
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CSC	REAL250005063267	0	36	-1.0	-48.74	323.53	1.54	-47.20
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(O)CC	REAL250005063268	0	41	-1.0	-47.13	325.73	-0.85	-47.98
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC	REAL250005063269	0	43	0.0	-70.11	340.26	1.91	-68.20
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC	REAL250005063269	1	43	0.0	-70.08	340.25	1.91	-68.17
CCN(C)CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063269	1	42	-1.0	-49.77	338.40	-0.36	-50.13
C=C1CC(C(=O)N(CC)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005063270	0	39	-1.0	-48.90	325.78	2.28	-46.62
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1F	REAL250005063271	0	38	-1.0	-49.48	322.87	1.98	-47.50
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=N1	REAL250005063272	0	35	-1.0	-51.70	305.46	1.34	-50.36
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN1	REAL250005063272	1	35	-1.0	-53.24	301.63	1.09	-52.15
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCO1	REAL250005063273	0	37	-1.0	-47.91	315.23	0.95	-46.96
CCC[C@H](O)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063274	0	41	-1.0	-48.93	337.83	-0.16	-49.09
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](O)C(C)C	REAL250005063275	0	41	-1.0	-48.88	330.46	-0.27	-49.15
CCOC=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063276	0	39	-1.0	-48.71	334.54	0.84	-47.87
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)O	REAL250005063277	0	35	-1.0	-53.23	298.30	-1.67	-54.90
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005063278	0	36	-1.0	-53.27	312.63	-2.14	-55.41
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)OC	REAL250005063279	0	41	-1.0	-53.70	318.70	0.52	-53.18
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCO	REAL250005063280	0	41	-1.0	-50.40	341.35	-1.23	-51.63
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CO)CC1	REAL250005063281	0	39	-1.0	-49.94	322.66	-1.16	-51.10
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(F)OC	REAL250005063282	0	35	-1.0	-49.72	306.74	-0.60	-50.32
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C12CC1CC2	REAL250005063283	0	39	-1.0	-49.53	321.71	2.29	-47.24
C=C[C@H](C)CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063284	0	41	-1.0	-48.89	337.93	2.45	-46.44
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1CC1	REAL250005063285	0	39	-1.0	-48.88	337.53	2.93	-45.95
CC=C(CC)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063286	0	41	-1.0	-49.64	338.39	2.25	-47.39
C=CC(C)(O)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063287	0	39	-1.0	-45.54	319.83	-0.87	-46.41
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005063288	0	36	-1.0	-50.74	301.68	1.64	-49.10
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=NOC	REAL250005063289	0	35	-1.0	-51.89	310.42	-0.84	-52.73
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC1	REAL250005063290	0	35	-1.0	-46.04	303.40	1.36	-44.68
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOCC1	REAL250005063291	0	36	-1.0	-46.93	311.12	-0.04	-46.97
C#CC(C)(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063292	0	39	-1.0	-52.41	317.60	1.58	-50.83
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC1	REAL250005063293	0	39	-1.0	-53.73	331.88	1.69	-52.04
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=CN1	REAL250005063294	0	35	-1.0	-49.32	305.39	0.54	-48.78
CCCC=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063295	0	41	-1.0	-49.27	344.10	2.76	-46.51
CC=C(F)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063296	0	35	-1.0	-46.82	302.94	1.12	-45.70
CCC(CO)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063297	0	41	-1.0	-48.94	339.23	-1.54	-50.48
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)CO	REAL250005063298	0	38	-1.0	-47.57	315.70	-2.31	-49.88
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CON=C1	REAL250005063299	0	34	-1.0	-49.10	296.75	-0.08	-49.18
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1CF	REAL250005063300	0	38	-1.0	-51.87	325.65	2.10	-49.77
C#CC1(C(=O)N(CC)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063301	0	37	-1.0	-48.30	321.01	2.12	-46.18
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCC1	REAL250005063302	0	37	-1.0	-50.07	307.80	0.07	-50.00
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)O	REAL250005063303	0	35	-1.0	-53.40	298.31	-1.69	-55.09
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C=CCC1	REAL250005063304	0	39	-1.0	-46.73	319.04	2.12	-44.61
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)C(C)O	REAL250005063305	0	41	-1.0	-51.02	328.38	-0.47	-51.49
C=C1CC1C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063306	0	36	-1.0	-49.34	311.16	1.91	-47.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)CF	REAL250005063307	0	37	-1.0	-46.39	310.87	1.13	-45.26
C=C(C)CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063308	0	38	-1.0	-49.21	321.44	1.76	-47.45
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)=C(C)C	REAL250005063309	0	41	-1.0	-50.04	337.34	2.13	-47.91
CCCC(O)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063310	0	41	-1.0	-48.08	336.32	-0.21	-48.29
CCC(O)CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063311	0	41	-1.0	-52.89	339.09	-0.30	-53.19
CC=CC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063312	0	35	-1.0	-49.66	301.51	1.23	-48.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1F	REAL250005063313	0	38	-1.0	-53.71	318.85	1.74	-51.97
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@@H](O)C1	REAL250005063314	0	39	-1.0	-53.02	323.48	-1.66	-54.68
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1C	REAL250005063315	0	38	-1.0	-48.85	323.10	2.10	-46.75
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(=O)NC	REAL250005063316	0	38	-1.0	-61.45	323.02	-0.41	-61.86
C=CC=CCC(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063317	0	39	-1.0	-50.22	335.08	2.53	-47.69
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(N)=O	REAL250005063318	0	38	-1.0	-50.44	324.61	-2.61	-53.05
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(C)O	REAL250005063319	0	41	-1.0	-49.11	340.24	-1.18	-50.29
C#CCC(C)C(=O)N(CC)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005063320	0	39	-1.0	-46.98	330.73	2.22	-44.76
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)CCO	REAL250005063321	0	41	-1.0	-49.90	334.84	-1.71	-51.61
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](O)CF	REAL250005063322	0	35	-1.0	-48.94	303.81	-1.52	-50.46
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CC1	REAL250005063323	0	36	-1.0	-48.60	304.97	-1.19	-49.79
CCN(CCNC(=O)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063324	0	38	-1.0	-52.64	318.51	2.08	-50.56
CCN(CCNC(=O)C(C)(C)F)C(=O)C1=CC(=O)[N-]O1	REAL250005063325	0	37	-1.0	-49.16	314.38	1.19	-47.97
CCN(CCNC(=O)C(C)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005063326	0	34	-1.0	-47.86	299.42	0.73	-47.13
CCN(CCNC(=O)COC)C(=O)C1=CC(=O)[N-]O1	REAL250005063327	0	35	-1.0	-55.64	300.29	-0.10	-55.74
CCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063328	0	37	-1.0	-52.28	309.06	1.30	-50.98
CCN(CCNC(=O)C1=CC=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005063329	0	35	-1.0	-52.25	304.25	0.74	-51.51
CCN(CCNC(=O)CNC(C)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005063330	0	38	-1.0	-53.02	326.23	-1.78	-54.80
CCN(CCNC(=O)CC(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063331	0	40	-1.0	-51.88	325.79	1.89	-49.99
CCN(CCNC(=O)C1CC1C)C(=O)C1=CC(=O)[N-]O1	REAL250005063332	0	38	-1.0	-52.22	319.46	1.98	-50.24
CCOCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063333	0	38	-1.0	-55.71	322.14	0.86	-54.85
CCN(CCNC(=O)C=C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063334	0	38	-1.0	-51.55	317.32	1.85	-49.70
CCN(CCNC(=O)C1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005063335	0	39	-1.0	-55.96	320.65	1.00	-54.96
CCN(CCNC(=O)CSC)C(=O)C1=CC(=O)[N-]O1	REAL250005063336	0	35	-1.0	-54.79	310.63	0.96	-53.83
CCN(CCNC(=O)CCC(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063337	0	43	-1.0	-52.18	348.13	2.59	-49.59
CCN(CCNC(=O)C1=CC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005063338	0	36	-1.0	-54.97	310.07	0.64	-54.33
CCN(CCNC(=O)C1=COC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005063339	0	35	-1.0	-55.97	303.42	0.70	-55.27
CCCCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063340	0	43	-1.0	-52.20	352.06	2.86	-49.34
CCN(CCNC(=O)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063341	0	43	-1.0	-51.03	340.76	2.41	-48.62
CCCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063342	0	40	-1.0	-52.34	330.56	2.08	-50.26
CCN(CCNC(=O)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063343	0	37	-1.0	-52.08	307.11	1.21	-50.87
CCC(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063344	0	40	-1.0	-51.99	325.24	1.86	-50.13
CCC(CC)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063345	0	43	-1.0	-52.40	341.43	2.35	-50.05
CCN(CCNC(=O)C1=CC=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005063346	0	35	-1.0	-52.31	301.84	-0.79	-53.10
CCOC(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063347	0	41	-1.0	-55.48	341.93	1.56	-53.92
CCN(CCNC(=O)C1=CNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005063348	0	35	-1.0	-53.79	302.13	-0.83	-54.62
CCN(CCNC(=O)CCCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005063349	0	41	-1.0	-55.05	342.74	0.37	-54.68
CCN(CCNC(=O)C1=NOC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005063350	0	34	-1.0	-52.40	298.73	-0.02	-52.42
CCC=C(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063351	0	41	-1.0	-52.30	336.47	2.61	-49.69
CCN(CCNC(=O)C(C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005063352	0	38	-1.0	-55.56	320.07	0.60	-54.96
CCN(CCNC(=O)COC(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063353	0	41	-1.0	-55.69	342.42	1.59	-54.10
CCCOCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063354	0	41	-1.0	-55.50	343.64	1.66	-53.84
CCN(CCNC(=O)C1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063355	0	39	-1.0	-54.34	318.54	-0.21	-54.55
CCC(OC)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063356	0	41	-1.0	-54.24	340.91	1.46	-52.78
CCN(CCNC(=O)CC(C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005063357	0	41	-1.0	-53.19	340.38	1.13	-52.06
C=CCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063358	0	38	-1.0	-52.23	321.87	1.86	-50.37
CCOCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063359	0	41	-1.0	-51.63	343.09	0.57	-51.06
CCN(CCNC(=O)C(C)COC)C(=O)C1=CC(=O)[N-]O1	REAL250005063360	0	41	-1.0	-51.22	339.95	0.32	-50.90
C=CCOCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063361	0	39	-1.0	-56.07	335.04	1.43	-54.64
CCN(CCNC(=O)C1=COC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005063362	0	34	-1.0	-52.56	301.97	-2.56	-55.12
CCN(CCNC(=O)C(C)C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005063363	0	35	-1.0	-59.43	306.54	0.83	-58.60
CCCC(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063364	0	43	-1.0	-52.09	346.74	2.61	-49.48
CCN(CCNC(=O)CCC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063365	0	41	-1.0	-52.29	340.68	2.87	-49.42
CCN(CCNC(=O)C1CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063366	0	39	-1.0	-51.86	320.17	2.19	-49.67
CCN(CCNC(=O)CC1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063367	0	41	-1.0	-52.48	332.54	2.48	-50.00
CCN(CCNC(=O)C(C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063368	0	41	-1.0	-52.36	336.42	2.65	-49.71
CC=C(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063369	0	38	-1.0	-52.50	315.88	1.82	-50.68
CCN(CCNC(=O)C1CC(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005063370	0	41	-1.0	-52.16	331.78	2.33	-49.83
CCN(CCNC(=O)C=C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063371	0	39	-1.0	-52.56	323.79	2.42	-50.14
CCN(CCNC(=O)C(F)=C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063372	0	38	-1.0	-48.38	322.05	1.91	-46.47
CCN(CCNC(=O)C1=CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063373	0	39	-1.0	-52.14	324.15	2.40	-49.74
CCN(CCNC(=O)C1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063374	0	41	-1.0	-51.49	334.68	2.53	-48.96
CCN(CCNC(=O)[C@H]1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063375	0	41	-1.0	-51.49	331.76	2.42	-49.07
CCN(CCNC(=O)[C@@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005063376	0	39	-1.0	-56.00	323.35	1.06	-54.94
CCC(C)CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063377	0	43	-1.0	-51.89	344.02	2.55	-49.34
C#CCCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063378	0	39	-1.0	-55.14	336.34	2.60	-52.54
CCN(CCNC(=O)CC(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005063379	0	41	-1.0	-51.65	331.98	-0.16	-51.81
CCN(CCNC(=O)[C@H](O)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063380	0	41	-1.0	-51.96	331.81	-0.14	-52.10
CCC(C)=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063381	0	41	-1.0	-51.20	338.79	2.60	-48.60
CCN(CCNC(=O)C#CC(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063382	0	39	-1.0	-52.16	336.96	2.56	-49.60
CCN(CCNC(=O)C#CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063383	0	37	-1.0	-52.55	326.63	2.73	-49.82
CCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063384	0	34	-1.0	-52.50	287.56	0.54	-51.96
CCN(CCNC(=O)CCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005063385	0	38	-1.0	-51.70	321.24	-0.39	-52.09
CCN(CCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063386	0	35	-1.0	-52.19	298.12	1.31	-50.88
CCN(CCNC(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063387	0	38	-1.0	-52.04	311.37	1.70	-50.34
CCN(CCNC(=O)C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063388	0	41	-1.0	-51.79	330.10	2.42	-49.37
C=CCCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063389	0	41	-1.0	-52.62	343.37	2.64	-49.98
CCN(CCNC(=O)C(C)(C)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063390	0	43	-1.0	-52.13	340.22	2.27	-49.86
CCN(CCNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005063391	0	32	-1.0	-49.36	282.91	-4.14	-53.50
CCN(CCNC(=O)CC1CC1C)C(=O)C1=CC(=O)[N-]O1	REAL250005063392	0	41	-1.0	-52.61	336.95	2.64	-49.97
CCN(CCNC(=O)C1(CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063393	0	41	-1.0	-52.30	336.51	2.36	-49.94
CCN(CCNC(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063394	0	40	-1.0	-51.97	326.00	1.77	-50.20
C=C(C)CCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063395	0	41	-1.0	-51.88	343.49	2.53	-49.35
CCN(CCNC(=O)C1(CF)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063396	0	38	-1.0	-50.71	320.60	2.00	-48.71
CCN(CCNC(=O)C(C)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063397	0	43	-1.0	-51.46	341.13	2.41	-49.05
CC[C@@H]1C[C@H]1C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063398	0	41	-1.0	-52.13	340.96	2.74	-49.39
CCN(CCNC(=O)C1CC12CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005063399	0	39	-1.0	-52.57	327.60	2.65	-49.92
CCN(CCNC(=O)[C@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005063400	0	39	-1.0	-56.16	320.88	0.94	-55.22
CCN(CCNC(=O)CC1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063401	0	41	-1.0	-52.17	334.77	2.44	-49.73
CCN(CCNC(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063402	0	38	-1.0	-51.95	312.91	1.80	-50.15
CCN(CCNC(=O)C1=CNC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005063403	0	36	-1.0	-58.43	307.27	0.60	-57.83
CCN(CCNC(=O)C1=CN=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005063404	0	34	-1.0	-52.74	301.97	-2.46	-55.20
C=CC(C)(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063405	0	41	-1.0	-52.43	334.76	2.17	-50.26
CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005063406	0	38	-1.0	-51.92	319.05	1.96	-49.96
CCN(CCNC(=O)C1(C)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063407	0	41	-1.0	-52.06	328.56	2.23	-49.83
CCC(F)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063408	0	37	-1.0	-53.33	315.34	1.34	-51.99
CCN(CCNC(=O)CCCF)C(=O)C1=CC(=O)[N-]O1	REAL250005063409	0	37	-1.0	-55.16	315.65	1.44	-53.72
CCN(CCNC(=O)[C@H]1C[C@@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005063410	0	38	-1.0	-51.88	319.02	1.97	-49.91
CCN(CCNC(=O)C1=NNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005063411	0	34	-1.0	-50.58	297.55	-2.24	-52.82
CCN(CCNC(=O)C1=CN=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005063411	1	34	-1.0	-52.80	296.65	-2.17	-54.97
CCN(CCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005063412	0	32	-1.0	-57.40	278.03	-2.38	-59.78
CCN(CCNC(=O)C=CC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005063413	0	36	-1.0	-53.69	317.53	-2.82	-56.51
CCN(CCNC(=O)CC(=O)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005063414	0	37	-1.0	-60.54	319.51	1.51	-59.03
CCN(CCNC(=O)C=CSC)C(=O)C1=CC(=O)[N-]O1	REAL250005063415	0	36	-1.0	-51.46	323.19	1.45	-50.01
CCN(CCNC(=O)CCC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005063416	0	38	-1.0	-53.45	325.25	-2.63	-56.08
CCN(CCNC(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005063417	0	36	-1.0	-55.81	303.23	-0.07	-55.88
CCN(CCNC(=O)C1=CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005063418	0	37	-1.0	-50.74	312.73	0.30	-50.44
CCN(CCNC(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063419	0	36	-1.0	-52.52	304.92	-0.96	-53.48
CCN(CCNC(=O)C=CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005063420	0	36	-1.0	-56.04	312.24	-2.22	-58.26
CC=CC(O)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063421	0	39	-1.0	-52.35	333.28	-0.19	-52.54
CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063422	0	43	0.0	-70.88	337.49	1.59	-69.29
CCN(CCNC(=O)[C@H](C)N(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063422	1	42	-1.0	-52.84	334.80	-0.76	-53.60
CCC=C(F)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063423	0	38	-1.0	-48.70	326.41	1.95	-46.75
CCC=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063424	0	38	-1.0	-52.21	322.23	1.91	-50.30
CCN(CCNC(=O)CCN=[N+]=[N-])C(=O)C1=CC(=O)[N-]O1	REAL250005063425	0	36	-1.0	-51.26	317.68	-2.85	-54.11
C#CCOCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063426	0	37	-1.0	-58.52	327.93	1.39	-57.13
CCN(CCNC(=O)CCC(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005063427	0	41	-1.0	-51.94	340.87	-1.20	-53.14
C#CCCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063428	0	36	-1.0	-52.15	314.85	1.82	-50.33
CC=CC=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063429	0	39	-1.0	-52.35	336.31	2.58	-49.77
CCN(CCNC(=O)C=CCOC)C(=O)C1=CC(=O)[N-]O1	REAL250005063430	0	39	-1.0	-54.58	334.50	0.18	-54.40
CCN(CCNC(=O)C(C)(O)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063431	0	41	-1.0	-50.42	334.66	-1.37	-51.79
C#CCC(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063432	0	39	-1.0	-51.61	332.72	2.39	-49.22
C=CC(O)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063433	0	36	-1.0	-52.68	311.57	-1.05	-53.73
CCN(CCNC(=O)C12CC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005063434	0	39	-1.0	-52.46	326.54	2.50	-49.96
C=C[C@H](C)CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063435	0	41	-1.0	-51.80	338.58	2.42	-49.38
CCN(CCNC(=O)C=CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063436	0	39	-1.0	-52.16	333.12	2.72	-49.44
CCC(C#N)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063437	0	38	-1.0	-50.97	327.17	1.48	-49.49
CCN(CCNC(=O)C1C2CCC21)C(=O)C1=CC(=O)[N-]O1	REAL250005063438	0	39	-1.0	-52.12	320.78	2.64	-49.48
C=C1CCC1C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063439	0	39	-1.0	-51.24	324.19	2.18	-49.06
CCN(CCNC(=O)C1[C@H](C)[C@@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005063440	0	41	-1.0	-50.88	327.86	2.47	-48.41
CCN(CCNC(=O)C[N@H+](C)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063441	0	43	0.0	-73.07	337.95	1.81	-71.26
CCN(CCNC(=O)C[N@@H+](C)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063441	1	43	0.0	-73.05	340.88	1.92	-71.13
CCN(C)CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063441	1	42	-1.0	-52.76	339.04	-0.34	-53.10
CCN(CCNC(=O)C(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005063442	0	35	-1.0	-52.65	298.36	-1.60	-54.25
CCN(CCNC(=O)C(C)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005063443	0	33	-1.0	-48.77	289.31	-0.34	-49.11
CCN(CCNC(=O)CCCC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005063444	0	38	-1.0	-60.96	329.92	1.82	-59.14
CCN(CCNC(=O)C1(C#N)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063445	0	36	-1.0	-51.70	317.39	1.55	-50.15
C=C1CC(C(=O)NCCN(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005063446	0	39	-1.0	-51.67	327.81	2.32	-49.35
CCN(CCNC(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063447	0	35	-1.0	-49.74	301.35	1.25	-48.49
CCN(CCNC(=O)C(C)(C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005063448	0	41	-1.0	-55.88	332.02	1.09	-54.79
CCN(CCNC(=O)C(C)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005063449	0	38	-1.0	-52.45	326.29	1.57	-50.88
CCC1CC1C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063450	0	41	-1.0	-51.56	335.40	2.76	-48.80
C=CC(C)(O)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063451	0	39	-1.0	-50.84	328.23	-1.29	-52.13
CCCC=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063452	0	41	-1.0	-52.05	343.73	2.68	-49.37
CC=C(F)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063453	0	35	-1.0	-48.97	306.11	1.21	-47.76
CCN(CCNC(=O)[C@@H](C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063454	0	43	0.0	-72.68	338.45	1.55	-71.13
CCN(CCNC(=O)[C@@H](C)N(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063454	1	42	-1.0	-52.24	329.84	-0.89	-53.13
CCOC=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063455	0	39	-1.0	-51.45	334.21	0.77	-50.68
CCN(CCNC(=O)COC(C)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005063456	0	37	-1.0	-54.78	323.62	1.48	-53.30
CCN(CCNC(=O)C=CC(C)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005063457	0	37	-1.0	-52.11	324.39	1.03	-51.08
CCN(CCNC(=O)COC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063458	0	39	-1.0	-56.61	332.51	1.64	-54.97
CCN(CCNC(=O)C1=NC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005063459	0	35	-1.0	-52.22	306.02	-0.43	-52.65
CCN(CCNC(=O)C(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005063460	0	38	-1.0	-51.61	317.70	-2.08	-53.69
CCN(CCNC(=O)C1=CON=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005063461	0	34	-1.0	-52.27	301.29	0.25	-52.02
CCN(CCNC(=O)CCCCO)C(=O)C1=CC(=O)[N-]O1	REAL250005063462	0	41	-1.0	-53.41	341.98	-1.26	-54.67
CCN(CCNC(=O)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063463	0	37	-1.0	-48.61	317.97	1.15	-47.46
CCN(CCNC(=O)CC1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063464	0	39	-1.0	-56.18	325.24	-1.54	-57.72
CCN(CCNC(=O)C1CCC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005063465	0	38	-1.0	-56.29	315.40	1.80	-54.49
CCN(CCNC(=O)[C@@H]1C[C@H]1CF)C(=O)C1=CC(=O)[N-]O1	REAL250005063466	0	38	-1.0	-53.54	325.71	2.11	-51.43
CCC(CO)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063467	0	41	-1.0	-51.68	334.94	-1.37	-53.05
CCN(CCNC(=O)[C@@H]1C[C@@H]1C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005063468	0	36	-1.0	-63.57	314.61	1.59	-61.98
CCN(CCNC(=O)C1=COCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063469	0	37	-1.0	-52.61	314.26	0.38	-52.23
CCN(CCNC(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063470	0	36	-1.0	-51.80	306.44	-1.76	-53.56
CCN(CCNC(=O)C1=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063471	0	36	-1.0	-53.00	308.57	1.88	-51.12
CCN(CCNC(=O)C(C)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005063472	0	37	-1.0	-50.62	312.91	1.33	-49.29
CC=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063473	0	35	-1.0	-52.41	301.14	1.15	-51.26
CCN(CCNC(=O)C1(C)CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005063474	0	38	-1.0	-51.30	322.04	1.99	-49.31
CCN(CCNC(=O)C=CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005063475	0	35	-1.0	-54.62	307.32	1.26	-53.36
CCN(CCNC(=O)C1(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063476	0	39	-1.0	-56.33	325.71	-1.69	-58.02
CCN(CCNC(=O)C1=CC=NO1)C(=O)C1=CC(=O)[N-]O1	REAL250005063477	0	34	-1.0	-50.08	298.74	0.16	-49.92
CCN(CCNC(=O)[C@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005063479	0	35	-1.0	-53.34	298.37	-1.60	-54.94
CCN(CCNC(=O)C=NOC)C(=O)C1=CC(=O)[N-]O1	REAL250005063480	0	35	-1.0	-54.57	310.03	-0.89	-55.46
CCN(CCNC(=O)[C@@H](O)C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063481	0	41	-1.0	-52.46	334.65	-0.07	-52.53
C#CC1(C(=O)NCCN(CC)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063482	0	37	-1.0	-50.79	320.85	2.27	-48.52
C=CC=CCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063483	0	39	-1.0	-53.08	335.73	2.50	-50.58
C#C[C@H]1C[C@H]1C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063484	0	37	-1.0	-55.26	317.99	2.35	-52.91
CC=C(CC)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063485	0	41	-1.0	-52.02	336.92	2.53	-49.49
CCN(CCNC(=O)C(F)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005063486	0	35	-1.0	-55.51	306.19	-0.62	-56.13
CCN(CCNC(=O)[C@@H]1C[C@H]1C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005063487	0	36	-1.0	-54.26	316.12	1.62	-52.64
CCN(CCNC(=O)[C@H]1C[C@@H](O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005063488	0	39	-1.0	-55.86	323.28	-1.70	-57.56
CCN(CCNC(=O)C(C)(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005063489	0	41	-1.0	-51.60	335.35	-1.43	-53.03
C=CCC(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063490	0	41	-1.0	-51.89	339.74	2.45	-49.44
CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005063491	0	38	-1.0	-51.92	319.05	1.96	-49.96
CCN(CCNC(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005063492	0	38	-1.0	-50.45	318.05	-2.03	-52.48
CCN(CCNC(=O)C1=NOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063493	0	36	-1.0	-49.57	308.68	-0.73	-50.30
CCN(CCNC(=O)CC(C)C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005063494	0	38	-1.0	-52.41	325.11	1.57	-50.84
CCN(CCNC(=O)C(C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005063495	0	41	-1.0	-56.04	336.66	-1.50	-57.54
CCN(CCNC(=O)[C@H](O)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005063496	0	35	-1.0	-52.74	301.74	-1.55	-54.29
CCN(CCNC(=O)C1(O)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063497	0	39	-1.0	-52.22	317.91	-1.36	-53.58
CCN(CCNC(=O)C(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063498	0	39	-1.0	-52.26	323.74	0.09	-52.17
C=C(C)CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063499	0	38	-1.0	-52.20	321.83	1.72	-50.48
CCN(CCNC(=O)C(C)(C)C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005063500	0	38	-1.0	-58.71	325.39	1.34	-57.37
CCN(CCNC(=O)C(C)=C(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063501	0	41	-1.0	-51.71	331.04	2.54	-49.17
CCN(CCNC(=O)CC(=O)NC)C(=O)C1=CC(=O)[N-]O1	REAL250005063502	0	38	-1.0	-64.73	323.65	-0.42	-65.15
CCN(CCNC(=O)C1CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005063503	0	38	-1.0	-52.53	317.57	1.78	-50.75
C=CCC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063504	0	35	-1.0	-52.67	300.48	1.08	-51.59
CCN(CCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063505	0	40	0.0	-73.85	323.15	1.25	-72.60
CCN(CCNC(=O)CN(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063505	1	39	-1.0	-52.87	321.07	-1.13	-54.00
CCN(CCNC(=O)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005063506	0	32	-1.0	-61.53	287.03	0.21	-61.32
CCN(CCNC(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005063507	0	35	-1.0	-55.60	304.29	1.37	-54.23
CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063508	0	43	0.0	-70.88	337.49	1.59	-69.29
CCN(CCNC(=O)[C@H](C)N(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063508	1	42	-1.0	-52.84	334.80	-0.76	-53.60
CCN(CCNC(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005063509	0	34	-1.0	-51.22	294.16	0.68	-50.54
CCN(CCNC(=O)C1C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063510	0	39	-1.0	-51.74	323.16	2.33	-49.41
C#CC(C)(C)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063511	0	39	-1.0	-54.61	331.82	2.21	-52.40
CCN(CCNC(=O)[C@@H](C)OC)C(=O)C1=CC(=O)[N-]O1	REAL250005063512	0	38	-1.0	-55.55	317.15	0.50	-55.05
CCN(CCNC(=O)CCC(C)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005063513	0	39	-1.0	-52.00	332.15	1.20	-50.80
CCN(CCNC(=O)[C@@H](C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005063514	0	35	-1.0	-52.56	295.44	-1.70	-54.26
CCN(CCNC(=O)CN1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063515	0	40	-1.0	-54.17	326.00	-1.65	-55.82
CCN(CCNC(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063515	1	41	0.0	-73.94	330.32	1.57	-72.37
CCN(CCNC(=O)C(C)C(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005063516	0	41	-1.0	-50.93	333.97	-1.34	-52.27
C=C1CC1C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063517	0	36	-1.0	-52.20	311.66	1.88	-50.32
CCN(CCNC(=O)C1(C)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063518	0	39	-1.0	-51.92	320.32	-0.47	-52.39
CCN(CCNC(=O)C1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005063519	0	36	-1.0	-59.01	309.50	-3.11	-62.12
CCN(CCNC(=O)[C@@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005063520	0	36	-1.0	-59.51	311.99	-3.02	-62.53
CCC[C@H](O)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063521	0	41	-1.0	-52.62	337.42	-0.10	-52.72
CCN(CCNC(=O)C1(F)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063522	0	38	-1.0	-50.25	317.73	1.74	-48.51
CCN(CCNC(=O)C1=CN=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005063523	0	35	-1.0	-56.10	304.89	0.37	-55.73
CCN(CCNC(=O)C1CC(=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005063524	0	37	-1.0	-54.05	317.03	0.89	-53.16
CCN(CCNC(=O)C1(O)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063525	0	37	-1.0	-53.27	313.20	-3.48	-56.75
CCN(CCNC(=O)C(C)=C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063526	0	39	-1.0	-52.97	330.34	2.77	-50.20
CCN(CCNC(=O)C1C=C1C)C(=O)C1=CC(=O)[N-]O1	REAL250005063527	0	36	-1.0	-52.80	310.20	1.88	-50.92
CCN(CCNC(=O)C(=O)N(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005063528	0	38	-1.0	-49.33	320.30	-0.64	-49.97
CCCC(O)C(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063529	0	41	-1.0	-52.62	340.35	0.01	-52.61
CCC(O)CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063530	0	41	-1.0	-55.94	339.73	-0.31	-56.25
CCN(CCNC(=O)[C@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005063531	0	36	-1.0	-60.43	311.99	-3.12	-63.55
CCN(CCNC(=O)C1(OC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063532	0	39	-1.0	-54.80	326.03	1.06	-53.74
CCN(CCNC(=O)C1CSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005063533	0	36	-1.0	-51.82	314.16	1.46	-50.36
C=CC(=O)NCCN(CC)C(=O)C1=CC(=O)[N-]O1	REAL250005063534	0	32	-1.0	-52.61	279.42	0.26	-52.35
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(=O)N1	REAL250005063535	0	36	-1.0	-55.46	310.96	-3.11	-58.57
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(F)C1	REAL250005063536	0	38	-1.0	-51.70	322.71	1.97	-49.73
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NO1	REAL250005063537	0	34	-1.0	-47.66	301.30	0.25	-47.41
COCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063538	0	35	-1.0	-45.49	306.38	-2.20	-47.69
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005063539	0	32	-1.0	-45.12	283.23	-0.50	-45.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005063540	0	35	-1.0	-44.93	299.44	0.01	-44.92
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1	REAL250005063541	0	38	-1.0	-44.77	315.74	0.62	-44.15
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOCC1	REAL250005063542	0	39	-1.0	-45.70	325.01	-1.13	-46.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005063543	0	35	-1.0	-45.38	303.65	0.27	-45.11
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)F	REAL250005063544	0	34	-1.0	-43.34	299.53	-0.61	-43.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(F)F	REAL250005063545	0	31	-1.0	-44.31	284.56	-1.08	-45.39
COCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063546	0	32	-1.0	-48.13	285.43	-1.90	-50.03
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC=N1	REAL250005063547	0	34	-1.0	-47.13	305.31	-0.67	-47.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=C1	REAL250005063548	0	34	-1.0	-46.54	303.28	-0.73	-47.27
CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063549	0	34	-1.0	-45.07	294.21	-0.51	-45.58
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN=C1	REAL250005063550	0	34	-1.0	-47.21	303.08	-0.73	-47.94
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CO1	REAL250005063551	0	32	-1.0	-46.44	292.32	-0.95	-47.39
CC(=O)NCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063552	0	35	-1.0	-48.52	311.08	-3.57	-52.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC=C1	REAL250005063553	0	35	-1.0	-46.20	308.10	1.04	-45.16
CC(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063554	0	37	-1.0	-44.71	310.94	0.09	-44.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCCC1	REAL250005063555	0	41	-1.0	-44.55	333.86	1.29	-43.26
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CC=N1	REAL250005063556	0	33	-1.0	-46.94	300.10	-2.55	-49.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCCC1	REAL250005063557	0	41	-1.0	-44.82	335.91	1.34	-43.48
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CS1	REAL250005063558	0	32	-1.0	-45.38	300.24	0.04	-45.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005063559	0	35	-1.0	-44.95	304.60	0.17	-44.78
CCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063560	0	35	-1.0	-48.04	307.28	-0.95	-48.99
CC(C)=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063561	0	35	-1.0	-44.58	302.19	0.05	-44.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCCO1	REAL250005063562	0	35	-1.0	-49.81	306.26	-1.32	-51.13
CC(=O)NC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063563	0	38	-1.0	-47.55	330.64	-2.74	-50.29
CC1=CC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005063564	0	35	-1.0	-46.18	314.24	-0.13	-46.31
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCO1	REAL250005063565	0	36	-1.0	-47.58	309.14	-0.70	-48.28
CSCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063566	0	32	-1.0	-47.26	295.77	-0.85	-48.11
CC1=CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005063567	0	34	-1.0	-47.16	308.74	-0.88	-48.04
CSCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063568	0	35	-1.0	-45.15	317.44	-0.03	-45.18
CC(C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063569	0	40	-1.0	-44.99	333.27	0.78	-44.21
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=C1	REAL250005063570	0	32	-1.0	-46.02	299.44	-0.04	-46.06
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005063571	0	35	-1.0	-46.10	309.76	-0.18	-46.28
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C=CCC1	REAL250005063572	0	39	-1.0	-45.64	328.30	1.26	-44.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NN=N1	REAL250005063573	0	33	-1.0	-59.56	301.50	-1.74	-61.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)N=C1	REAL250005063574	0	35	-1.0	-48.99	313.13	-1.21	-50.20
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CCC1	REAL250005063575	0	39	-1.0	-44.74	326.14	1.19	-43.55
CC1=NOC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005063576	0	34	-1.0	-46.41	308.77	-0.93	-47.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1	REAL250005063577	0	33	-1.0	-47.46	295.21	-1.17	-48.63
CC(=O)CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063578	0	39	-1.0	-52.40	338.80	0.19	-52.21
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=C1	REAL250005063579	0	32	-1.0	-48.34	291.49	-0.99	-49.33
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=CC=N1	REAL250005063580	0	35	-1.0	-53.52	312.94	-0.86	-54.38
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005063581	0	35	-1.0	-46.35	310.21	-0.27	-46.62
CCCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063582	0	40	-1.0	-45.03	337.20	1.06	-43.97
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C	REAL250005063583	0	40	-1.0	-43.97	325.90	0.62	-43.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1C	REAL250005063584	0	36	-1.0	-46.90	313.16	0.49	-46.41
CCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063585	0	37	-1.0	-45.10	315.71	0.27	-44.83
CC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063586	0	34	-1.0	-44.80	292.25	-0.60	-45.40
CCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063587	0	37	-1.0	-44.74	310.38	0.05	-44.69
CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063588	0	38	-1.0	-54.90	329.69	-1.26	-56.16
CCC(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063589	0	40	-1.0	-44.61	326.22	0.55	-44.06
CC(C)OCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063590	0	41	-1.0	-45.44	348.51	-0.49	-45.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COCCO1	REAL250005063591	0	37	-1.0	-48.42	317.64	-1.89	-50.31
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1	REAL250005063592	0	32	-1.0	-46.77	289.91	-2.48	-49.25
CSC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063593	0	35	-1.0	-46.46	314.32	-0.27	-46.73
CCOC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063594	0	38	-1.0	-47.59	327.07	-0.25	-47.84
CCOCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063595	0	41	-1.0	-47.40	349.73	-0.47	-47.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COCC1CC1	REAL250005063596	0	39	-1.0	-48.21	338.95	0.64	-47.57
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCCO1	REAL250005063597	0	39	-1.0	-48.61	328.74	-0.34	-48.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1	REAL250005063598	0	32	-1.0	-48.06	290.20	-2.53	-50.59
COCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063599	0	38	-1.0	-47.41	327.88	-1.44	-48.85
CCOC1CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063600	0	39	-1.0	-45.58	338.79	-0.60	-46.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSN=C1	REAL250005063601	0	30	-1.0	-44.67	289.05	-2.98	-47.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NS1	REAL250005063602	0	30	-1.0	-46.01	290.38	-2.35	-48.36
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC=C1	REAL250005063603	0	31	-1.0	-47.92	286.80	-1.71	-49.63
CC(=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005063604	0	39	-1.0	-44.45	330.29	1.49	-42.96
CC1=NNC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005063605	0	35	-1.0	-46.99	311.86	-1.92	-48.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CS1	REAL250005063606	0	31	-1.0	-46.20	295.26	-1.81	-48.01
CCC=C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063607	0	38	-1.0	-45.15	321.41	0.81	-44.34
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005063608	0	34	-1.0	-47.17	305.10	-3.54	-50.71
CCOC(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063609	0	41	-1.0	-46.71	348.03	0.61	-46.10
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(F)(F)F	REAL250005063610	0	31	-1.0	-47.99	290.12	-0.85	-48.84
COC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063611	0	35	-1.0	-47.82	305.22	-1.19	-49.01
CC(C)OCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063612	0	38	-1.0	-47.97	327.56	-0.22	-48.19
CCCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063613	0	38	-1.0	-47.89	328.78	-0.14	-48.03
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1	REAL250005063614	0	36	-1.0	-45.25	306.64	-1.99	-47.24
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1C	REAL250005063615	0	35	-1.0	-46.59	308.31	-1.22	-47.81
CCC(OC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063616	0	38	-1.0	-46.26	326.24	-0.33	-46.59
COCCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063617	0	41	-1.0	-46.14	349.38	-0.65	-46.79
CCCC(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063618	0	43	-1.0	-44.62	350.66	1.51	-43.11
COC(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063619	0	38	-1.0	-47.08	325.52	-0.69	-47.77
C=CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063620	0	35	-1.0	-45.15	307.02	0.05	-45.10
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCCC1	REAL250005063621	0	37	-1.0	-45.71	314.29	-0.65	-46.36
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCOC1	REAL250005063622	0	39	-1.0	-45.43	324.93	-1.11	-46.54
CCOCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063623	0	38	-1.0	-45.46	328.24	-1.23	-46.69
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=N1	REAL250005063624	0	31	-1.0	-46.97	295.34	-1.96	-48.93
COCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063625	0	38	-1.0	-44.89	325.09	-1.48	-46.37
C=CCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063626	0	36	-1.0	-48.44	320.19	-0.37	-48.81
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=N1	REAL250005063627	0	31	-1.0	-47.50	287.11	-4.36	-51.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC(=O)N1	REAL250005063628	0	36	-1.0	-51.39	315.06	-3.38	-54.77
CC1=NC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005063629	0	35	-1.0	-48.15	312.02	-1.58	-49.73
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+]1C	REAL250005063630	0	41	0.0	-59.87	328.29	0.01	-59.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C	REAL250005063630	1	41	0.0	-59.58	333.98	0.42	-59.16
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCN1C	REAL250005063630	1	40	-1.0	-46.04	333.52	-1.81	-47.85
CCC(=O)NCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063631	0	38	-1.0	-48.32	331.68	-2.77	-51.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(C)(C)C	REAL250005063632	0	41	-1.0	-44.98	344.20	1.15	-43.83
CCCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063633	0	40	-1.0	-44.84	331.88	0.80	-44.04
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CC1	REAL250005063634	0	38	-1.0	-45.04	325.83	1.06	-43.98
CCCCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063635	0	41	-1.0	-47.86	350.28	0.64	-47.22
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NOC=C1	REAL250005063636	0	34	-1.0	-52.92	306.96	-0.93	-53.85
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCOC1	REAL250005063637	0	39	-1.0	-46.58	327.08	-1.22	-47.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CC1	REAL250005063638	0	36	-1.0	-44.93	308.25	0.50	-44.43
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NNC=C1	REAL250005063639	0	35	-1.0	-52.38	311.80	-1.84	-54.22
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCC1	REAL250005063640	0	38	-1.0	-45.04	320.61	0.79	-44.25
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005063641	0	34	-1.0	-47.03	305.08	-3.63	-50.66
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005063642	0	38	-1.0	-44.46	322.19	0.89	-43.57
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCCC21	REAL250005063643	0	39	-1.0	-44.38	318.32	1.56	-42.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CCC1	REAL250005063644	0	41	-1.0	-44.90	342.44	1.58	-43.32
CC=C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063645	0	35	-1.0	-45.36	301.02	0.04	-45.32
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)C1	REAL250005063646	0	38	-1.0	-44.81	320.37	0.65	-44.16
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCC1	REAL250005063647	0	36	-1.0	-45.60	311.87	0.73	-44.87
CCC(=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005063648	0	41	-1.0	-44.11	342.46	1.53	-42.58
CC(C)=C(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063649	0	35	-1.0	-43.87	306.54	0.10	-43.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCC1	REAL250005063650	0	36	-1.0	-45.20	309.29	0.61	-44.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)C=C1	REAL250005063651	0	36	-1.0	-48.18	318.13	0.63	-47.55
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)C=N1	REAL250005063652	0	35	-1.0	-49.94	313.67	0.26	-49.68
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCCO1	REAL250005063653	0	39	-1.0	-47.64	326.64	0.11	-47.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(C)C	REAL250005063654	0	38	-1.0	-44.44	319.84	0.71	-43.73
CCC(C)OCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063655	0	41	-1.0	-47.81	348.32	0.59	-47.22
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(C)C	REAL250005063656	0	38	-1.0	-44.37	319.83	0.72	-43.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCO1	REAL250005063657	0	36	-1.0	-48.59	308.93	-0.74	-49.33
C#CCCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063658	0	39	-1.0	-46.19	342.98	1.58	-44.61
CCNC(=O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063659	0	38	-1.0	-54.75	330.28	-1.40	-56.15
COC(C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063660	0	41	-1.0	-46.64	347.42	-0.66	-47.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN=C1	REAL250005063661	0	33	-1.0	-46.62	298.03	-0.91	-47.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCOCC1	REAL250005063662	0	37	-1.0	-45.51	315.43	-1.12	-46.63
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=COC=C1	REAL250005063663	0	35	-1.0	-47.83	313.46	-0.34	-48.17
CC1=NC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005063664	0	34	-1.0	-46.93	309.10	-3.62	-50.55
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)NC(N)=O	REAL250005063665	0	37	-1.0	-50.20	323.87	-5.51	-55.71
CC1=CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005063666	0	35	-1.0	-48.29	313.39	-0.16	-48.45
CCC(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063667	0	40	-1.0	-44.65	329.16	0.75	-43.90
C#CCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063668	0	36	-1.0	-47.52	321.49	0.79	-46.73
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)O	REAL250005063669	0	38	-1.0	-47.39	320.02	-2.02	-49.41
COC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005063670	0	39	-1.0	-46.03	335.50	0.52	-45.51
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1C	REAL250005063671	0	34	-1.0	-48.15	303.34	-2.62	-50.77
CCCCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063672	0	43	-1.0	-44.76	353.38	1.59	-43.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(C)C1	REAL250005063673	0	41	-1.0	-44.47	334.13	0.92	-43.55
CC(C)[C@@H](O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063674	0	38	-1.0	-44.86	319.84	-1.85	-46.71
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)N=N1	REAL250005063675	0	34	-1.0	-50.22	309.16	-2.65	-52.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)C=N1	REAL250005063676	0	34	-1.0	-52.96	308.60	-0.53	-53.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(F)F	REAL250005063677	0	32	-1.0	-48.63	294.72	-0.31	-48.94
CCC(C)=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063678	0	38	-1.0	-44.43	323.71	0.82	-43.61
CC(C)C#CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063679	0	36	-1.0	-46.34	322.10	0.77	-45.57
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CCC1	REAL250005063680	0	39	-1.0	-44.94	327.41	-1.13	-46.07
CC1=CNN=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063681	0	35	-1.0	-48.54	309.36	-1.81	-50.35
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005063682	0	39	-1.0	-45.54	329.58	1.50	-44.04
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1CC1	REAL250005063683	0	34	-1.0	-46.78	311.77	0.94	-45.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC(C)(C)C	REAL250005063684	0	39	-1.0	-46.33	342.24	1.31	-45.02
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250005063685	0	34	-1.0	-49.12	312.19	-0.15	-49.27
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCNC(N)=O	REAL250005063686	0	37	-1.0	-54.59	326.44	-5.75	-60.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(C)C1	REAL250005063687	0	41	-1.0	-44.66	337.33	1.23	-43.43
C#CCOCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063688	0	37	-1.0	-47.03	334.02	-0.69	-47.72
C#CCOC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063689	0	37	-1.0	-50.32	332.86	0.30	-50.02
C=CCC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063690	0	41	-1.0	-44.80	340.30	1.06	-43.74
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CCC2	REAL250005063691	0	39	-1.0	-44.75	330.54	1.44	-43.31
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(=O)N(C)C	REAL250005063692	0	38	-1.0	-55.13	326.57	-0.31	-55.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)C=C1	REAL250005063693	0	35	-1.0	-49.49	313.72	-1.16	-50.65
COCCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063694	0	41	-1.0	-46.86	344.06	-0.90	-47.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1N=CN=N1	REAL250005063695	0	33	-1.0	-53.14	303.04	-2.11	-55.25
CCCC[C@@H](C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063696	0	43	-1.0	-44.79	353.38	1.59	-43.20
CCC(C)(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063697	0	43	-1.0	-43.87	340.13	1.10	-42.77
CC(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063698	0	43	-1.0	-44.15	337.89	0.92	-43.23
C=CC(C)(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063699	0	41	-1.0	-43.93	334.56	1.01	-42.92
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1N=CC=N1	REAL250005063700	0	34	-1.0	-52.18	308.33	-2.49	-54.67
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C1CC1	REAL250005063701	0	39	-1.0	-45.25	336.80	1.74	-43.51
CCC(C)(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063702	0	43	-1.0	-44.60	341.31	0.94	-43.66
C=C(C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063703	0	38	-1.0	-45.06	328.66	0.73	-44.33
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NS1	REAL250005063704	0	31	-1.0	-46.01	295.31	-1.33	-47.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1COC2	REAL250005063705	0	37	-1.0	-47.89	319.13	-1.28	-49.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005063706	0	35	-1.0	-44.88	300.98	0.11	-44.77
CNC(=O)NCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063707	0	37	-1.0	-49.75	326.24	-4.93	-54.68
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCO1	REAL250005063708	0	36	-1.0	-47.64	309.10	-0.70	-48.34
CC(CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005063709	0	41	-1.0	-44.48	340.60	1.55	-42.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C(N)=O	REAL250005063710	0	38	-1.0	-54.28	322.73	-2.46	-56.74
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C2CC2)CC1	REAL250005063711	0	39	-1.0	-44.55	324.89	1.72	-42.83
COC1CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005063712	0	39	-1.0	-45.79	332.79	-0.99	-46.78
C=CCCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063713	0	39	-1.0	-47.97	341.60	0.42	-47.55
C=CCOC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063714	0	39	-1.0	-48.09	339.97	0.33	-47.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSC=C1	REAL250005063715	0	31	-1.0	-46.26	294.58	-1.48	-47.74
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005063716	0	41	-1.0	-44.75	338.85	1.36	-43.39
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC(C)C1	REAL250005063717	0	39	-1.0	-46.29	327.41	-1.13	-47.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC(N)=O	REAL250005063718	0	38	-1.0	-54.74	331.89	-3.66	-58.40
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCCC1	REAL250005063719	0	38	-1.0	-45.47	321.91	0.60	-44.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1C	REAL250005063720	0	35	-1.0	-48.86	308.15	0.19	-48.67
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005063721	0	43	-1.0	-43.63	338.18	0.99	-42.64
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNN=C1	REAL250005063722	0	31	-1.0	-45.78	285.62	-3.92	-49.70
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1	REAL250005063722	1	31	-1.0	-47.48	284.72	-3.86	-51.34
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005063723	0	35	-1.0	-48.57	308.02	-0.80	-49.37
COCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063724	0	39	-1.0	-46.68	337.83	-0.92	-47.60
COCC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063725	0	41	-1.0	-44.82	342.75	-0.84	-45.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)N=C1	REAL250005063726	0	34	-1.0	-47.02	308.67	-2.82	-49.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(F)F	REAL250005063727	0	34	-1.0	-48.07	306.87	-0.23	-48.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C)CC1	REAL250005063728	0	38	-1.0	-44.71	323.64	0.76	-43.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CCF)CC1	REAL250005063729	0	38	-1.0	-45.35	326.28	0.95	-44.40
CCC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005063730	0	43	0.0	-59.74	338.95	0.45	-59.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSN=N1	REAL250005063731	0	30	-1.0	-47.39	290.08	-2.60	-49.99
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCCC1	REAL250005063732	0	41	-1.0	-44.70	333.36	1.25	-43.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CO1	REAL250005063733	0	31	-1.0	-47.09	287.11	-4.26	-51.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC(=O)N1	REAL250005063734	0	36	-1.0	-52.66	315.04	-3.38	-56.04
CCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063735	0	43	0.0	-63.30	347.52	0.87	-62.43
CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063735	1	43	0.0	-63.23	347.52	0.87	-62.36
CC1=NNC=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063736	0	35	-1.0	-48.80	308.30	-1.93	-50.73
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005063737	0	34	-1.0	-47.25	302.98	-3.25	-50.50
CC1=NNN=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063737	1	34	-1.0	-45.66	304.22	-3.33	-48.99
CCCC(OC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063738	0	41	-1.0	-46.86	347.91	0.42	-46.44
C=C(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063739	0	41	-1.0	-44.61	335.98	0.92	-43.69
CC(CC(N)=O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063740	0	38	-1.0	-47.80	325.72	-3.82	-51.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCNC1=O	REAL250005063741	0	36	-1.0	-47.40	313.35	-3.69	-51.09
C=CC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063742	0	38	-1.0	-45.16	319.90	0.36	-44.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL250005063743	0	41	0.0	-60.97	333.33	0.52	-60.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@H+]1C	REAL250005063743	1	41	0.0	-63.85	328.25	0.01	-63.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCN1C	REAL250005063743	1	40	-1.0	-46.04	333.56	-1.82	-47.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005063744	0	35	-1.0	-45.10	304.61	0.17	-44.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCC1	REAL250005063745	0	38	-1.0	-44.70	316.63	0.53	-44.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)CO1	REAL250005063746	0	39	-1.0	-47.41	329.32	-0.08	-47.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1CCC2	REAL250005063747	0	39	-1.0	-45.01	327.85	1.32	-43.69
CC[NH+](CC)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063748	0	43	0.0	-61.34	339.88	0.53	-60.81
CCC(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063749	0	34	-1.0	-46.84	300.48	-0.46	-47.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCF	REAL250005063750	0	34	-1.0	-47.30	300.80	-0.37	-47.67
CC1=COC=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063751	0	35	-1.0	-48.04	310.35	-0.30	-48.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005063752	0	35	-1.0	-44.94	304.60	0.17	-44.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)C=CCC1	REAL250005063753	0	39	-1.0	-44.61	327.15	1.05	-43.56
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)N=N1	REAL250005063754	0	33	-1.0	-49.92	303.56	-3.24	-53.16
CC(C)C(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063755	0	37	-1.0	-44.30	314.99	0.13	-44.17
C=CC(C)C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063756	0	41	-1.0	-44.33	339.71	1.15	-43.18
CCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005063757	0	41	-1.0	-45.03	336.74	1.00	-44.03
CC#CCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063758	0	39	-1.0	-48.37	343.31	1.75	-46.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21	REAL250005063759	0	37	-1.0	-45.81	318.76	-1.13	-46.94
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC1CC1	REAL250005063760	0	41	-1.0	-45.22	347.32	1.84	-43.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1(C)C	REAL250005063761	0	41	-1.0	-44.25	335.01	1.08	-43.17
CC1=COC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005063762	0	35	-1.0	-46.27	314.22	-0.25	-46.52
C=CC(CC)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063763	0	41	-1.0	-44.76	344.25	1.32	-43.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C1CC1	REAL250005063764	0	41	-1.0	-44.85	334.30	1.20	-43.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1	REAL250005063765	0	39	-1.0	-44.97	326.97	1.34	-43.63
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CON=C1	REAL250005063766	0	34	-1.0	-50.13	307.70	-0.89	-51.02
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)(C)C	REAL250005063767	0	43	-1.0	-44.85	349.44	1.17	-43.68
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=N1	REAL250005063768	0	33	-1.0	-46.18	300.35	-0.87	-47.05
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC=CO1	REAL250005063769	0	35	-1.0	-49.29	313.47	-0.15	-49.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CC=N1	REAL250005063770	0	33	-1.0	-50.66	300.92	-1.47	-52.13
CCC(C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063771	0	43	-1.0	-44.97	351.51	1.44	-43.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN=N1	REAL250005063772	0	33	-1.0	-49.24	300.37	-1.82	-51.06
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1C	REAL250005063773	0	39	-1.0	-46.21	323.35	-1.24	-47.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCOC1	REAL250005063774	0	39	-1.0	-45.80	325.36	-1.46	-47.26
CCC(CC)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063775	0	43	-1.0	-44.53	343.30	1.27	-43.26
CCC(C)C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063776	0	43	-1.0	-44.20	344.46	1.25	-42.95
CCCC(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063777	0	43	-1.0	-44.98	352.81	1.35	-43.63
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(F)C1	REAL250005063778	0	38	-1.0	-47.05	322.18	0.69	-46.36
C=CCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063779	0	38	-1.0	-45.35	328.52	0.84	-44.51
CCC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063780	0	40	-1.0	-44.76	325.37	0.46	-44.30
CCCC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063781	0	43	-1.0	-44.68	346.87	1.23	-43.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C(N)=O)CC1	REAL250005063782	0	36	-1.0	-46.08	320.12	-3.96	-50.04
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005063783	0	29	-1.0	-46.34	268.06	-5.93	-52.27
CC1=NOC=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063784	0	34	-1.0	-48.04	305.53	-0.91	-48.95
CCC1(C)CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063785	0	41	-1.0	-44.51	336.90	1.31	-43.20
COCC(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063786	0	41	-1.0	-46.69	343.87	-0.80	-47.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1(C)CC1	REAL250005063787	0	41	-1.0	-44.96	342.16	1.42	-43.54
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005063788	0	34	-1.0	-46.09	305.32	-0.85	-46.94
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC=CC1	REAL250005063789	0	39	-1.0	-44.92	326.67	1.06	-43.86
COC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005063790	0	41	-1.0	-47.47	340.72	0.12	-47.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1C	REAL250005063791	0	38	-1.0	-45.32	325.02	0.94	-44.38
C=CC(C)(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063792	0	41	-1.0	-44.40	333.22	1.49	-42.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[C@H]1CCOC1	REAL250005063793	0	39	-1.0	-47.36	326.90	-1.13	-48.49
CCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063794	0	38	-1.0	-45.07	325.89	0.67	-44.40
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(F)F	REAL250005063795	0	34	-1.0	-49.93	304.61	-0.31	-50.24
CCCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063796	0	41	-1.0	-44.93	346.32	1.48	-43.45
CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063797	0	41	-1.0	-44.94	347.51	1.71	-43.23
CC(C)C1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063798	0	41	-1.0	-44.82	338.76	1.17	-43.65
C=C1CC(C)(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005063799	0	39	-1.0	-44.54	330.70	1.05	-43.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CC1	REAL250005063800	0	35	-1.0	-47.41	312.06	0.12	-47.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2(CC2)C1	REAL250005063801	0	39	-1.0	-44.71	331.80	1.40	-43.31
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005063802	0	37	-1.0	-44.62	311.15	-0.04	-44.66
CCCCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063803	0	43	-1.0	-45.01	358.70	1.84	-43.17
CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063804	0	43	0.0	-64.46	348.39	0.67	-63.79
CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063804	1	43	0.0	-64.53	348.39	0.65	-63.88
CC1=CON=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063805	0	34	-1.0	-47.67	305.63	-1.04	-48.71
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@H]1C(N)=O	REAL250005063806	0	36	-1.0	-53.74	318.98	-3.81	-57.55
CC[C@@H](C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005063807	0	43	0.0	-59.54	338.71	0.45	-59.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CCC1	REAL250005063808	0	38	-1.0	-44.38	319.99	0.59	-43.79
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005063809	0	34	-1.0	-55.24	307.73	0.58	-54.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NNC=N1	REAL250005063810	0	34	-1.0	-53.39	307.33	-1.43	-54.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NN=CN1	REAL250005063810	1	34	-1.0	-58.84	305.95	-0.89	-59.73
CC(C)C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063811	0	40	-1.0	-44.18	326.28	0.62	-43.56
CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063812	0	38	-1.0	-45.02	326.01	0.93	-44.09
CC(C)CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063813	0	43	-1.0	-45.01	354.77	1.56	-43.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CC2	REAL250005063814	0	36	-1.0	-45.26	315.67	0.97	-44.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CNC=N1	REAL250005063815	0	35	-1.0	-53.81	311.24	-0.61	-54.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CN=CN1	REAL250005063815	1	35	-1.0	-52.43	312.10	-0.81	-53.24
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC(=O)N1	REAL250005063816	0	33	-1.0	-51.99	297.17	-4.92	-56.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCCC1	REAL250005063817	0	39	-1.0	-45.03	324.08	1.26	-43.77
CC(=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005063818	0	41	-1.0	-44.21	340.26	1.29	-42.92
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC(=O)N1	REAL250005063819	0	33	-1.0	-52.70	297.17	-4.92	-57.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005063820	0	34	-1.0	-55.24	307.73	0.58	-54.66
COC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063821	0	36	-1.0	-46.92	312.15	-0.92	-47.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CSC1	REAL250005063822	0	33	-1.0	-45.47	299.32	-0.34	-45.81
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCCC1	REAL250005063823	0	39	-1.0	-46.75	324.00	-2.41	-49.16
C=CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063824	0	32	-1.0	-45.55	285.62	-0.73	-46.28
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005063825	0	37	0.0	-63.83	308.30	-0.55	-64.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005063825	1	36	-1.0	-45.56	306.21	-2.93	-48.49
C=CC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063826	0	33	-1.0	-46.02	296.71	-2.88	-48.90
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCN=[N+]=[N-]	REAL250005063827	0	36	-1.0	-47.08	324.33	-3.85	-50.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1OCC1(C)C	REAL250005063828	0	39	-1.0	-47.28	326.81	-0.36	-47.64
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005063829	0	40	-1.0	-46.57	332.62	-2.54	-49.11
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005063829	1	41	0.0	-60.36	336.50	0.52	-59.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(F)F	REAL250005063830	0	32	-1.0	-47.02	294.72	-0.30	-47.32
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CNN=C1	REAL250005063831	0	35	-1.0	-50.33	312.57	-1.81	-52.14
CC(C)NC(=O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063832	0	38	-1.0	-46.12	332.10	-2.77	-48.89
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005063833	0	37	-1.0	-45.10	316.31	-0.60	-45.70
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCCC1	REAL250005063834	0	39	-1.0	-45.14	328.13	1.34	-43.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)C1CC1	REAL250005063835	0	41	0.0	-60.77	337.70	0.86	-59.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)C1CC1	REAL250005063835	1	41	0.0	-61.21	337.70	0.86	-60.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C1CC1	REAL250005063835	1	40	-1.0	-45.70	331.58	-1.54	-47.24
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)COC1	REAL250005063836	0	37	-1.0	-46.40	316.29	-4.88	-51.28
CC(C)=CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063837	0	41	-1.0	-45.02	345.18	1.43	-43.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005063838	0	33	-1.0	-45.72	290.06	-2.77	-48.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(C)O1	REAL250005063839	0	39	-1.0	-47.89	329.99	0.02	-47.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(CO)CC1	REAL250005063840	0	39	-1.0	-45.81	334.27	-2.59	-48.40
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C[NH+](C)C1	REAL250005063841	0	41	0.0	-63.64	339.74	0.27	-63.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(O)C1	REAL250005063842	0	39	-1.0	-44.85	331.50	-2.77	-47.62
CO[C@H](C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063843	0	35	-1.0	-47.85	305.22	-1.20	-49.05
CC1=NNC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005063844	0	34	-1.0	-45.86	307.72	-1.95	-47.81
CC1=NN=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005063844	1	34	-1.0	-49.82	307.92	-1.70	-51.52
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC(=O)N1	REAL250005063845	0	32	-1.0	-51.09	295.85	-3.88	-54.97
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC(=O)[N-]1	REAL250005063845	1	31	-2.0	-92.21	293.72	-5.55	-97.76
CC=CC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063846	0	36	-1.0	-44.94	315.77	-1.84	-46.78
CCCC[C@H](C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063847	0	43	-1.0	-44.55	353.38	1.59	-42.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005063848	0	40	0.0	-60.51	326.47	-0.15	-60.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005063848	1	39	-1.0	-45.52	318.68	-2.49	-48.01
CCC=C(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063849	0	35	-1.0	-44.14	311.55	0.16	-43.98
CCC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063850	0	35	-1.0	-45.28	307.37	0.12	-45.16
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(=O)N1	REAL250005063852	0	36	-1.0	-51.51	315.01	-3.37	-54.88
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CO	REAL250005063853	0	38	-1.0	-45.31	320.49	-3.24	-48.55
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1C	REAL250005063854	0	35	-1.0	-48.33	309.42	-0.49	-48.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(O)C1CC1	REAL250005063855	0	39	-1.0	-47.51	332.10	-1.15	-48.66
CC(=CC1CC1)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063856	0	39	-1.0	-45.22	331.94	1.57	-43.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC=CO1	REAL250005063857	0	37	-1.0	-47.16	318.20	0.38	-46.78
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CSC1	REAL250005063858	0	36	-1.0	-47.70	320.40	0.41	-47.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCC1	REAL250005063859	0	35	-1.0	-43.18	305.47	0.06	-43.12
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(N)=O	REAL250005063860	0	33	-1.0	-49.32	302.67	-4.63	-53.95
C#CCSCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063861	0	34	-1.0	-49.18	323.01	0.57	-48.61
CC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063862	0	32	-1.0	-48.87	283.85	-3.42	-52.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCC1	REAL250005063863	0	36	-1.0	-46.31	307.54	-3.04	-49.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CC1	REAL250005063864	0	36	-1.0	-44.97	315.49	-1.86	-46.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NN=C1	REAL250005063865	0	34	-1.0	-55.43	308.21	1.50	-53.93
C=CCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063866	0	38	-1.0	-44.78	324.88	0.64	-44.14
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005063867	0	32	-1.0	-45.57	290.02	-0.41	-45.98
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005063868	0	40	0.0	-60.51	326.47	-0.15	-60.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005063868	1	39	-1.0	-45.52	318.68	-2.49	-48.01
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005063869	0	31	-1.0	-44.95	279.30	-1.13	-46.08
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=CN=N1	REAL250005063870	0	34	-1.0	-57.93	306.82	-2.15	-60.08
C=CC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005063871	0	39	-1.0	-44.47	323.11	1.58	-42.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)COC1	REAL250005063872	0	34	-1.0	-47.36	298.30	-5.28	-52.64
CCC(C)C(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063873	0	41	-1.0	-45.78	336.54	-2.12	-47.90
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005063874	0	36	-1.0	-45.94	315.49	0.98	-44.96
CCC1CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063875	0	38	-1.0	-44.49	320.54	0.95	-43.54
CC(O)CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063876	0	41	-1.0	-48.19	347.55	-2.24	-50.43
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC1	REAL250005063877	0	36	-1.0	-48.49	314.66	-3.25	-51.74
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005063878	0	32	-1.0	-47.48	292.46	-0.53	-48.01
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)CC1CC1	REAL250005063879	0	38	-1.0	-44.99	332.39	1.10	-43.89
CCC(CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)OC	REAL250005063880	0	41	-1.0	-45.24	341.30	-0.02	-45.26
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(Cl)CC1	REAL250005063881	0	33	-1.0	-47.11	310.77	0.58	-46.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](F)C2	REAL250005063882	0	36	-1.0	-48.24	318.29	0.80	-47.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCOC1	REAL250005063883	0	37	-1.0	-46.89	315.42	-1.10	-47.99
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C(C)(C)C	REAL250005063884	0	41	-1.0	-45.75	333.87	-2.24	-47.99
C#CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063885	0	33	-1.0	-45.65	299.99	0.01	-45.64
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1	REAL250005063886	0	37	-1.0	-46.84	314.07	-3.34	-50.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005063886	1	38	0.0	-63.52	318.39	-0.13	-63.65
CC(C)C(O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063887	0	41	-1.0	-47.33	341.55	-1.63	-48.96
CCCC(C)(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063888	0	41	-1.0	-43.91	341.51	-2.39	-46.30
CCOC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063889	0	41	-1.0	-47.83	339.01	0.21	-47.62
C#C[C@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063890	0	34	-1.0	-47.54	306.09	0.67	-46.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(N=[N+]=[N-])CC1	REAL250005063891	0	34	-1.0	-44.96	306.44	-3.41	-48.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC(=O)O1	REAL250005063892	0	32	-1.0	-50.81	297.01	-3.69	-54.50
CC(C)[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063893	0	41	-1.0	-45.02	345.07	1.49	-43.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCC21	REAL250005063894	0	36	-1.0	-44.95	305.92	0.84	-44.11
C=C1CCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063895	0	36	-1.0	-45.05	312.95	0.51	-44.54
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005063896	0	38	-1.0	-44.14	313.39	0.68	-43.46
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005063897	0	40	0.0	-62.72	326.43	-0.13	-62.85
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)N(C)C	REAL250005063897	1	39	-1.0	-44.96	317.90	-2.58	-47.54
CC=CC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063898	0	36	-1.0	-45.49	321.45	0.77	-44.72
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=NN1C	REAL250005063899	0	34	-1.0	-46.35	304.18	-0.52	-46.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC[C@@H](O)C1	REAL250005063900	0	39	-1.0	-47.17	326.93	-2.76	-49.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC=CCC1	REAL250005063901	0	39	-1.0	-44.72	326.25	1.19	-43.53
COCC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063902	0	36	-1.0	-47.39	319.64	-1.60	-48.99
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CC(C)C1	REAL250005063903	0	40	-1.0	-46.47	336.20	-2.34	-48.81
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CC(C)C1	REAL250005063903	1	41	0.0	-63.08	338.38	0.61	-62.47
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)COC1	REAL250005063904	0	36	-1.0	-45.03	308.40	-2.15	-47.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCCO1	REAL250005063905	0	37	-1.0	-45.11	317.10	-0.54	-45.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCS1	REAL250005063906	0	34	-1.0	-46.77	309.81	0.27	-46.50
CC1=NOC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005063907	0	36	-1.0	-53.96	318.08	-0.63	-54.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)NC1CC1	REAL250005063908	0	36	-1.0	-46.07	321.58	-2.72	-48.79
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCSC1	REAL250005063909	0	36	-1.0	-45.02	315.25	0.36	-44.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005063910	0	33	-1.0	-49.21	291.18	-1.65	-50.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCN=[N+]=[N-]	REAL250005063911	0	33	-1.0	-45.13	302.85	-4.66	-49.79
C#CCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063912	0	34	-1.0	-50.71	313.07	-0.41	-51.12
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NN=CO1	REAL250005063913	0	33	-1.0	-52.99	302.84	-6.11	-59.10
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCS1	REAL250005063914	0	36	-1.0	-48.10	317.29	0.35	-47.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005063915	0	35	-1.0	-44.72	303.19	-3.85	-48.57
CC1=CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063916	0	33	-1.0	-45.76	298.27	0.20	-45.56
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)N(C)C	REAL250005063917	0	35	-1.0	-46.18	305.20	-2.42	-48.60
CSC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063918	0	33	-1.0	-45.48	308.33	-0.34	-45.82
CCC(C)(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063919	0	38	-1.0	-44.57	319.81	-3.18	-47.75
CC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063920	0	40	0.0	-62.94	326.03	0.13	-62.81
CC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063920	1	40	0.0	-62.85	326.03	0.12	-62.73
CCN(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063920	1	39	-1.0	-45.40	324.18	-2.14	-47.54
CCC=CC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063921	0	39	-1.0	-45.42	342.54	1.53	-43.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)N[N-]1	REAL250005063922	0	32	-2.0	-90.02	298.55	-4.57	-94.59
CC1=CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005063923	0	36	-1.0	-49.72	317.25	-0.53	-50.25
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005063924	0	39	-1.0	-44.82	326.27	1.30	-43.52
C=C1CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005063925	0	36	-1.0	-44.86	312.99	0.52	-44.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(O)C1CC1	REAL250005063926	0	39	-1.0	-44.65	328.48	-2.54	-47.19
CC1=NC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005063927	0	34	-1.0	-46.54	309.10	-3.50	-50.04
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1F	REAL250005063928	0	35	-1.0	-47.12	305.23	0.05	-47.07
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1	REAL250005063929	0	32	-1.0	-48.78	290.03	-1.42	-50.20
CC1=NOC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005063930	0	33	-1.0	-47.58	303.64	-3.48	-51.06
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CC2C1	REAL250005063931	0	39	-1.0	-45.00	326.03	1.32	-43.68
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCSC1	REAL250005063932	0	34	-1.0	-46.49	308.33	0.32	-46.17
CCCC(O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063933	0	41	-1.0	-47.49	346.38	-1.36	-48.85
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(Cl)CC1	REAL250005063934	0	32	-1.0	-44.78	298.99	0.03	-44.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCO1	REAL250005063935	0	34	-1.0	-45.74	300.80	-1.38	-47.12
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC[NH+](C)C	REAL250005063936	0	41	0.0	-66.51	344.26	0.68	-65.83
CCC[C@H](O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063937	0	38	-1.0	-46.01	325.49	-1.79	-47.80
CCC(C)(OC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063938	0	41	-1.0	-43.90	335.03	-0.83	-44.73
CC(C)[C@H](O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063939	0	38	-1.0	-45.94	320.27	-1.87	-47.81
CC(C)C(CO)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063940	0	41	-1.0	-45.44	334.63	-2.26	-47.70
CCOC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063941	0	36	-1.0	-45.90	319.35	-1.01	-46.91
CCN1CCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063942	0	40	-1.0	-46.96	336.15	-2.59	-49.55
CC[N@@H+]1CCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063942	1	41	0.0	-62.06	339.93	0.42	-61.64
CC[N@H+]1CCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063942	1	41	0.0	-61.72	339.96	0.47	-61.25
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1O	REAL250005063943	0	39	-1.0	-46.61	325.96	-2.63	-49.24
C[C@@H](O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063944	0	32	-1.0	-48.88	283.85	-3.42	-52.30
CCC(C)=C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063945	0	41	-1.0	-44.42	336.50	1.41	-43.01
COC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005063946	0	39	-1.0	-44.17	327.62	-1.12	-45.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)(C)O	REAL250005063947	0	41	-1.0	-45.40	342.60	-2.48	-47.88
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSN=C1	REAL250005063948	0	31	-1.0	-46.24	294.00	-1.32	-47.56
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(C)C1	REAL250005063949	0	41	-1.0	-44.56	337.42	1.16	-43.40
CNC(=O)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063950	0	38	-1.0	-49.07	332.32	-2.96	-52.03
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCF	REAL250005063951	0	37	-1.0	-45.75	322.30	0.41	-45.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005063952	0	33	-1.0	-48.59	297.38	-4.01	-52.60
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CN=CO1	REAL250005063953	0	34	-1.0	-50.92	308.14	-3.44	-54.36
COC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063954	0	38	-1.0	-47.81	317.16	-0.71	-48.52
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)[NH+](C)C	REAL250005063955	0	43	0.0	-64.68	335.76	0.62	-64.06
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)(F)CO	REAL250005063956	0	32	-1.0	-45.92	294.08	-3.06	-48.98
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCO	REAL250005063957	0	38	-1.0	-46.78	327.13	-3.07	-49.85
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005063958	0	34	-1.0	-46.30	305.05	-0.72	-47.02
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CNC(=O)C1	REAL250005063959	0	36	-1.0	-48.83	313.25	-3.70	-52.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CNC(=O)N1	REAL250005063960	0	35	-1.0	-54.09	308.91	-5.82	-59.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CS1	REAL250005063961	0	31	-1.0	-46.20	295.26	-1.81	-48.01
CC1=CC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005063962	0	36	-1.0	-46.90	317.12	-0.60	-47.50
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CC1	REAL250005063963	0	36	-1.0	-48.61	316.84	-3.37	-51.98
COC1(CC(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063964	0	39	-1.0	-47.56	333.96	-0.99	-48.55
CC[C@H](C)[C@H](O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063965	0	41	-1.0	-45.80	338.45	-1.25	-47.05
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](O)C2	REAL250005063966	0	37	-1.0	-48.54	323.08	-2.69	-51.23
COC(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063967	0	32	-1.0	-47.94	291.33	-2.42	-50.36
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC1CC2	REAL250005063968	0	36	-1.0	-45.33	311.66	0.71	-44.62
CCCC(C)=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063969	0	41	-1.0	-44.34	345.21	1.60	-42.74
C=C[C@H](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063970	0	38	-1.0	-44.79	323.72	0.62	-44.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CC1	REAL250005063971	0	36	-1.0	-45.23	318.25	0.93	-44.30
CC=C(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063972	0	38	-1.0	-44.96	322.06	0.75	-44.21
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC12CC(C1)C2	REAL250005063973	0	39	-1.0	-45.47	326.48	1.43	-44.04
CCC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005063974	0	41	-1.0	-47.13	338.76	-2.14	-49.27
C=CC(C)(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063975	0	36	-1.0	-45.01	313.37	-3.11	-48.12
CCC(C)(CO)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063976	0	41	-1.0	-47.50	335.28	-2.80	-50.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CC1	REAL250005063977	0	41	0.0	-64.43	331.36	0.66	-63.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(N(C)C)CC1	REAL250005063977	1	40	-1.0	-44.19	334.76	-1.63	-45.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)CO2	REAL250005063978	0	37	-1.0	-44.73	316.31	-1.29	-46.02
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)C(C)(C)O	REAL250005063979	0	41	-1.0	-46.76	332.52	-1.47	-48.23
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)OC2	REAL250005063980	0	37	-1.0	-46.55	317.08	-1.50	-48.05
CC(O)C1CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063981	0	39	-1.0	-46.35	336.98	-2.39	-48.74
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](C)C2	REAL250005063982	0	39	-1.0	-45.14	332.64	1.35	-43.79
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005063983	0	34	-1.0	-55.24	307.73	0.58	-54.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1(C)CC1	REAL250005063984	0	37	-1.0	-46.80	332.72	1.45	-45.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005063985	0	33	-1.0	-45.78	293.18	0.02	-45.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(F)O1	REAL250005063986	0	32	-1.0	-44.82	298.75	-0.83	-45.65
CON=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063987	0	32	-1.0	-48.29	295.17	-2.68	-50.97
C#CCC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063988	0	39	-1.0	-44.91	334.60	1.04	-43.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C(N)=O	REAL250005063989	0	37	-1.0	-55.65	323.04	-3.77	-59.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(=O)N[N-]1	REAL250005063990	0	31	-2.0	-91.72	293.14	-5.87	-97.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005063991	0	32	-1.0	-45.23	289.61	-0.44	-45.67
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COCCO	REAL250005063992	0	36	-1.0	-50.88	318.66	-4.08	-54.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CF	REAL250005063993	0	37	-1.0	-44.06	316.14	0.05	-44.01
CC(C)[C@@H](O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063994	0	41	-1.0	-47.33	341.56	-1.63	-48.96
CSC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005063995	0	36	-1.0	-43.91	327.83	0.48	-43.43
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOCC1	REAL250005063996	0	33	-1.0	-46.47	296.75	-2.40	-48.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CCO)CC1	REAL250005063997	0	39	-1.0	-46.20	331.11	-2.53	-48.73
CC(C)C(C)(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063998	0	41	-1.0	-44.38	334.75	-2.41	-46.79
CC(C[NH+](C)C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005063999	0	43	0.0	-64.86	346.70	0.72	-64.14
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN=CS1	REAL250005064000	0	30	-1.0	-48.06	291.28	-2.91	-50.97
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)C1CCC1	REAL250005064001	0	38	-1.0	-46.57	324.76	0.77	-45.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(C)O1	REAL250005064002	0	39	-1.0	-45.89	324.34	-0.56	-46.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC(C)C1	REAL250005064003	0	36	-1.0	-46.28	317.84	-1.64	-47.92
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(F)C1	REAL250005064004	0	38	-1.0	-45.29	326.87	0.70	-44.59
COCC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064005	0	36	-1.0	-45.50	316.85	-4.09	-49.59
C#CC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064006	0	36	-1.0	-47.18	316.96	0.41	-46.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CNC(=O)N1	REAL250005064007	0	35	-1.0	-52.92	308.91	-5.83	-58.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1C	REAL250005064008	0	40	-1.0	-46.27	336.53	-2.35	-48.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CCC1C	REAL250005064008	1	41	0.0	-61.33	339.63	0.53	-60.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CCC1C	REAL250005064008	1	41	0.0	-62.37	339.62	0.54	-61.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC1	REAL250005064009	0	36	-1.0	-48.67	317.66	-0.16	-48.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1	REAL250005064010	0	32	-1.0	-48.09	291.16	-2.23	-50.32
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CCC1	REAL250005064011	0	39	-1.0	-45.08	334.69	1.46	-43.62
CCCC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064012	0	38	-1.0	-45.14	328.87	0.90	-44.24
CC=C(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064013	0	32	-1.0	-44.23	291.25	-0.58	-44.81
CCC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005064014	0	43	-1.0	-44.83	349.32	1.18	-43.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)=C1CCC1	REAL250005064015	0	36	-1.0	-44.91	317.49	0.82	-44.09
CCC(CO)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064016	0	38	-1.0	-45.87	318.74	-2.85	-48.72
CC(CO)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064017	0	35	-1.0	-45.41	302.84	-3.89	-49.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CON=C1	REAL250005064018	0	31	-1.0	-46.84	286.43	-1.55	-48.39
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CF	REAL250005064019	0	35	-1.0	-46.87	311.20	0.30	-46.57
C#CC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064020	0	34	-1.0	-44.56	308.92	0.58	-43.98
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCC1	REAL250005064021	0	34	-1.0	-45.64	299.41	-1.41	-47.05
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005064022	0	32	-1.0	-46.57	283.51	-3.40	-49.97
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=NN1	REAL250005064023	0	32	-1.0	-46.44	297.03	-2.67	-49.11
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=CCC1	REAL250005064024	0	36	-1.0	-44.92	308.35	0.51	-44.41
CC(O)C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064025	0	38	-1.0	-44.80	319.12	-3.14	-47.94
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCOC1	REAL250005064026	0	37	-1.0	-46.98	314.88	-4.99	-51.97
C=C1CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064027	0	33	-1.0	-45.49	296.78	0.07	-45.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC=CC1	REAL250005064028	0	39	-1.0	-45.53	328.75	1.25	-44.28
CC(CF)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064029	0	34	-1.0	-44.38	298.05	-0.48	-44.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(C)(C)C1	REAL250005064030	0	39	-1.0	-45.32	335.51	1.23	-44.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC1(F)F	REAL250005064031	0	32	-1.0	-48.62	294.71	-0.31	-48.93
CC(=O)NCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064032	0	38	-1.0	-54.00	333.52	-2.96	-56.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC(=O)N1	REAL250005064033	0	33	-1.0	-50.78	299.98	-4.22	-55.00
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1C	REAL250005064034	0	41	-1.0	-44.74	335.98	1.23	-43.51
C=C(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064035	0	35	-1.0	-45.18	307.23	-0.08	-45.26
CCSCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064036	0	35	-1.0	-47.14	317.24	0.05	-47.09
CC(C)=C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064037	0	38	-1.0	-44.56	315.87	0.72	-43.84
CCCC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064038	0	38	-1.0	-45.11	325.49	-1.79	-46.90
CCCCC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064039	0	41	-1.0	-45.17	346.99	-1.01	-46.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1CC1	REAL250005064040	0	36	-1.0	-46.92	327.83	0.88	-46.04
CCC(O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064041	0	38	-1.0	-47.59	324.88	-2.14	-49.73
CC(Cl)=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064042	0	32	-1.0	-46.22	298.60	-0.14	-46.36
CC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064043	0	32	-1.0	-45.40	286.28	-0.64	-46.04
CCC(F)(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064044	0	34	-1.0	-43.39	304.46	-0.36	-43.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1F	REAL250005064045	0	35	-1.0	-48.17	305.67	0.22	-47.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005064046	0	36	-1.0	-47.92	310.88	-3.41	-51.33
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1(C)C	REAL250005064047	0	41	-1.0	-45.29	343.67	1.41	-43.88
CC(NC(N)=O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064048	0	37	-1.0	-48.43	323.86	-5.51	-53.94
C=C(C)CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064049	0	41	-1.0	-45.38	349.87	1.49	-43.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(F)C1	REAL250005064050	0	38	-1.0	-46.00	323.10	0.62	-45.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005064051	0	35	-1.0	-45.10	304.61	0.17	-44.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250005064052	0	39	-1.0	-45.06	325.90	1.26	-43.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1COC1	REAL250005064053	0	37	-1.0	-48.93	325.09	-2.37	-51.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@]12C[C@@H]1[C@H](C)C2	REAL250005064054	0	39	-1.0	-44.98	331.35	1.31	-43.67
CNC(=O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064055	0	35	-1.0	-55.25	308.80	-2.24	-57.49
C=CC=CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064056	0	36	-1.0	-46.04	320.87	0.70	-45.34
C#CC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005064057	0	37	-1.0	-44.38	324.84	1.01	-43.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL250005064058	0	41	0.0	-59.89	328.30	0.01	-59.88
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL250005064058	1	41	0.0	-60.16	334.10	0.49	-59.67
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCN1C	REAL250005064058	1	40	-1.0	-46.21	333.54	-1.96	-48.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CCO1	REAL250005064059	0	37	-1.0	-47.96	318.79	-0.04	-48.00
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCOC1CC1	REAL250005064060	0	39	-1.0	-45.70	338.60	-0.46	-46.16
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCCO	REAL250005064061	0	41	-1.0	-47.88	348.63	-2.29	-50.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=N1	REAL250005064062	0	31	-1.0	-46.97	295.34	-1.96	-48.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CCC1	REAL250005064063	0	39	-1.0	-46.50	325.32	-2.14	-48.64
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(N)=O	REAL250005064064	0	35	-1.0	-48.82	310.39	-4.44	-53.26
C=CCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064065	0	39	-1.0	-45.09	339.39	1.27	-43.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC(F)F	REAL250005064066	0	32	-1.0	-48.08	297.03	-1.55	-49.63
COC(C)(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064067	0	41	-1.0	-47.18	335.25	-0.02	-47.20
CC(O)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064068	0	38	-1.0	-45.51	326.01	-3.01	-48.52
C#CCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064069	0	36	-1.0	-45.07	317.86	0.58	-44.49
CC(CCO)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064070	0	38	-1.0	-48.03	321.80	-3.31	-51.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)=CC1CC1	REAL250005064071	0	36	-1.0	-44.21	322.80	0.98	-43.23
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC(F)C1	REAL250005064072	0	38	-1.0	-46.25	327.26	0.88	-45.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)CF	REAL250005064073	0	32	-1.0	-46.48	289.81	-3.23	-49.71
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN=CN1C	REAL250005064074	0	34	-1.0	-50.78	304.57	0.14	-50.64
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005064075	0	33	-1.0	-45.92	291.55	-3.57	-49.49
C[C@H](CNC(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064076	0	35	-1.0	-44.18	303.64	0.30	-43.88
C[C@H](CNC(=O)C(C)(C)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064077	0	34	-1.0	-43.52	299.53	-0.60	-44.12
C[C@H](CNC(=O)C(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064078	0	31	-1.0	-44.21	284.56	-1.07	-45.28
COCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064079	0	32	-1.0	-46.86	285.43	-1.89	-48.75
C[C@H](CNC(=O)C1=CC=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064080	0	34	-1.0	-47.26	305.31	-0.65	-47.91
C[C@H](CNC(=O)C1=CC=NC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064081	0	34	-1.0	-45.28	303.28	-0.71	-45.99
CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064082	0	34	-1.0	-44.07	294.21	-0.49	-44.56
C[C@H](CNC(=O)C1=CC=CN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064083	0	34	-1.0	-46.99	303.08	-0.72	-47.71
C[C@H](CNC(=O)C1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064084	0	32	-1.0	-46.01	292.33	-0.94	-46.95
CC(=O)NCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064085	0	35	-1.0	-48.56	311.37	-3.57	-52.13
C[C@H](CNC(=O)C1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064086	0	35	-1.0	-45.12	308.10	1.05	-44.07
CC(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064087	0	37	-1.0	-43.65	310.93	0.10	-43.55
C[C@H](CNC(=O)C1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064088	0	41	-1.0	-43.49	333.89	1.30	-42.19
C[C@H](CNC(=O)C1=CN=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064089	0	33	-1.0	-46.52	300.10	-2.54	-49.06
C[C@H](CNC(=O)CC1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064090	0	41	-1.0	-43.78	335.90	1.36	-42.42
C[C@H](CNC(=O)C1=CC=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064091	0	32	-1.0	-44.69	300.24	0.04	-44.65
C[C@H](CNC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064092	0	35	-1.0	-43.70	299.15	0.24	-43.46
CCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064093	0	35	-1.0	-46.78	307.28	-0.93	-47.71
CC(C)=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064094	0	35	-1.0	-44.00	301.85	0.05	-43.95
C[C@H](CNC(=O)C1=COCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064095	0	35	-1.0	-48.47	306.25	-1.31	-49.78
CC(=O)NC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064096	0	38	-1.0	-47.67	330.65	-2.75	-50.42
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL250005064097	0	35	-1.0	-45.96	314.24	-0.12	-46.08
C[C@H](CNC(=O)C1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064098	0	36	-1.0	-46.41	308.73	-0.68	-47.09
CSCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064099	0	32	-1.0	-45.92	295.77	-0.83	-46.75
CC1=CC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005064100	0	34	-1.0	-47.71	308.74	-0.87	-48.58
CSCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064101	0	35	-1.0	-44.52	317.44	-0.01	-44.53
CC(C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064102	0	40	-1.0	-43.87	333.27	0.80	-43.07
C[C@H](CNC(=O)C1=CSC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064103	0	32	-1.0	-44.84	299.44	-0.04	-44.88
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005064104	0	35	-1.0	-45.25	309.76	-0.17	-45.42
C[C@H](CNC(=O)CC1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064105	0	39	-1.0	-44.17	328.07	1.29	-42.88
C[C@H](CNC(=O)CN1C=NN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064106	0	33	-1.0	-56.81	301.52	-1.70	-58.51
C[C@H](CNC(=O)C1=CN(C)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064107	0	35	-1.0	-48.56	313.14	-1.21	-49.77
C[C@H](CNC(=O)C1CC=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064108	0	39	-1.0	-43.76	326.26	1.20	-42.56
CC1=NOC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005064109	0	34	-1.0	-46.90	308.77	-0.92	-47.82
C[C@H](CNC(=O)C1=CC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064110	0	33	-1.0	-45.73	295.21	-1.15	-46.88
CC(=O)CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064111	0	39	-1.0	-50.72	338.79	0.21	-50.51
C[C@H](CNC(=O)C1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064112	0	32	-1.0	-46.86	291.49	-0.98	-47.84
C[C@H](CNC(=O)CN1C=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064113	0	35	-1.0	-51.32	312.95	-0.83	-52.15
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005064114	0	35	-1.0	-46.03	310.22	-0.26	-46.29
CCCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064115	0	40	-1.0	-43.97	337.20	1.07	-42.90
C[C@H](CNC(=O)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064116	0	40	-1.0	-43.06	325.90	0.63	-42.43
C[C@H](CNC(=O)C1=CC=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064117	0	36	-1.0	-46.44	313.59	0.48	-45.96
CCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064118	0	37	-1.0	-44.03	315.70	0.29	-43.74
CC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064119	0	34	-1.0	-43.85	292.26	-0.60	-44.45
CCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064120	0	37	-1.0	-43.68	310.39	0.05	-43.63
C[C@H](CNC(=O)CSCC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064121	0	33	-1.0	-51.20	316.59	-0.19	-51.39
CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064122	0	38	-1.0	-50.79	328.78	-1.28	-52.07
CCC(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064123	0	40	-1.0	-43.52	326.23	0.54	-42.98
CC(C)OCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064124	0	41	-1.0	-44.69	348.51	-0.47	-45.16
C[C@H](CNC(=O)C1COCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064125	0	37	-1.0	-47.28	317.65	-1.88	-49.16
C[C@H](CNC(=O)C1=CC=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064126	0	32	-1.0	-45.91	289.92	-2.48	-48.39
CSC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064127	0	35	-1.0	-45.74	314.22	-0.26	-46.00
CCOC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064128	0	38	-1.0	-46.29	327.07	-0.24	-46.53
CCOCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064129	0	41	-1.0	-45.99	349.73	-0.45	-46.44
C[C@H](CNC(=O)COCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064130	0	39	-1.0	-46.91	338.96	0.66	-46.25
C[C@H](CNC(=O)CC1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064131	0	39	-1.0	-46.71	328.81	-0.22	-46.93
C[C@H](CNC(=O)C1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064132	0	32	-1.0	-47.63	290.20	-2.51	-50.14
COCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064133	0	38	-1.0	-46.06	327.88	-1.42	-47.48
CCOC1CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064134	0	39	-1.0	-44.45	338.79	-0.59	-45.04
C[C@H](CNC(=O)C1=NSN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064135	0	30	-1.0	-44.78	289.05	-2.99	-47.77
C[C@H](CNC(=O)C1=CN=NS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064136	0	30	-1.0	-45.12	290.38	-2.35	-47.47
C[C@H](CNC(=O)C1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064137	0	31	-1.0	-48.40	286.80	-1.70	-50.10
CC(=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005064138	0	39	-1.0	-43.88	330.29	1.50	-42.38
CC1=NNC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005064139	0	35	-1.0	-46.15	311.85	-1.90	-48.05
C[C@H](CNC(=O)C1=CN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064140	0	31	-1.0	-45.07	295.26	-1.80	-46.87
CCC=C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064141	0	38	-1.0	-44.20	321.41	0.80	-43.40
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005064142	0	34	-1.0	-47.45	306.68	-3.50	-50.95
CCOC(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064143	0	41	-1.0	-45.91	343.42	0.44	-45.47
C[C@H](CNC(=O)CC(F)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064144	0	31	-1.0	-46.49	290.12	-0.84	-47.33
COC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064145	0	35	-1.0	-46.28	305.21	-1.19	-47.47
CC(C)OCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064146	0	38	-1.0	-46.60	327.56	-0.20	-46.80
CCCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064147	0	38	-1.0	-46.61	328.78	-0.13	-46.74
C[C@H](CNC(=O)C1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064148	0	36	-1.0	-44.81	307.50	-1.94	-46.75
C[C@H](CNC(=O)C1=CC=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064149	0	35	-1.0	-45.77	308.56	-1.21	-46.98
CCC(OC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064150	0	38	-1.0	-45.59	326.17	-0.34	-45.93
COCCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064151	0	41	-1.0	-45.22	349.38	-0.64	-45.86
CCCC(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064152	0	43	-1.0	-43.54	350.66	1.52	-42.02
COC(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064153	0	38	-1.0	-45.14	325.52	-0.64	-45.78
C=CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064154	0	35	-1.0	-44.11	307.02	0.07	-44.04
C[C@H](CNC(=O)C1=COCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064155	0	37	-1.0	-44.55	314.29	-0.65	-45.20
C[C@H](CNC(=O)C1CCCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064156	0	39	-1.0	-44.67	324.92	-1.10	-45.77
CCOCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064157	0	38	-1.0	-44.72	328.24	-1.21	-45.93
C[C@H](CNC(=O)C1=CSC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064158	0	31	-1.0	-47.13	295.35	-1.95	-49.08
COCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064159	0	38	-1.0	-44.07	325.10	-1.48	-45.55
C=CCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064160	0	36	-1.0	-47.01	320.19	-0.36	-47.37
C[C@H](CNC(=O)C1=COC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064161	0	31	-1.0	-47.72	287.11	-4.35	-52.07
C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064162	0	36	-1.0	-49.37	315.01	-3.35	-52.72
CC1=NC=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005064163	0	35	-1.0	-46.21	312.01	-1.56	-47.77
C[C@H](CNC(=O)C1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064164	0	41	0.0	-59.98	328.32	0.01	-59.97
C[C@H](CNC(=O)C1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064164	1	41	0.0	-61.80	328.29	0.02	-61.78
C[C@H](CNC(=O)C1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064164	1	40	-1.0	-44.92	333.66	-1.70	-46.62
CCC(=O)NCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064165	0	38	-1.0	-48.22	331.68	-2.76	-50.98
C[C@H](CNC(=O)C=CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064166	0	41	-1.0	-44.12	344.21	1.14	-42.98
CC(C#N)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064167	0	32	-1.0	-49.04	291.68	-0.98	-50.02
CCCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064168	0	40	-1.0	-43.65	331.88	0.80	-42.85
C[C@H](CNC(=O)C(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064169	0	39	-1.0	-44.88	330.03	-0.18	-45.06
C[C@H](CNC(=O)CCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064170	0	38	-1.0	-43.99	325.82	1.09	-42.90
CCCCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064171	0	41	-1.0	-46.51	350.28	0.65	-45.86
C[C@H](CNC(=O)CC1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064172	0	34	-1.0	-50.97	306.94	-0.91	-51.88
C[C@H](CNC(=O)CC1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064173	0	39	-1.0	-44.99	326.92	-1.20	-46.19
C[C@H](CNC(=O)C1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064174	0	36	-1.0	-43.96	308.24	0.52	-43.44
C[C@H](CNC(=O)CC1=NNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064175	0	35	-1.0	-50.77	311.78	-1.82	-52.59
C[C@H](CNC(=O)CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064176	0	38	-1.0	-44.00	320.61	0.80	-43.20
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005064177	0	34	-1.0	-46.43	305.06	-3.63	-50.06
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005064178	0	38	-1.0	-43.90	321.57	0.87	-43.03
C[C@H](CNC(=O)C1C2CCCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005064179	0	39	-1.0	-43.58	321.21	1.57	-42.01
C[C@H](CNC(=O)CCC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064180	0	41	-1.0	-43.85	342.44	1.59	-42.26
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C=CN1	REAL250005064181	0	36	-1.0	-46.98	313.55	-0.51	-47.49
CC=C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064182	0	35	-1.0	-44.39	301.02	0.02	-44.37
C[C@H](CNC(=O)C1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064183	0	38	-1.0	-43.64	319.17	0.63	-43.01
C[C@H](CNC(=O)C=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064184	0	36	-1.0	-44.82	311.87	0.74	-44.08
CCC(=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)CC	REAL250005064185	0	41	-1.0	-43.48	342.46	1.54	-41.94
CC(C)=C(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064186	0	35	-1.0	-44.34	306.32	0.08	-44.26
C[C@H](CNC(=O)C1=CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064187	0	36	-1.0	-44.38	309.30	0.62	-43.76
C[C@H](CNC(=O)C1=CN(C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064188	0	36	-1.0	-47.53	318.13	0.65	-46.88
C[C@H](CNC(=O)C1=CN(C)C=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064189	0	35	-1.0	-50.38	313.67	0.28	-50.10
C[C@H](CNC(=O)C1CCCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064190	0	39	-1.0	-46.11	326.65	0.12	-45.99
C[C@H](CNC(=O)C1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064191	0	38	-1.0	-43.56	319.83	0.74	-42.82
CCC(C)OCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064192	0	41	-1.0	-46.35	348.32	0.60	-45.75
C[C@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064193	0	38	-1.0	-43.56	319.84	0.75	-42.81
C[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064194	0	36	-1.0	-47.05	309.13	-0.67	-47.72
C#CCCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064195	0	39	-1.0	-45.34	342.98	1.59	-43.75
C[C@H](CNC(=O)COC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064196	0	41	-1.0	-46.33	341.59	0.19	-46.14
CCNC(=O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064197	0	38	-1.0	-52.88	330.28	-1.36	-54.24
COC(C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064198	0	41	-1.0	-44.53	347.42	-0.64	-45.17
C[C@H](CNC(=O)C1=CN=CN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064199	0	33	-1.0	-45.75	298.03	-0.90	-46.65
C[C@H](CNC(=O)C1=CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064200	0	37	-1.0	-44.68	315.43	-1.13	-45.81
C[C@H](CNC(=O)CC1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064201	0	35	-1.0	-46.88	313.46	-0.30	-47.18
CC1=NC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005064202	0	34	-1.0	-47.12	309.10	-3.60	-50.72
C[C@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064203	0	37	-1.0	-49.43	323.86	-5.53	-54.96
CC1=CC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005064204	0	35	-1.0	-46.80	313.40	-0.15	-46.95
CCC(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064205	0	40	-1.0	-43.62	329.16	0.76	-42.86
C#CCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064206	0	36	-1.0	-46.29	321.49	0.81	-45.48
C=CC(C)(O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064207	0	39	-1.0	-45.58	329.58	-1.43	-47.01
C[C@H](CNC(=O)CC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064208	0	38	-1.0	-46.02	319.69	-2.16	-48.18
COC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005064209	0	39	-1.0	-45.19	337.90	0.37	-44.82
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)NC=C1	REAL250005064210	0	36	-1.0	-45.57	313.18	-0.47	-46.04
C[C@H](CNC(=O)C1=CN=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064211	0	34	-1.0	-47.65	303.65	-2.59	-50.24
C[C@H](CNC(=O)C1COC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064212	0	34	-1.0	-52.01	305.13	-4.67	-56.68
CCCCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064213	0	43	-1.0	-43.50	353.38	1.58	-41.92
C[C@H](CNC(=O)C1CC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064214	0	41	-1.0	-43.52	334.39	0.94	-42.58
CC(C)[C@@H](O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064215	0	38	-1.0	-43.85	319.88	-1.83	-45.68
C[C@H](CNC(=O)C1=CN(C)N=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064216	0	34	-1.0	-51.49	309.17	-2.64	-54.13
C[C@H](CNC(=O)C1=NN(C)C=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064217	0	34	-1.0	-52.59	308.60	-0.53	-53.12
C[C@H](CNC(=O)C1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064218	0	32	-1.0	-45.29	296.22	-0.32	-45.61
CCC(C)=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064219	0	38	-1.0	-43.80	323.86	0.81	-42.99
CC(C)C#CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064220	0	36	-1.0	-45.89	322.10	0.76	-45.13
C[C@H](CNC(=O)CC1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064221	0	39	-1.0	-44.09	327.41	-1.08	-45.17
CC1=CNN=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064222	0	35	-1.0	-48.55	309.36	-1.81	-50.36
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005064223	0	39	-1.0	-44.67	329.59	1.50	-43.17
C[C@H](CNC(=O)C#CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064224	0	34	-1.0	-46.20	311.77	0.94	-45.26
C[C@H](CNC(=O)C#CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064225	0	39	-1.0	-45.76	342.24	1.30	-44.46
C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)C1=CC(=O)[N-]O1	REAL250005064226	0	34	-1.0	-47.38	312.18	-0.13	-47.51
COCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064227	0	35	-1.0	-44.73	306.38	-2.18	-46.91
C[C@H](CNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064228	0	32	-1.0	-44.31	283.23	-0.47	-44.78
C[C@H](CNC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064229	0	35	-1.0	-43.88	299.44	0.02	-43.86
C[C@H](CNC(=O)C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064230	0	38	-1.0	-43.67	315.74	0.61	-43.06
C[C@H](CNC(=O)C1CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064231	0	39	-1.0	-44.57	325.01	-1.12	-45.69
C[C@H](CNC(=O)C1=NN(C)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064232	0	34	-1.0	-46.70	308.68	-2.81	-49.51
CCC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005064233	0	43	0.0	-61.16	339.01	0.42	-60.74
C[C@H](CNC(=O)C1CC(C)CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064234	0	39	-1.0	-46.64	329.36	-0.04	-46.68
C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064235	0	39	-1.0	-44.00	327.82	1.33	-42.67
C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064236	0	36	-1.0	-50.63	315.04	-3.36	-53.99
CCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064237	0	43	0.0	-62.26	347.52	0.87	-61.39
CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064237	1	43	0.0	-62.21	347.52	0.87	-61.34
C[C@H](CNC(=O)CCC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064238	0	43	-1.0	-43.73	349.44	1.20	-42.53
C[C@H](CNC(=O)C1=CC=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064239	0	33	-1.0	-46.41	300.36	-0.88	-47.29
C[C@H](CNC(=O)CC1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064240	0	35	-1.0	-47.97	313.47	-0.13	-48.10
C[C@H](CNC(=O)C1=NC=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064241	0	33	-1.0	-50.10	300.92	-1.47	-51.57
CCC(C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064242	0	43	-1.0	-43.80	351.50	1.45	-42.35
C[C@H](CNC(=O)C1=CC=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064243	0	33	-1.0	-50.44	300.37	-1.80	-52.24
C[C@H](CNC(=O)C1CCOC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064244	0	39	-1.0	-45.58	323.28	-1.17	-46.75
C[C@H](CNC(=O)C1(C)CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064245	0	39	-1.0	-44.54	325.17	-1.44	-45.98
CCC(CC)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064246	0	43	-1.0	-43.59	347.19	1.37	-42.22
CCC(C)C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064247	0	43	-1.0	-43.24	344.29	1.23	-42.01
CCCC(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064248	0	43	-1.0	-43.77	352.88	1.37	-42.40
CCC1(C)CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064249	0	41	-1.0	-43.56	336.90	1.38	-42.18
COCC(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064250	0	41	-1.0	-45.36	343.88	-0.79	-46.15
C[C@H](CNC(=O)C1CCC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064251	0	38	-1.0	-45.38	322.77	0.72	-44.66
C[C@H](CNC(=O)CCC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064252	0	41	-1.0	-43.90	342.17	1.45	-42.45
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005064253	0	34	-1.0	-46.61	305.32	-0.84	-47.45
CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064254	0	43	0.0	-63.54	348.39	0.70	-62.84
CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064254	1	43	0.0	-63.62	348.39	0.70	-62.92
CC1=CON=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064255	0	34	-1.0	-48.28	305.63	-1.03	-49.31
C[C@H](CNC(=O)CN1N=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064256	0	33	-1.0	-51.19	303.03	-2.09	-53.28
CCCC[C@@H](C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064257	0	43	-1.0	-43.57	353.38	1.58	-41.99
CCC(C)(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064258	0	43	-1.0	-43.04	340.13	1.11	-41.93
CC(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064259	0	43	-1.0	-43.16	337.90	0.90	-42.26
C=CC(C)(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064260	0	41	-1.0	-43.04	334.56	1.02	-42.02
C[C@H](CNC(=O)CN1N=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064261	0	34	-1.0	-50.75	308.32	-2.48	-53.23
C=CCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064262	0	38	-1.0	-44.29	328.52	0.86	-43.43
CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064263	0	40	-1.0	-43.59	325.37	0.46	-43.13
CCCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064264	0	43	-1.0	-43.53	346.87	1.23	-42.30
C[C@H](CNC(=O)C1(C(N)=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064265	0	36	-1.0	-48.67	322.47	-4.00	-52.67
C[C@H](CNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064266	0	29	-1.0	-47.21	268.05	-5.94	-53.15
CC1=NOC=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064267	0	34	-1.0	-46.20	305.53	-0.91	-47.11
C[C@H](CNC(=O)C1(C)CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064268	0	39	-1.0	-43.86	326.66	1.06	-42.80
COC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005064269	0	41	-1.0	-45.46	340.10	0.10	-45.36
C[C@H](CNC(=O)CC1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064270	0	38	-1.0	-44.06	322.99	0.93	-43.13
C=CC(C)(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064271	0	41	-1.0	-43.61	334.02	1.53	-42.08
C[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064272	0	39	-1.0	-45.57	326.91	-1.20	-46.77
CCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064273	0	38	-1.0	-44.03	325.88	0.73	-43.30
C[C@H](CNC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064274	0	37	-1.0	-43.61	311.15	-0.04	-43.65
C[C@H](CNC(=O)CC1=NNC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064275	0	34	-1.0	-52.12	307.33	-1.40	-53.52
C[C@H](CNC(=O)CC1=NN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064275	1	34	-1.0	-56.27	305.94	-0.86	-57.13
C=C(C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064276	0	38	-1.0	-43.96	328.66	0.75	-43.21
C[C@H](CNC(=O)C1=CC=NS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064277	0	31	-1.0	-45.73	295.31	-1.31	-47.04
C[C@H](CNC(=O)CC(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064278	0	34	-1.0	-48.30	304.61	-0.30	-48.60
CCCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064279	0	41	-1.0	-43.85	346.37	1.50	-42.35
CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064280	0	41	-1.0	-43.95	347.50	1.74	-42.21
CC(C)C1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064281	0	41	-1.0	-43.81	342.82	1.58	-42.23
C=C1CC(C)(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005064282	0	39	-1.0	-43.48	330.70	1.07	-42.41
C[C@H](CNC(=O)C1(CF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064283	0	35	-1.0	-45.66	310.83	0.17	-45.49
C[C@H](CNC(=O)C1CC2(CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064284	0	39	-1.0	-43.67	331.79	1.42	-42.25
CCCCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064285	0	43	-1.0	-43.94	358.70	1.86	-42.08
CC(C)C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064286	0	40	-1.0	-43.22	326.28	0.60	-42.62
C[C@H](CNC(=O)C1CCC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064287	0	41	-1.0	-43.59	337.44	1.27	-42.32
C#CCOCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064288	0	37	-1.0	-46.33	334.02	-0.67	-47.00
C#CCOC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064289	0	37	-1.0	-48.63	332.86	0.30	-48.33
C[C@H](CNC(=O)C(C)(C)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064290	0	38	-1.0	-52.09	322.73	-2.44	-54.53
C[C@H](CNC(=O)C1(C2CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064291	0	39	-1.0	-43.46	324.90	1.73	-41.73
COC1CC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005064292	0	39	-1.0	-46.08	332.90	-1.01	-47.09
C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064293	0	36	-1.0	-51.00	320.57	-3.90	-54.90
CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005064294	0	43	0.0	-59.76	338.94	0.46	-59.30
C[C@H](CNC(=O)C1(CF)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064295	0	38	-1.0	-43.66	319.99	0.61	-43.05
CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064296	0	38	-1.0	-44.10	326.01	0.95	-43.15
CC(C)CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064297	0	43	-1.0	-43.94	354.77	1.58	-42.36
C[C@H](CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064298	0	34	-1.0	-52.95	307.68	0.60	-52.35
C[C@H](CNC(=O)CCNC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064299	0	37	-1.0	-52.73	326.44	-5.73	-58.46
C[C@H](CNC(=O)C1=NSC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064300	0	31	-1.0	-46.50	294.59	-1.47	-47.97
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005064301	0	41	-1.0	-43.39	338.55	1.41	-41.98
C[C@H](CNC(=O)C1COC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064302	0	39	-1.0	-44.91	327.58	-1.16	-46.07
C[C@H](CNC(=O)C1CC12CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064303	0	36	-1.0	-44.39	315.67	1.00	-43.39
C[C@H](CNC(=O)CC1=CNC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064304	0	35	-1.0	-52.12	311.24	-0.59	-52.71
C[C@H](CNC(=O)CC1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064304	1	35	-1.0	-50.56	312.09	-0.78	-51.34
C=CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064305	0	41	-1.0	-43.59	340.30	1.06	-42.53
C[C@H](CNC(=O)C1CC12CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064306	0	39	-1.0	-43.87	330.54	1.45	-42.42
CC1=CNC=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064307	0	36	-1.0	-47.54	314.06	-0.41	-47.95
C[C@H](CNC(=O)C1=NN(C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064308	0	35	-1.0	-49.43	313.72	-1.16	-50.59
C[C@H](CNC(=O)C1(F)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064309	0	38	-1.0	-44.68	321.83	0.65	-44.03
C[C@H](CNC(=O)C1=CN=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064310	0	35	-1.0	-48.74	308.36	0.17	-48.57
C[C@H](CNC(=O)CC(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064311	0	38	-1.0	-53.08	326.57	-0.27	-53.35
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064312	0	39	-1.0	-44.19	336.80	1.76	-42.43
COCCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064313	0	41	-1.0	-45.55	344.05	-0.90	-46.45
CCC(C)(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064314	0	43	-1.0	-43.50	341.30	0.94	-42.56
COCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064315	0	39	-1.0	-45.57	337.90	-0.92	-46.49
COCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064316	0	41	-1.0	-43.85	342.75	-0.84	-44.69
C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064317	0	36	-1.0	-46.30	309.12	-0.66	-46.96
C[C@H](CNC(=O)CCC(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064318	0	34	-1.0	-45.72	306.87	-0.22	-45.94
C[C@H](CNC(=O)C1=CC(F)=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064319	0	33	-1.0	-45.91	301.66	-1.09	-47.00
C[C@H](CNC(=O)CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064320	0	38	-1.0	-43.79	323.64	0.78	-43.01
C[C@H](CNC(=O)C1(CCF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064321	0	38	-1.0	-44.55	331.46	0.86	-43.69
C[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064322	0	37	-1.0	-46.31	319.13	-1.28	-47.59
C[C@H](CNC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064323	0	35	-1.0	-43.97	300.98	0.12	-43.85
C[C@H](CNC(=O)C1=CNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064324	0	33	-1.0	-47.97	295.34	-1.08	-49.05
CC(CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005064325	0	41	-1.0	-43.48	340.60	1.57	-41.91
C[C@H](CNC(=O)C1=CSN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064326	0	30	-1.0	-48.56	290.08	-2.58	-51.14
C[C@H](CNC(=O)C1(C)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064327	0	41	-1.0	-43.50	334.04	1.15	-42.35
C[C@H](CNC(=O)C1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064328	0	31	-1.0	-46.42	287.11	-4.25	-50.67
CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064329	0	37	-1.0	-49.57	326.24	-4.92	-54.49
C=CCCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064330	0	39	-1.0	-46.58	341.59	0.43	-46.15
C=CCOC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064331	0	39	-1.0	-46.49	339.98	0.33	-46.16
C[C@H](CNC(=O)CCCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064332	0	38	-1.0	-52.98	331.89	-3.64	-56.62
CC1=NNC=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064333	0	35	-1.0	-46.81	308.31	-1.91	-48.72
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005064334	0	34	-1.0	-46.18	302.98	-3.25	-49.43
CC1=NNN=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064334	1	34	-1.0	-45.61	304.21	-3.32	-48.93
CCCC(OC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064335	0	41	-1.0	-44.99	347.74	0.45	-44.54
C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064336	0	41	-1.0	-43.52	335.98	0.91	-42.61
CC(CC(N)=O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064337	0	38	-1.0	-47.96	325.73	-3.83	-51.79
C[C@H](CNC(=O)C1CCNC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064338	0	36	-1.0	-51.61	311.63	-3.50	-55.11
C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064339	0	38	-1.0	-43.92	319.90	0.36	-43.56
C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064340	0	41	0.0	-59.91	333.36	0.53	-59.38
C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064340	1	41	0.0	-61.83	328.24	0.02	-61.81
C[C@H](CNC(=O)[C@H]1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064340	1	40	-1.0	-44.89	333.70	-1.74	-46.63
C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064341	0	35	-1.0	-44.18	304.61	0.19	-43.99
C[C@H](CNC(=O)C1(C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064342	0	38	-1.0	-43.66	316.63	0.54	-43.12
CCC(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064343	0	34	-1.0	-45.29	300.48	-0.45	-45.74
C[C@H](CNC(=O)CCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005064344	0	34	-1.0	-45.92	300.80	-0.35	-46.27
CC1=COC=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064345	0	35	-1.0	-46.63	310.35	-0.29	-46.92
C[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064346	0	35	-1.0	-44.02	304.60	0.19	-43.83
C[C@H](CNC(=O)C1(C)C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064347	0	39	-1.0	-43.66	327.15	1.04	-42.62
C[C@H](CNC(=O)C1=NN(C)N=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064348	0	33	-1.0	-50.25	303.56	-3.25	-53.50
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005064349	0	35	-1.0	-46.77	308.02	-0.79	-47.56
CC(C)C(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064350	0	37	-1.0	-43.72	314.99	0.14	-43.58
C=CC(C)C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064351	0	41	-1.0	-43.28	339.71	1.13	-42.15
CCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005064352	0	41	-1.0	-43.79	336.69	1.01	-42.78
CC#CCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064353	0	39	-1.0	-47.01	343.31	1.77	-45.24
C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)C1=CC(=O)[N-]O1	REAL250005064354	0	37	-1.0	-44.63	318.89	-1.09	-45.72
C[C@H](CNC(=O)CCCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064355	0	41	-1.0	-44.15	347.32	1.86	-42.29
C[C@H](CNC(=O)C1CCC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064356	0	41	-1.0	-43.32	337.54	1.00	-42.32
CC1=COC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005064357	0	35	-1.0	-45.86	314.22	-0.25	-46.11
C=CC(CC)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064358	0	41	-1.0	-43.56	344.25	1.33	-42.23
C[C@H](CNC(=O)C(C)(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064359	0	41	-1.0	-43.68	334.29	1.21	-42.47
C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064360	0	39	-1.0	-43.78	327.14	1.36	-42.42
C[C@H](CNC(=O)CC1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064361	0	34	-1.0	-47.93	307.70	-0.87	-48.80
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005064362	0	43	-1.0	-42.83	338.17	0.99	-41.84
C[C@H](CNC(=O)C1=NNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064363	0	31	-1.0	-45.69	285.62	-3.92	-49.61
C[C@H](CNC(=O)C1=CN=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064363	1	31	-1.0	-46.31	284.72	-3.85	-50.16
C[C@H](CNC(=O)C=CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064364	0	33	-1.0	-49.44	302.67	-4.62	-54.06
C[C@H](CNC(=O)C1=NC(N)=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064365	0	33	-1.0	-46.31	301.86	-2.33	-48.64
COC(=O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064366	0	34	-1.0	-50.38	304.65	-0.28	-50.66
C#CCSCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064367	0	34	-1.0	-47.78	323.01	0.59	-47.19
CSC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064368	0	33	-1.0	-44.96	308.33	-0.35	-45.31
C[C@H](CNC(=O)C1(CO)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064369	0	39	-1.0	-43.91	324.47	-2.16	-46.07
C[C@H](CNC(=O)CCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064370	0	35	-1.0	-48.89	310.39	-4.42	-53.31
C=CCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064371	0	39	-1.0	-44.02	338.26	1.31	-42.71
C[C@H](CNC(=O)COC(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064372	0	32	-1.0	-47.27	297.03	-1.54	-48.81
C[C@H](CNC(=O)C1=CCCS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064373	0	34	-1.0	-47.27	309.81	0.27	-47.00
CC1=NOC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005064374	0	36	-1.0	-51.37	318.08	-0.59	-51.96
C[C@H](CNC(=O)C(=O)NC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064375	0	36	-1.0	-47.02	321.58	-2.72	-49.74
C[C@H](CNC(=O)C1=CC(N)=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064376	0	34	-1.0	-46.99	306.04	-3.76	-50.75
C[C@H](CNC(=O)C1CCSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064377	0	36	-1.0	-44.37	315.24	0.36	-44.01
C[C@H](CNC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064378	0	33	-1.0	-46.91	291.60	-1.71	-48.62
CCCC(O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064379	0	41	-1.0	-46.30	346.38	-1.33	-47.63
C[C@H](CNC(=O)C(C)(C)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064380	0	38	-1.0	-45.94	328.18	0.15	-45.79
C[C@H](CNC(=O)C1(Cl)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064381	0	32	-1.0	-44.50	298.70	0.04	-44.46
C[C@H](CNC(=O)C1=CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064382	0	34	-1.0	-45.72	300.80	-1.37	-47.09
C[C@H](CNC(=O)C1(CO)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064383	0	37	-1.0	-47.80	316.47	-4.88	-52.68
CC(C)=CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064384	0	41	-1.0	-44.00	345.66	1.49	-42.51
C[C@H](CNC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064385	0	33	-1.0	-44.78	290.07	-2.74	-47.52
C[C@H](CNC(=O)C1CCC(C)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064386	0	39	-1.0	-46.99	330.05	0.12	-46.87
C[C@H](CNC(=O)C1=NNC=C1N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064387	0	34	-1.0	-47.92	303.30	-4.45	-52.37
C[C@H](CNC(=O)C1=C(N)C=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064387	1	34	-1.0	-45.88	302.16	-4.42	-50.30
C[C@H](CNC(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005064388	0	33	-1.0	-47.30	297.38	-4.02	-51.32
CC1=NNC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005064389	0	34	-1.0	-46.12	307.72	-1.95	-48.07
CC1=NN=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005064389	1	34	-1.0	-51.09	307.93	-1.69	-52.78
C[C@H](CNC(=O)C1=COC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064390	0	32	-1.0	-49.08	295.84	-3.88	-52.96
C[C@H](CNC(=O)C1=COC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064390	1	31	-2.0	-94.35	293.72	-5.55	-99.90
CC=CC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064391	0	36	-1.0	-44.22	315.77	-1.80	-46.02
CCCC[C@H](C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064392	0	43	-1.0	-43.54	353.37	1.60	-41.94
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064393	0	40	0.0	-60.43	326.19	-0.12	-60.55
C[C@H](CNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064393	1	39	-1.0	-44.41	320.37	-2.54	-46.95
CCC=C(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064394	0	35	-1.0	-44.35	311.55	0.15	-44.20
CCC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064395	0	35	-1.0	-44.43	307.37	0.11	-44.32
C[C@H](CNC(=O)C1CNC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064396	0	36	-1.0	-48.58	313.28	-3.68	-52.26
C[C@H](CNC(=O)C1=NON=C1N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064397	0	32	-1.0	-45.14	295.16	-3.24	-48.38
C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064398	0	35	-1.0	-52.00	308.96	-5.82	-57.82
C[C@H](CNC(=O)C1=CN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064399	0	31	-1.0	-45.07	295.26	-1.80	-46.87
C[C@H](CNC(=O)CCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005064400	0	33	-1.0	-44.20	302.83	-4.64	-48.84
C#CCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064401	0	34	-1.0	-49.22	313.07	-0.40	-49.62
C[C@H](CNC(=O)CC1=NN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064402	0	33	-1.0	-52.00	302.84	-6.08	-58.08
C[C@H](CNC(=O)C1CCCS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064403	0	36	-1.0	-45.30	317.13	0.37	-44.93
COC(C)(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064404	0	41	-1.0	-45.81	335.25	0.01	-45.80
CC(O)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064405	0	38	-1.0	-45.16	326.01	-2.99	-48.15
C[C@H](CNC(=O)CN1C=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064406	0	36	-1.0	-47.49	318.88	1.08	-46.41
C#CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064407	0	33	-1.0	-44.78	299.99	0.03	-44.75
CC(=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005064408	0	41	-1.0	-43.66	340.68	1.31	-42.35
COC1(CC(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064409	0	39	-1.0	-45.94	332.84	-0.97	-46.91
CC[C@H](C)[C@H](O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064410	0	41	-1.0	-44.32	336.13	-0.75	-45.07
CC=CC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064411	0	36	-1.0	-44.67	321.45	0.78	-43.89
C[C@H](CNC(=O)C1=NC=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064412	0	34	-1.0	-46.90	304.17	-0.53	-47.43
C[C@H](CNC(=O)[C@@H]1CC[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064413	0	39	-1.0	-45.69	326.92	-2.75	-48.44
C[C@H](CNC(=O)[C@@H]1CC=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064414	0	39	-1.0	-43.71	326.27	1.20	-42.51
COCC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064415	0	36	-1.0	-45.99	319.63	-1.61	-47.60
C[C@H](CNC(=O)C1CC2CC2C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064416	0	39	-1.0	-43.57	325.13	1.29	-42.28
C[C@H](CNC(=O)CN1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064417	0	40	-1.0	-45.46	336.20	-2.33	-47.79
C[C@H](CNC(=O)C[NH+]1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064417	1	41	0.0	-61.98	339.56	0.57	-61.41
CCC(C)(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064418	0	38	-1.0	-44.26	319.81	-3.16	-47.42
C#CCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064419	0	36	-1.0	-44.24	317.86	0.58	-43.66
C=CC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064420	0	33	-1.0	-44.41	294.06	-2.66	-47.07
C[C@H](CNC(=O)CCCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005064421	0	36	-1.0	-45.84	324.35	-3.83	-49.67
C[C@H](CNC(=O)C1OCC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064422	0	39	-1.0	-45.93	329.92	-0.40	-46.33
C[C@H](CNC(=O)C12CC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064423	0	36	-1.0	-44.40	311.66	0.72	-43.68
CCCC(C)=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064424	0	41	-1.0	-43.67	345.36	1.59	-42.08
C=C[C@H](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064425	0	38	-1.0	-43.71	323.72	0.64	-43.07
C[C@H](CNC(=O)C=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064426	0	36	-1.0	-44.40	318.25	0.93	-43.47
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005064427	0	34	-1.0	-45.79	305.04	-0.72	-46.51
CC(C)CC(=O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064428	0	39	-1.0	-45.13	334.00	0.07	-45.06
C[C@H](CNC(=O)C1(C#N)CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064429	0	36	-1.0	-46.48	318.41	0.46	-46.02
CCC(C#N)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064430	0	35	-1.0	-49.35	312.32	-0.33	-49.68
C[C@H](CNC(=O)[C@@H]1CNC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064431	0	34	-1.0	-54.22	305.16	-4.18	-58.40
C[C@H](CNC(=O)C1C2CCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005064432	0	36	-1.0	-44.42	310.59	0.90	-43.52
C=C1CCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064433	0	36	-1.0	-44.17	313.00	0.52	-43.65
C[C@H](CNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064434	0	38	-1.0	-43.41	313.40	0.70	-42.71
CC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064435	0	40	0.0	-61.90	326.02	0.13	-61.77
CC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064435	1	40	0.0	-61.82	326.02	0.14	-61.68
CCN(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064435	1	39	-1.0	-44.53	324.18	-2.13	-46.66
C[C@H](CNC(=O)C1CC2(C1)N=N2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064436	0	35	-1.0	-44.54	312.34	-4.98	-49.52
CC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064437	0	32	-1.0	-47.61	283.84	-3.42	-51.03
CC(=O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064438	0	30	-1.0	-45.59	274.97	-2.12	-47.71
C[C@H](CNC(=O)C1=CNN=C1N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064439	0	34	-1.0	-47.15	302.12	-3.45	-50.60
CC(NC(N)=O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064440	0	37	-1.0	-48.41	323.87	-5.52	-53.93
CCOC(=O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064441	0	37	-1.0	-50.18	326.52	0.64	-49.54
C[C@H](CNC(=O)C1=CC(=O)N[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064442	0	32	-2.0	-89.62	298.54	-4.56	-94.18
CC1=CC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005064443	0	36	-1.0	-47.81	317.25	-0.52	-48.33
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005064444	0	39	-1.0	-44.13	326.27	1.32	-42.81
C[C@H](CNC(=O)CCCC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064445	0	35	-1.0	-50.61	315.06	0.03	-50.58
C[C@H](CNC(=O)C1(C#N)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064446	0	33	-1.0	-49.35	302.48	-0.25	-49.60
C=C1CC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005064447	0	36	-1.0	-43.85	312.95	0.53	-43.32
C[C@H](CNC(=O)[C@]12C[C@H]1[C@H](O)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064448	0	37	-1.0	-47.23	323.05	-2.67	-49.90
C[C@H](CNC(=O)C12CC(C1)CO2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064449	0	37	-1.0	-45.25	316.31	-1.28	-46.53
CCC=CC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064450	0	39	-1.0	-44.61	342.54	1.54	-43.07
C[C@H](CNC(=O)CN(C)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064451	0	37	-1.0	-51.62	322.77	-3.76	-55.38
C[C@H](CNC(=O)C1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064452	0	31	-2.0	-92.37	293.04	-6.01	-98.38
C[C@H](CNC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064453	0	32	-1.0	-44.85	289.42	-0.45	-45.30
C[C@H](CNC(=O)C(C)(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064454	0	39	-1.0	-44.40	328.48	-2.52	-46.92
CC1=NC=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL250005064455	0	34	-1.0	-45.82	309.10	-3.49	-49.31
COC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064456	0	38	-1.0	-46.23	317.16	-0.72	-46.95
CC(CC#N)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064457	0	35	-1.0	-46.53	311.43	-0.23	-46.76
CCC1CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064458	0	38	-1.0	-43.62	320.53	0.97	-42.65
C[C@H](CNC(=O)[C@H](C)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064459	0	41	-1.0	-45.60	332.52	-1.46	-47.06
C[C@H](CNC(=O)C1COC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064460	0	33	-1.0	-52.82	301.28	-0.84	-53.66
C[C@H](CNC(=O)C12CC(C1)OC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064461	0	37	-1.0	-45.77	316.96	-1.46	-47.23
CC(O)C1CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064462	0	39	-1.0	-45.64	329.17	-0.88	-46.52
C[C@H](CNC(=O)[C@]12C[C@H]1[C@H](C)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064463	0	39	-1.0	-44.21	332.65	1.36	-42.85
C[C@H](CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064464	0	34	-1.0	-52.95	307.68	0.60	-52.35
CC(C[NH+](C)C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064465	0	43	0.0	-63.57	346.70	0.72	-62.85
C=CC(C)(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064466	0	36	-1.0	-44.61	313.37	-3.09	-47.70
CCC(C)(CO)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064467	0	41	-1.0	-45.76	335.28	-2.81	-48.57
C[C@H](CNC(=O)C1([NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064468	0	41	0.0	-61.28	337.08	0.71	-60.57
C[C@H](CNC(=O)C1(N(C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064468	1	40	-1.0	-42.88	329.24	-1.31	-44.19
CCCC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064469	0	38	-1.0	-44.24	328.87	0.89	-43.35
CC=C(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064470	0	32	-1.0	-44.45	291.25	-0.59	-45.04
CCC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005064471	0	43	-1.0	-43.12	342.72	1.09	-42.03
C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064472	0	40	0.0	-61.37	326.43	-0.11	-61.48
C[C@H](CNC(=O)[C@@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064472	1	39	-1.0	-43.98	317.91	-2.60	-46.58
CC(C)C(CO)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064473	0	41	-1.0	-43.67	335.17	-2.20	-45.87
CCOC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064474	0	36	-1.0	-45.73	319.35	-1.03	-46.76
CCN1CCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064475	0	40	-1.0	-45.60	336.14	-2.58	-48.18
CC[N@@H+]1CCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064475	1	41	0.0	-60.23	332.86	0.13	-60.10
CC[N@H+]1CCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064475	1	41	0.0	-60.66	339.92	0.49	-60.17
CCC(C)=C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064476	0	41	-1.0	-43.65	337.00	1.46	-42.19
COC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005064477	0	39	-1.0	-43.91	327.59	-0.88	-44.79
C=CCCC(=O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064478	0	37	-1.0	-45.14	330.07	0.04	-45.10
CC(O)CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064479	0	41	-1.0	-46.29	347.51	-2.22	-48.51
CC(=O)OCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064480	0	34	-1.0	-48.76	308.78	-0.30	-49.06
CC(=O)NCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064481	0	38	-1.0	-52.22	333.50	-2.94	-55.16
C[C@H](CNC(=O)C1=CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064482	0	33	-1.0	-50.27	299.73	-4.32	-54.59
C[C@H](CNC(=O)C(C)(C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064483	0	43	0.0	-60.60	335.76	0.63	-59.97
C[C@H](CNC(=O)C(F)(F)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005064484	0	32	-1.0	-46.38	295.27	-4.31	-50.69
C[C@H](CNC(=O)C#CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064485	0	37	-1.0	-46.20	332.72	1.45	-44.75
CC(=O)C=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064486	0	34	-1.0	-47.47	309.53	-0.77	-48.24
C[C@H](CNC(=O)COC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064487	0	36	-1.0	-47.28	317.65	-0.14	-47.42
C[C@H](CNC(=O)C1=NC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064488	0	32	-1.0	-48.83	291.16	-2.21	-51.04
C[C@H](CNC(=O)C=CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064489	0	39	-1.0	-44.17	334.69	1.46	-42.71
C[C@H](CNC(=O)C1=NN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064490	0	30	-1.0	-49.12	291.27	-2.90	-52.02
C[C@H](CNC(=O)C1CC(=O)CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064491	0	35	-1.0	-48.76	311.80	-1.64	-50.40
CC(C)NC(=O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064492	0	38	-1.0	-47.11	332.10	-2.78	-49.89
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005064493	0	37	-1.0	-44.21	316.31	-0.60	-44.81
C[C@H](CNC(=O)C1=NC=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064494	0	35	-1.0	-49.16	309.42	-0.47	-49.63
CC(CO)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064495	0	35	-1.0	-44.78	302.84	-3.89	-48.67
C[C@H](CNC(=O)C1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064496	0	31	-1.0	-46.27	286.18	-1.49	-47.76
C[C@H](CNC(=O)CCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005064497	0	38	-1.0	-45.97	327.13	-3.05	-49.02
C[C@H](CNC(=O)C(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064498	0	34	-1.0	-45.49	306.04	-0.52	-46.01
C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064499	0	34	-1.0	-52.00	305.14	-4.67	-56.67
C[C@H](CNC(=O)CC1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064500	0	36	-1.0	-47.13	314.65	-3.24	-50.37
C[C@H](CNC(=O)C1CCC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064501	0	35	-1.0	-46.74	305.21	0.07	-46.67
C[C@H](CNC(=O)C(F)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064502	0	38	-1.0	-43.93	323.34	0.81	-43.12
C[C@H](CNC(=O)C1CC(C)(C)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064503	0	39	-1.0	-46.59	333.17	-0.33	-46.92
C[C@H](CNC(=O)[C@@H]1C[C@H]1CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005064504	0	35	-1.0	-46.56	311.26	0.33	-46.23
C[C@H](CNC(=O)C(F)=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064505	0	36	-1.0	-45.20	317.50	0.82	-44.38
CCC(CO)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064506	0	38	-1.0	-45.27	318.74	-2.83	-48.10
C[C@H](CNC(=O)CC(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064507	0	39	-1.0	-46.27	335.67	-1.36	-47.63
CC(=CC1CC1)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064508	0	39	-1.0	-44.17	331.94	1.56	-42.61
C[C@H](CNC(=O)[C@@H]1C[C@@H]1C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064509	0	33	-1.0	-51.80	300.19	-0.17	-51.97
C[C@H](CNC(=O)CC1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064510	0	34	-1.0	-49.66	308.15	-3.41	-53.07
C[C@H](CNC(=O)C1=COCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064511	0	34	-1.0	-44.65	299.41	-1.42	-46.07
C[C@H](CNC(=O)CCC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064512	0	41	-1.0	-44.87	342.60	-2.46	-47.33
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005064513	0	36	-1.0	-45.27	317.12	-0.59	-45.86
C[C@H](CNC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064514	0	33	-1.0	-44.92	291.54	-3.56	-48.48
C[C@H](CNC(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064515	0	33	-1.0	-44.93	293.18	0.03	-44.90
C[C@H](CNC(=O)C1=NOC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064516	0	36	-1.0	-47.03	317.83	-1.64	-48.67
CC(CF)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064517	0	34	-1.0	-43.53	298.06	-0.48	-44.01
CC(Cl)=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064518	0	32	-1.0	-45.09	298.26	-0.14	-45.23
CC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064519	0	32	-1.0	-44.58	286.28	-0.65	-45.23
CCC(F)(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064520	0	34	-1.0	-44.06	304.46	-0.35	-44.41
C[C@H](CNC(=O)C1(C)CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064521	0	35	-1.0	-44.12	307.18	0.21	-43.91
C[C@H](CNC(=O)[C@@H]1CCC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064522	0	35	-1.0	-51.23	311.03	0.01	-51.22
C[C@H](CNC(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005064523	0	32	-1.0	-46.04	292.46	-0.54	-46.58
C[C@H](CNC(=O)C(F)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064524	0	38	-1.0	-45.08	332.06	1.11	-43.97
C[C@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064525	0	34	-1.0	-51.94	305.09	-4.65	-56.59
C[C@H](CNC(=O)CCCCC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064526	0	38	-1.0	-48.90	336.56	0.81	-48.09
C[C@H](CNC(=O)C1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064527	0	36	-1.0	-47.14	316.90	-3.34	-50.48
C[C@H](CNC(=O)C1=CC=NO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064528	0	31	-1.0	-46.69	286.81	-1.52	-48.21
C[C@H](CNC(=O)C1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064530	0	36	-1.0	-50.56	314.99	-3.36	-53.92
C[C@H](CNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064531	0	32	-1.0	-45.18	283.50	-3.39	-48.57
C[C@H](CNC(=O)C1=CC=C(F)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064532	0	32	-1.0	-45.34	298.75	-0.83	-46.17
CON=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064533	0	32	-1.0	-47.18	295.17	-2.69	-49.87
C#CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064534	0	39	-1.0	-43.98	334.61	1.04	-42.94
C[C@H](CNC(=O)C1CC(C)(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064535	0	38	-1.0	-44.50	326.88	0.72	-43.78
CCC(C)(OC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064536	0	41	-1.0	-43.68	335.02	-0.80	-44.48
CC(C)[C@H](O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064537	0	38	-1.0	-44.45	319.79	-1.86	-46.31
C#CC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064538	0	34	-1.0	-43.94	308.92	0.58	-43.36
C[C@H](CNC(=O)[C@H]1CCC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064539	0	35	-1.0	-51.44	311.21	0.08	-51.36
C=CC=CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064540	0	36	-1.0	-44.88	320.87	0.71	-44.17
C#CC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005064541	0	37	-1.0	-43.77	324.83	1.02	-42.75
C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064542	0	41	0.0	-59.97	328.27	0.02	-59.95
C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064542	1	41	0.0	-59.72	334.09	0.49	-59.23
C[C@H](CNC(=O)[C@@H]1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064542	1	40	-1.0	-45.10	333.40	-1.93	-47.03
C[C@H](CNC(=O)C1CC=CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064543	0	37	-1.0	-46.37	318.78	-0.01	-46.38
C[C@H](CNC(=O)C1=CC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064544	0	39	-1.0	-44.44	335.51	1.24	-43.20
C#C[C@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064545	0	34	-1.0	-46.35	306.10	0.68	-45.67
C[C@H](CNC(=O)C1(N=[N+]=[N-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064546	0	34	-1.0	-45.76	306.44	-3.41	-49.17
CCC(CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)OC	REAL250005064547	0	41	-1.0	-45.39	340.88	0.29	-45.10
C[C@H](CNC(=O)C1=CSC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064548	0	31	-1.0	-47.13	295.35	-1.95	-49.08
CC=C(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064549	0	38	-1.0	-44.19	322.06	0.73	-43.46
C[C@H](CNC(=O)CC12CC(C1)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064550	0	39	-1.0	-44.42	326.31	1.47	-42.95
CCC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005064551	0	41	-1.0	-44.07	335.85	-2.61	-46.68
COC(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064552	0	32	-1.0	-46.91	291.33	-2.42	-49.33
C[C@H](CNC(=O)C1(C#N)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064553	0	36	-1.0	-48.64	318.43	0.18	-48.46
C[C@H](CNC(=O)C=C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064554	0	39	-1.0	-44.29	328.12	1.35	-42.94
C[C@H](CNC(=O)CC(C)(C)C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064555	0	38	-1.0	-45.50	325.19	0.24	-45.26
COCC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064556	0	36	-1.0	-46.42	316.86	-4.09	-50.51
C[C@H](CNC(=O)[C@@H]1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064557	0	32	-1.0	-46.94	294.71	-0.28	-47.22
C[C@H](CNC(=O)[C@@H]1C[C@H]1C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064558	0	33	-1.0	-47.68	304.23	-0.06	-47.74
C=C(C)CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064559	0	41	-1.0	-44.40	349.87	1.51	-42.89
C[C@H](CNC(=O)[C@H]1C[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064560	0	36	-1.0	-46.62	310.87	-3.38	-50.00
C[C@H](CNC(=O)CC1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064561	0	41	-1.0	-44.07	343.67	1.43	-42.64
C[C@H](CNC(=O)C1=C(Cl)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064562	0	33	-1.0	-45.46	310.80	0.52	-44.94
C[C@H](CNC(=O)[C@]12C[C@H]1[C@H](F)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064563	0	36	-1.0	-46.36	318.30	0.81	-45.55
C[C@H](CNC(=O)C1=CNC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064564	0	32	-1.0	-52.35	297.01	-3.68	-56.03
CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064565	0	41	-1.0	-43.97	345.07	1.51	-42.46
C[C@H](CNC(=O)COCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005064566	0	36	-1.0	-49.77	318.66	-4.06	-53.83
C[C@H](CNC(=O)C(C)(C)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005064567	0	37	-1.0	-43.17	316.15	0.05	-43.12
CC(C)[C@@H](O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064568	0	41	-1.0	-46.13	341.56	-1.60	-47.73
C[C@H](CNC(=O)C(C)(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005064569	0	38	-1.0	-44.57	320.49	-3.24	-47.81
C=CCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064570	0	38	-1.0	-43.66	324.89	0.64	-43.02
C[C@H](CNC(=O)C1CCCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064571	0	41	-1.0	-43.67	335.98	1.23	-42.44
C[C@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)NC(=O)C1=CC(=O)[N-]O1	REAL250005064572	0	39	-1.0	-43.87	325.72	1.28	-42.59
C[C@H](CNC(=O)C1(C)CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064573	0	38	-1.0	-46.63	321.13	0.65	-45.98
C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064574	0	35	-1.0	-44.18	304.61	0.19	-43.99
C[C@H](CNC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064575	0	35	-1.0	-44.46	303.19	-3.83	-48.29
CSC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064576	0	36	-1.0	-43.46	325.61	0.67	-42.79
C[C@H](CNC(=O)C1=NOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064577	0	33	-1.0	-47.19	296.74	-2.40	-49.59
CC(C#N)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064578	0	35	-1.0	-46.41	310.25	-0.22	-46.63
C[C@H](CNC(=O)C[N@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064579	0	41	0.0	-59.67	337.56	0.86	-58.81
C[C@H](CNC(=O)C[N@@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064579	1	41	0.0	-59.83	337.57	0.87	-58.96
C[C@H](CNC(=O)CN(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064579	1	40	-1.0	-44.55	331.58	-1.52	-46.07
C[C@H](CNC(=O)CCOC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064580	0	39	-1.0	-44.96	338.60	-0.43	-45.39
C[C@H](CNC(=O)CCCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005064581	0	41	-1.0	-46.64	348.62	-2.27	-48.91
CC(CCO)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064582	0	38	-1.0	-46.59	321.80	-3.31	-49.90
C[C@H](CNC(=O)C(F)=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064583	0	36	-1.0	-44.46	322.79	0.98	-43.48
C[C@H](CNC(=O)CC1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064584	0	38	-1.0	-44.99	327.25	0.90	-44.09
C[C@H](CNC(=O)[C@H](O)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005064585	0	32	-1.0	-45.93	289.81	-3.23	-49.16
C[C@H](CNC(=O)C1(CCO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064586	0	39	-1.0	-45.57	336.29	-2.62	-48.19
CC(C)C(C)(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064587	0	41	-1.0	-43.98	334.51	-2.42	-46.40
C[C@H](CNC(=O)C1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064588	0	36	-1.0	-44.88	307.55	-3.02	-47.90
C[C@H](CNC(=O)C(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064589	0	36	-1.0	-44.64	311.79	-1.58	-46.22
C[C@H](CNC(=O)CN1C=NN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064590	0	34	-1.0	-53.73	308.20	1.51	-52.22
C=C(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064591	0	35	-1.0	-44.18	307.26	-0.05	-44.23
C[C@H](CNC(=O)C(C)(C)C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064592	0	35	-1.0	-47.82	310.54	-0.47	-48.29
CCSCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064593	0	35	-1.0	-45.80	317.24	0.07	-45.73
CC(=O)OCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064594	0	37	-1.0	-49.16	329.72	-0.28	-49.44
CC(C)=C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064595	0	38	-1.0	-43.86	316.10	0.75	-43.11
C[C@H](CNC(=O)CCC1(C)N=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064596	0	37	-1.0	-44.90	326.37	-4.61	-49.51
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064597	0	31	-2.0	-94.72	293.29	-4.08	-98.80
C[C@H](CNC(=O)COC1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064598	0	37	-1.0	-47.59	325.09	-2.35	-49.94
C[C@H](CNC(=O)[C@@]12C[C@@H]1[C@H](C)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005064599	0	39	-1.0	-44.12	331.34	1.33	-42.79
CNC(=O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064600	0	35	-1.0	-53.30	308.80	-2.20	-55.50
C[C@H](CNC(=O)C1=NN=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064601	0	34	-1.0	-52.20	304.57	0.15	-52.05
C[C@H](CNC(=O)[C@H]1CCO[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064602	0	39	-1.0	-45.82	324.94	-1.23	-47.05
C[C@H](CNC(=O)C1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064603	0	35	-1.0	-45.37	306.08	0.13	-45.24
CCC(O)C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064604	0	41	-1.0	-45.94	338.02	-1.36	-47.30
C[C@H](CNC(=O)CC1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064605	0	36	-1.0	-50.50	318.06	-3.93	-54.43
C[C@H](CNC(=O)C(O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064606	0	39	-1.0	-44.40	327.06	-1.00	-45.40
C[C@H](CNC(=O)CC1C[NH+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064607	0	41	0.0	-63.80	339.73	0.30	-63.50
C[C@H](CNC(=O)C1CC(C)(O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064608	0	39	-1.0	-46.25	330.36	-2.80	-49.05
C=CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064609	0	32	-1.0	-44.49	285.62	-0.71	-45.20
C[C@H](CNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064610	0	37	0.0	-62.94	308.30	-0.54	-63.48
C[C@H](CNC(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064610	1	36	-1.0	-44.68	306.21	-2.92	-47.60
C[C@H](CNC(=O)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005064611	0	29	-1.0	-51.14	272.17	-1.58	-52.72
C[C@H](CNC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064612	0	32	-1.0	-44.16	290.02	-0.39	-44.55
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064613	0	40	0.0	-60.43	326.19	-0.12	-60.55
C[C@H](CNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064613	1	39	-1.0	-44.41	320.37	-2.54	-46.95
C[C@H](CNC(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005064614	0	31	-1.0	-44.18	279.30	-1.11	-45.29
C[C@H](CNC(=O)C1=CC(F)=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064615	0	32	-1.0	-45.39	297.03	-2.66	-48.05
C[C@H](CNC(=O)C1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064616	0	36	-1.0	-43.98	308.35	0.54	-43.44
CCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005064617	0	39	-1.0	-45.10	325.60	-1.25	-46.35
C#CC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064618	0	36	-1.0	-45.70	316.96	0.40	-45.30
C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064619	0	35	-1.0	-51.28	308.94	-5.81	-57.09
C[C@H](CNC(=O)CN1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064620	0	40	-1.0	-45.33	336.53	-2.33	-47.66
C[C@H](CNC(=O)C[N@@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064620	1	41	0.0	-60.57	339.63	0.55	-60.02
C[C@H](CNC(=O)C[N@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064620	1	41	0.0	-60.29	334.08	0.28	-60.01
C[C@H](CNC(=O)C=CC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064621	0	41	0.0	-66.53	345.52	0.71	-65.82
C[C@H](CNC(=O)C1=CCSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064622	0	34	-1.0	-45.24	308.32	0.33	-44.91
CO[C@H](C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064623	0	35	-1.0	-46.32	305.21	-1.19	-47.51
CC(=O)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064624	0	36	-1.0	-47.20	317.41	-0.57	-47.77
C[C@H](CNC(=O)C1CCCC1O)NC(=O)C1=CC(=O)[N-]O1	REAL250005064625	0	39	-1.0	-46.38	326.06	-2.61	-48.99
C[C@@H](O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064626	0	32	-1.0	-44.65	283.50	-3.38	-48.03
CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064627	0	43	0.0	-60.46	339.88	0.56	-59.90
C[C@H](CNC(=O)CN1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064628	0	37	-1.0	-45.51	314.07	-3.33	-48.84
C[C@H](CNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064628	1	38	0.0	-62.40	318.39	-0.12	-62.52
CC(C)C(O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064629	0	41	-1.0	-46.25	341.55	-1.60	-47.85
C[C@H](CNC(=O)C1COC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064630	0	35	-1.0	-48.77	309.18	-0.83	-49.60
CC(O)C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064631	0	38	-1.0	-45.69	319.80	-2.18	-47.87
C[C@H](CNC(=O)C1(O)CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064632	0	37	-1.0	-45.59	314.91	-5.00	-50.59
CCC(C)(C#N)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064633	0	38	-1.0	-45.71	327.30	0.01	-45.70
C=C1CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064634	0	33	-1.0	-44.50	296.78	0.09	-44.41
C[C@H](CNC(=O)CC1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064635	0	39	-1.0	-44.34	328.75	1.27	-43.07
C[C@H](CNC(=O)CC1OCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064636	0	37	-1.0	-46.76	319.84	-1.78	-48.54
COC(OC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064637	0	36	-1.0	-46.19	310.84	-2.21	-48.40
C[C@H](CNC(=O)CC1(C#N)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064638	0	36	-1.0	-50.86	320.69	0.36	-50.50
COC(=O)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064639	0	37	-1.0	-46.74	328.17	-0.46	-47.20
C[C@H](CNC(=O)C1=CCCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064640	0	37	-1.0	-46.09	315.43	-1.12	-47.21
C[C@H](CNC(=O)C(O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064641	0	41	-1.0	-44.46	333.94	-2.25	-46.71
C[C@H](CNC(=O)C1(C)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064642	0	36	-1.0	-44.05	308.42	-2.15	-46.20
C[C@H](CNC(=O)C1=CCCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064643	0	37	-1.0	-45.02	317.10	-0.55	-45.57
C[C@H](CNC(=O)C1(C)CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064644	0	39	-1.0	-44.67	326.79	-1.05	-45.72
C[C@H](CNC(=O)C1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064645	0	33	-1.0	-50.35	297.09	-4.69	-55.04
C[C@H](CNC(=O)[C@@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064646	0	33	-1.0	-49.91	297.66	-4.55	-54.46
C[C@H](CNC(=O)C1=CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064647	0	39	-1.0	-44.12	324.11	1.27	-42.85
CCC[C@H](O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064648	0	38	-1.0	-44.68	325.49	-1.78	-46.46
C[C@H](CNC(=O)C1(C)CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064649	0	41	-1.0	-43.48	332.67	1.00	-42.48
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005064650	0	40	-1.0	-44.92	332.43	-2.42	-47.34
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005064650	1	41	0.0	-59.78	336.50	0.53	-59.25
C[C@H](CNC(=O)[C@H]1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005064651	0	32	-1.0	-45.33	296.22	-0.31	-45.64
C[C@H](CNC(=O)CC1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064652	0	35	-1.0	-48.78	312.57	-1.78	-50.56
C[C@H](CNC(=O)C1(C)CC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064653	0	37	-1.0	-45.60	320.06	-0.34	-45.94
C[C@H](CNC(=O)CC1=CNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064654	0	36	-1.0	-47.74	317.43	-0.36	-48.10
CCCC(C)(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064655	0	41	-1.0	-43.87	341.51	-2.37	-46.24
CCOC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064656	0	41	-1.0	-46.19	339.02	0.21	-45.98
C[C@H](CNC(=O)CC1CC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064657	0	37	-1.0	-48.08	323.36	-0.10	-48.18
C[C@H](CNC(=O)CC1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064658	0	36	-1.0	-46.30	320.40	0.43	-45.87
C[C@H](CNC(=O)C1(F)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064659	0	35	-1.0	-44.63	305.90	0.05	-44.58
C[C@H](CNC(=O)C1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064660	0	32	-1.0	-46.84	290.03	-1.40	-48.24
CC1=NOC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005064661	0	33	-1.0	-47.41	303.64	-3.48	-50.89
CCOC(=O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064662	0	37	-1.0	-50.18	326.52	0.64	-49.54
C[C@H](CNC(=O)C1CC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064663	0	34	-1.0	-46.46	302.17	-0.89	-47.35
C[C@H](CNC(=O)CN1C=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064664	0	34	-1.0	-55.18	306.79	-2.12	-57.30
C=CC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005064665	0	39	-1.0	-43.70	326.76	1.56	-42.14
C[C@H](CNC(=O)C1(O)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064666	0	34	-1.0	-46.00	298.30	-5.28	-51.28
CCC(C)C(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064667	0	41	-1.0	-43.84	338.29	-1.19	-45.03
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005064668	0	36	-1.0	-45.03	315.49	0.98	-44.05
CC1=CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064669	0	33	-1.0	-45.24	298.27	0.21	-45.03
C[C@H](CNC(=O)C(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064670	0	35	-1.0	-47.42	305.20	-2.42	-49.84
CC(=O)C1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064671	0	37	-1.0	-46.69	329.00	-0.12	-46.81
CCCC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064672	0	38	-1.0	-44.71	325.49	-1.79	-46.50
CCCCC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064673	0	41	-1.0	-44.73	346.99	-1.01	-45.74
C[C@H](CNC(=O)CSC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064674	0	36	-1.0	-45.64	327.82	0.90	-44.74
CCC(O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064675	0	38	-1.0	-46.44	324.88	-2.10	-48.54
CNC(=O)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005064676	0	38	-1.0	-49.12	332.32	-2.94	-52.06
C[C@H](CNC(=O)CCCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005064677	0	37	-1.0	-44.85	322.30	0.43	-44.42
C[C@H](CNC(=O)C1=CSN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064678	0	31	-1.0	-44.59	294.00	-1.30	-45.89
C[C@H](CNC(=O)C1CCC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064679	0	37	-1.0	-46.83	319.74	-0.26	-47.09
C[C@H](CNC(=O)[C@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064680	0	33	-1.0	-50.18	297.65	-4.57	-54.75
C[C@H](CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064681	0	34	-1.0	-52.95	307.68	0.60	-52.35
COC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064682	0	36	-1.0	-44.94	308.00	-1.69	-46.63
C[C@H](CNC(=O)C1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064683	0	33	-1.0	-45.98	298.67	-0.41	-46.39
C[C@H](CNC(=O)C1=CN=C(N)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064684	0	33	-1.0	-46.35	302.26	-6.16	-52.51
C[C@H](CNC(=O)CC1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064685	0	39	-1.0	-45.18	334.27	-2.56	-47.74
C[C@H](CNC(=O)C1CCC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064686	0	37	-1.0	-46.24	318.31	0.40	-45.84
C[C@H](CNC(=O)C1(O)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005064687	0	39	-1.0	-45.06	324.00	-2.42	-47.48
CCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005064688	0	39	-1.0	-44.63	325.61	-1.27	-45.90
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCCO1	REAL250005064689	0	39	-1.0	-44.48	326.78	-1.05	-45.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N1	REAL250005064690	0	33	-1.0	-52.17	297.60	-4.84	-57.01
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCO[C@H]1C	REAL250005064691	0	39	-1.0	-47.03	324.98	-1.26	-48.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(F)C1	REAL250005064692	0	35	-1.0	-46.55	306.05	0.10	-46.45
CCC(O)C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064693	0	41	-1.0	-46.72	337.68	-1.15	-47.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC(=O)N1	REAL250005064694	0	36	-1.0	-52.37	318.07	-3.95	-56.32
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CCC1	REAL250005064695	0	39	-1.0	-45.13	329.17	-1.27	-46.40
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NO1	REAL250005064696	0	31	-1.0	-46.27	286.81	-1.55	-47.82
COCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064697	0	35	-1.0	-45.49	306.38	-2.20	-47.69
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005064698	0	32	-1.0	-45.09	283.23	-0.50	-45.59
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005064699	0	35	-1.0	-44.85	299.44	0.00	-44.85
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1	REAL250005064700	0	38	-1.0	-44.75	316.50	0.60	-44.15
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOCC1	REAL250005064701	0	39	-1.0	-46.50	324.99	-1.14	-47.64
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005064702	0	35	-1.0	-45.34	303.65	0.27	-45.07
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)F	REAL250005064703	0	34	-1.0	-45.43	299.53	-0.61	-46.04
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(F)F	REAL250005064704	0	31	-1.0	-43.58	284.56	-1.08	-44.66
COCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064705	0	32	-1.0	-48.12	285.43	-1.91	-50.03
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC=N1	REAL250005064706	0	34	-1.0	-47.14	305.30	-0.67	-47.81
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=C1	REAL250005064707	0	34	-1.0	-46.57	303.28	-0.73	-47.30
CCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064708	0	34	-1.0	-45.07	294.20	-0.51	-45.58
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN=C1	REAL250005064709	0	34	-1.0	-47.26	303.08	-0.73	-47.99
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CO1	REAL250005064710	0	32	-1.0	-46.43	292.32	-0.95	-47.38
CC(=O)NCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064711	0	35	-1.0	-48.63	311.37	-3.58	-52.21
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC=C1	REAL250005064712	0	35	-1.0	-46.16	308.10	1.04	-45.12
CC(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064713	0	37	-1.0	-44.68	310.93	0.09	-44.59
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCCC1	REAL250005064714	0	41	-1.0	-44.70	333.89	1.29	-43.41
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CC=N1	REAL250005064715	0	33	-1.0	-46.92	300.10	-2.55	-49.47
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCCC1	REAL250005064716	0	41	-1.0	-44.82	335.91	1.34	-43.48
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CS1	REAL250005064717	0	32	-1.0	-45.35	300.24	0.04	-45.31
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005064718	0	35	-1.0	-45.10	304.60	0.17	-44.93
CCOCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064719	0	35	-1.0	-48.06	307.28	-0.95	-49.01
CC(C)=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064720	0	35	-1.0	-44.72	302.19	0.05	-44.67
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCCO1	REAL250005064721	0	35	-1.0	-49.92	306.25	-1.33	-51.25
CC(=O)NC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064722	0	38	-1.0	-47.56	330.94	-2.74	-50.30
CC1=CC=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005064723	0	35	-1.0	-46.19	314.24	-0.13	-46.32
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCO1	REAL250005064724	0	36	-1.0	-47.24	308.85	-0.68	-47.92
CSCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064725	0	32	-1.0	-47.23	295.77	-0.85	-48.08
CC1=CC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005064726	0	34	-1.0	-47.18	308.74	-0.88	-48.06
CSCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064727	0	35	-1.0	-45.16	317.44	-0.03	-45.19
CC(C)CCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064728	0	40	-1.0	-44.97	333.27	0.78	-44.19
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=C1	REAL250005064729	0	32	-1.0	-45.94	299.44	-0.04	-45.98
CC1=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005064730	0	35	-1.0	-46.05	309.77	-0.18	-46.23
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C=CCC1	REAL250005064731	0	39	-1.0	-45.64	328.54	1.27	-44.37
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NN=N1	REAL250005064732	0	33	-1.0	-56.85	301.52	-1.73	-58.58
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)N=C1	REAL250005064733	0	35	-1.0	-48.97	313.14	-1.21	-50.18
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CCC1	REAL250005064734	0	39	-1.0	-44.68	326.14	1.19	-43.49
CC1=NOC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005064735	0	34	-1.0	-46.42	308.76	-0.93	-47.35
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1	REAL250005064736	0	33	-1.0	-47.42	295.21	-1.17	-48.59
CC(=O)CCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064737	0	39	-1.0	-52.65	338.91	0.19	-52.46
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=C1	REAL250005064738	0	32	-1.0	-48.36	291.49	-0.99	-49.35
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=CC=N1	REAL250005064739	0	35	-1.0	-51.14	312.94	-0.84	-51.98
CC1=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005064740	0	35	-1.0	-46.30	310.21	-0.27	-46.57
CCCCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064741	0	40	-1.0	-45.03	337.20	1.06	-43.97
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C	REAL250005064742	0	40	-1.0	-43.94	325.90	0.62	-43.32
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1C	REAL250005064743	0	36	-1.0	-46.66	313.48	0.47	-46.19
CCCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064744	0	37	-1.0	-45.06	315.70	0.27	-44.79
CC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064745	0	34	-1.0	-44.88	292.28	-0.61	-45.49
CCC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064746	0	37	-1.0	-44.71	310.38	0.05	-44.66
CC(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064747	0	38	-1.0	-50.64	329.75	-1.24	-51.88
CCC(CC)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064748	0	40	-1.0	-44.09	326.56	0.52	-43.57
CC(C)OCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064749	0	41	-1.0	-45.46	348.51	-0.49	-45.95
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COCCO1	REAL250005064750	0	37	-1.0	-48.38	317.64	-1.89	-50.27
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1	REAL250005064751	0	32	-1.0	-46.77	289.91	-2.48	-49.25
CSC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064752	0	35	-1.0	-46.55	314.22	-0.27	-46.82
CCOC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064753	0	38	-1.0	-47.55	327.07	-0.25	-47.80
CCOCCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064754	0	41	-1.0	-47.38	349.73	-0.47	-47.85
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COCC1CC1	REAL250005064755	0	39	-1.0	-48.27	338.95	0.64	-47.63
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCCO1	REAL250005064756	0	39	-1.0	-47.56	328.74	-0.34	-47.90
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1	REAL250005064757	0	32	-1.0	-48.01	290.20	-2.52	-50.53
COCCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064758	0	38	-1.0	-47.41	327.88	-1.44	-48.85
CCOC1CC1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064759	0	39	-1.0	-44.81	338.79	-0.61	-45.42
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSN=C1	REAL250005064760	0	30	-1.0	-44.69	289.05	-2.99	-47.68
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NS1	REAL250005064761	0	30	-1.0	-46.05	290.38	-2.35	-48.40
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC=C1	REAL250005064762	0	31	-1.0	-47.91	286.80	-1.71	-49.62
CC(=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005064763	0	39	-1.0	-44.50	329.62	1.49	-43.01
CC1=NNC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005064764	0	35	-1.0	-46.95	311.86	-1.91	-48.86
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CS1	REAL250005064765	0	31	-1.0	-46.20	295.25	-1.81	-48.01
CCC=C(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064766	0	38	-1.0	-45.13	321.41	0.81	-44.32
CC1=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005064767	0	34	-1.0	-47.18	306.68	-3.51	-50.69
CCOC(CC)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064768	0	41	-1.0	-46.99	343.42	0.44	-46.55
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(F)(F)F	REAL250005064769	0	31	-1.0	-48.00	290.12	-0.85	-48.85
COC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064770	0	35	-1.0	-47.81	305.22	-1.20	-49.01
CC(C)OCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064771	0	38	-1.0	-47.85	327.55	-0.22	-48.07
CCCOCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064772	0	38	-1.0	-47.89	328.78	-0.15	-48.04
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1	REAL250005064773	0	36	-1.0	-46.06	306.64	-1.99	-48.05
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1C	REAL250005064774	0	35	-1.0	-46.58	308.54	-1.23	-47.81
CCC(OC)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064775	0	38	-1.0	-47.05	321.76	-0.50	-47.55
COCCCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064776	0	41	-1.0	-46.12	349.38	-0.65	-46.77
CCCC(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064777	0	43	-1.0	-44.60	350.66	1.51	-43.09
COC(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064778	0	38	-1.0	-45.81	325.52	-0.69	-46.50
C=CCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064779	0	35	-1.0	-44.91	307.02	0.05	-44.86
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCCC1	REAL250005064780	0	37	-1.0	-45.24	314.29	-0.65	-45.89
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCOC1	REAL250005064781	0	39	-1.0	-45.53	324.93	-1.11	-46.64
CCOCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064782	0	38	-1.0	-45.48	328.23	-1.23	-46.71
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=N1	REAL250005064783	0	31	-1.0	-46.94	295.34	-1.96	-48.90
COCC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064784	0	38	-1.0	-45.18	325.09	-1.48	-46.66
C=CCOCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064785	0	36	-1.0	-48.21	320.19	-0.37	-48.58
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=N1	REAL250005064786	0	31	-1.0	-47.54	287.11	-4.37	-51.91
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC(=O)N1	REAL250005064787	0	36	-1.0	-52.42	315.06	-3.39	-55.81
CC1=NC=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005064788	0	35	-1.0	-48.12	312.02	-1.57	-49.69
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+]1C	REAL250005064789	0	41	0.0	-59.96	334.63	0.53	-59.43
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C	REAL250005064789	1	41	0.0	-59.91	328.32	0.01	-59.90
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCN1C	REAL250005064789	1	40	-1.0	-46.44	333.52	-1.81	-48.25
CCC(=O)NCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064790	0	38	-1.0	-48.29	331.67	-2.77	-51.06
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(C)(C)C	REAL250005064791	0	41	-1.0	-44.97	344.20	1.15	-43.82
CCCC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064792	0	40	-1.0	-44.71	331.88	0.80	-43.91
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CC1	REAL250005064793	0	38	-1.0	-45.01	325.82	1.06	-43.95
CCCCOCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064794	0	41	-1.0	-47.82	350.28	0.64	-47.18
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NOC=C1	REAL250005064795	0	34	-1.0	-50.70	306.96	-0.93	-51.63
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCOC1	REAL250005064796	0	39	-1.0	-47.32	326.92	-1.21	-48.53
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CC1	REAL250005064797	0	36	-1.0	-44.83	308.25	0.50	-44.33
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NNC=C1	REAL250005064798	0	35	-1.0	-50.79	311.81	-1.84	-52.63
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCC1	REAL250005064799	0	38	-1.0	-45.04	320.61	0.79	-44.25
CC1=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005064800	0	34	-1.0	-46.98	305.08	-3.64	-50.62
CC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005064801	0	38	-1.0	-44.62	322.18	0.89	-43.73
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCCC21	REAL250005064802	0	39	-1.0	-44.88	321.20	1.55	-43.33
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CCC1	REAL250005064803	0	41	-1.0	-45.00	342.44	1.58	-43.42
CC=C(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064804	0	35	-1.0	-45.33	301.02	0.04	-45.29
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)C1	REAL250005064805	0	38	-1.0	-44.66	319.19	0.61	-44.05
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCC1	REAL250005064806	0	36	-1.0	-45.40	311.87	0.73	-44.67
CCC(=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005064807	0	41	-1.0	-43.96	342.46	1.53	-42.43
CC(C)=C(F)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064808	0	35	-1.0	-43.99	306.54	0.10	-43.89
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCC1	REAL250005064809	0	36	-1.0	-45.29	309.33	0.61	-44.68
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)C=C1	REAL250005064810	0	36	-1.0	-48.09	318.13	0.63	-47.46
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)C=N1	REAL250005064811	0	35	-1.0	-49.97	313.67	0.26	-49.71
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCCO1	REAL250005064812	0	39	-1.0	-47.69	326.64	0.11	-47.58
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(C)C	REAL250005064813	0	38	-1.0	-44.38	319.81	0.72	-43.66
CCC(C)OCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064814	0	41	-1.0	-47.79	348.32	0.59	-47.20
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(C)C	REAL250005064815	0	38	-1.0	-44.48	319.82	0.72	-43.76
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCO1	REAL250005064816	0	36	-1.0	-47.92	308.93	-0.74	-48.66
C#CCCCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064817	0	39	-1.0	-46.22	342.98	1.58	-44.64
CCNC(=O)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064818	0	38	-1.0	-54.71	330.28	-1.40	-56.11
COC(C)CCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064819	0	41	-1.0	-46.66	347.42	-0.66	-47.32
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN=C1	REAL250005064820	0	33	-1.0	-46.64	298.03	-0.91	-47.55
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCOCC1	REAL250005064821	0	37	-1.0	-46.64	315.42	-1.12	-47.76
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=COC=C1	REAL250005064822	0	35	-1.0	-48.13	313.46	-0.33	-48.46
CC1=NC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005064823	0	34	-1.0	-46.94	309.10	-3.62	-50.56
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)NC(N)=O	REAL250005064824	0	37	-1.0	-48.38	323.86	-5.51	-53.89
CC1=CC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005064825	0	35	-1.0	-48.29	313.39	-0.16	-48.45
CCC(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064826	0	40	-1.0	-44.60	329.16	0.75	-43.85
C#CCCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064827	0	36	-1.0	-47.50	321.49	0.79	-46.71
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)O	REAL250005064828	0	38	-1.0	-44.29	317.17	-1.85	-46.14
COC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005064829	0	39	-1.0	-46.00	337.90	0.35	-45.65
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1C	REAL250005064830	0	34	-1.0	-48.28	303.53	-2.62	-50.90
CCCCC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064831	0	43	-1.0	-44.57	353.37	1.58	-42.99
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(C)C1	REAL250005064832	0	41	-1.0	-44.81	339.73	1.10	-43.71
CC(C)[C@@H](O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064833	0	38	-1.0	-45.77	319.88	-1.83	-47.60
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)N=N1	REAL250005064834	0	34	-1.0	-50.25	309.16	-2.65	-52.90
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)C=N1	REAL250005064835	0	34	-1.0	-52.88	308.60	-0.52	-53.40
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(F)F	REAL250005064836	0	32	-1.0	-47.02	294.71	-0.30	-47.32
CCC(C)=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064837	0	38	-1.0	-44.42	323.71	0.82	-43.60
CC(C)C#CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064838	0	36	-1.0	-46.47	322.10	0.77	-45.70
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CCC1	REAL250005064839	0	39	-1.0	-46.08	327.41	-1.13	-47.21
CC1=CNN=C1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064840	0	35	-1.0	-48.59	309.36	-1.81	-50.40
CC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005064841	0	39	-1.0	-45.56	329.51	1.49	-44.07
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1CC1	REAL250005064842	0	34	-1.0	-46.66	311.77	0.94	-45.72
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC(C)(C)C	REAL250005064843	0	39	-1.0	-46.32	342.23	1.31	-45.01
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250005064844	0	34	-1.0	-46.17	312.18	-0.15	-46.32
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCNC(N)=O	REAL250005064845	0	37	-1.0	-54.61	326.44	-5.75	-60.36
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(C)C1	REAL250005064846	0	41	-1.0	-44.76	337.29	1.21	-43.55
C#CCOCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064847	0	37	-1.0	-47.04	334.02	-0.69	-47.73
C#CCOC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064848	0	37	-1.0	-49.98	332.86	0.30	-49.68
C=CCC(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064849	0	41	-1.0	-44.39	340.30	1.06	-43.33
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CCC2	REAL250005064850	0	39	-1.0	-44.87	330.54	1.43	-43.44
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(=O)N(C)C	REAL250005064851	0	38	-1.0	-55.10	326.19	-0.31	-55.41
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)C=C1	REAL250005064852	0	35	-1.0	-49.44	313.72	-1.16	-50.60
COCCC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064853	0	41	-1.0	-46.82	344.05	-0.90	-47.72
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1N=CN=N1	REAL250005064854	0	33	-1.0	-52.28	303.03	-2.11	-54.39
CCCC[C@@H](C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064855	0	43	-1.0	-44.56	353.37	1.58	-42.98
CCC(C)(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064856	0	43	-1.0	-43.86	340.13	1.10	-42.76
CC(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064857	0	43	-1.0	-44.24	337.89	0.92	-43.32
C=CC(C)(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064858	0	41	-1.0	-43.69	334.56	1.01	-42.68
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1N=CC=N1	REAL250005064859	0	34	-1.0	-52.13	308.33	-2.49	-54.62
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C1CC1	REAL250005064860	0	39	-1.0	-44.81	336.80	1.74	-43.07
CCC(C)(CC)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064861	0	43	-1.0	-44.57	341.30	0.94	-43.63
C=C(C)CCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064862	0	38	-1.0	-44.70	328.63	0.72	-43.98
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NS1	REAL250005064863	0	31	-1.0	-46.01	295.31	-1.32	-47.33
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1COC2	REAL250005064864	0	37	-1.0	-45.82	319.13	-1.28	-47.10
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005064865	0	35	-1.0	-44.91	300.98	0.11	-44.80
CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064866	0	37	-1.0	-49.73	326.24	-4.93	-54.66
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCO1	REAL250005064867	0	36	-1.0	-48.70	308.71	-0.71	-49.41
CC(CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005064868	0	41	-1.0	-44.36	340.60	1.55	-42.81
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C(N)=O	REAL250005064869	0	38	-1.0	-54.23	322.73	-2.46	-56.69
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C2CC2)CC1	REAL250005064870	0	39	-1.0	-44.56	324.89	1.72	-42.84
COC1CC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005064871	0	39	-1.0	-47.70	332.87	-1.03	-48.73
C=CCCOCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064872	0	39	-1.0	-47.78	341.59	0.42	-47.36
C=CCOC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064873	0	39	-1.0	-47.96	339.98	0.33	-47.63
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSC=C1	REAL250005064874	0	31	-1.0	-46.24	294.58	-1.48	-47.72
CC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005064875	0	41	-1.0	-44.46	338.57	1.41	-43.05
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC(C)C1	REAL250005064876	0	39	-1.0	-45.25	328.07	-1.16	-46.41
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC(N)=O	REAL250005064877	0	38	-1.0	-54.75	331.89	-3.66	-58.41
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCCC1	REAL250005064878	0	38	-1.0	-43.11	321.91	0.60	-42.51
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1C	REAL250005064879	0	35	-1.0	-48.87	308.62	0.17	-48.70
CC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005064880	0	43	-1.0	-43.62	338.18	0.99	-42.63
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNN=C1	REAL250005064881	0	31	-1.0	-45.79	285.62	-3.92	-49.71
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1	REAL250005064881	1	31	-1.0	-47.44	284.71	-3.86	-51.30
CC1=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005064882	0	35	-1.0	-48.51	308.02	-0.80	-49.31
COCC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064883	0	39	-1.0	-46.95	339.14	-0.96	-47.91
COCC(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064884	0	41	-1.0	-44.79	342.74	-0.84	-45.63
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)N=C1	REAL250005064885	0	34	-1.0	-47.09	308.68	-2.82	-49.91
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(F)F	REAL250005064886	0	34	-1.0	-46.48	306.87	-0.23	-46.71
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C)CC1	REAL250005064887	0	38	-1.0	-44.87	323.71	0.76	-44.11
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CCF)CC1	REAL250005064888	0	38	-1.0	-44.56	332.44	0.83	-43.73
CCC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005064889	0	43	0.0	-62.94	341.93	0.62	-62.32
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSN=N1	REAL250005064890	0	30	-1.0	-47.46	290.08	-2.59	-50.05
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCCC1	REAL250005064891	0	41	-1.0	-44.77	334.04	1.14	-43.63
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CO1	REAL250005064892	0	31	-1.0	-47.10	287.11	-4.26	-51.36
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC(=O)N1	REAL250005064893	0	36	-1.0	-51.45	315.04	-3.38	-54.83
CCC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064894	0	43	0.0	-63.12	347.52	0.87	-62.25
CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064894	1	43	0.0	-63.26	347.52	0.86	-62.40
CC1=NNC=C1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064895	0	35	-1.0	-48.77	308.30	-1.93	-50.70
CC1=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005064896	0	34	-1.0	-47.22	302.98	-3.25	-50.47
CC1=NNN=C1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064896	1	34	-1.0	-45.67	304.22	-3.33	-49.00
CCCC(OC)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064897	0	41	-1.0	-46.94	347.74	0.44	-46.50
C=C(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064898	0	41	-1.0	-44.45	336.64	0.89	-43.56
CC(CC(N)=O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064899	0	38	-1.0	-47.79	325.72	-3.82	-51.61
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCNC1=O	REAL250005064900	0	36	-1.0	-51.23	311.33	-3.50	-54.73
C=CC(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064901	0	38	-1.0	-44.72	319.90	0.36	-44.36
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL250005064902	0	41	0.0	-59.96	333.32	0.52	-59.44
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@H+]1C	REAL250005064902	1	41	0.0	-59.87	328.31	0.02	-59.85
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCN1C	REAL250005064902	1	40	-1.0	-46.46	333.67	-1.74	-48.20
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005064903	0	35	-1.0	-44.95	304.61	0.17	-44.78
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCC1	REAL250005064904	0	38	-1.0	-44.85	316.63	0.53	-44.32
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)CO1	REAL250005064905	0	39	-1.0	-48.27	329.32	-0.08	-48.35
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1CCC2	REAL250005064906	0	39	-1.0	-45.02	327.90	1.33	-43.69
CC[NH+](CC)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064907	0	43	0.0	-60.92	344.39	0.82	-60.10
CCC(F)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064908	0	34	-1.0	-44.94	300.48	-0.46	-45.40
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCF	REAL250005064909	0	34	-1.0	-47.29	300.80	-0.37	-47.66
CC1=COC=C1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064910	0	35	-1.0	-48.00	310.34	-0.30	-48.30
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005064911	0	35	-1.0	-45.07	304.60	0.17	-44.90
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)C=CCC1	REAL250005064912	0	39	-1.0	-44.46	327.15	1.05	-43.41
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)N=N1	REAL250005064913	0	33	-1.0	-49.91	303.56	-3.24	-53.15
CC(C)C(F)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064914	0	37	-1.0	-46.31	314.99	0.13	-46.18
C=CC(C)C(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064915	0	41	-1.0	-44.32	339.70	1.14	-43.18
CCC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005064916	0	41	-1.0	-44.31	336.75	0.99	-43.32
CC#CCCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064917	0	39	-1.0	-48.36	343.31	1.75	-46.61
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21	REAL250005064918	0	37	-1.0	-44.81	318.76	-1.13	-45.94
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC1CC1	REAL250005064919	0	41	-1.0	-45.23	347.32	1.84	-43.39
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1(C)C	REAL250005064920	0	41	-1.0	-44.28	335.23	1.07	-43.21
CC1=COC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005064921	0	35	-1.0	-46.27	314.22	-0.26	-46.53
C=CC(CC)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064922	0	41	-1.0	-44.76	344.25	1.32	-43.44
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C1CC1	REAL250005064923	0	41	-1.0	-45.14	334.29	1.20	-43.94
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1	REAL250005064924	0	39	-1.0	-44.73	327.18	1.34	-43.39
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CON=C1	REAL250005064925	0	34	-1.0	-48.89	307.70	-0.89	-49.78
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)(C)C	REAL250005064926	0	43	-1.0	-44.88	349.44	1.18	-43.70
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=N1	REAL250005064927	0	33	-1.0	-46.15	300.35	-0.88	-47.03
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC=CO1	REAL250005064928	0	35	-1.0	-48.80	313.47	-0.15	-48.95
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CC=N1	REAL250005064929	0	33	-1.0	-50.67	300.92	-1.47	-52.14
CCC(C)CCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064930	0	43	-1.0	-44.91	351.50	1.44	-43.47
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN=N1	REAL250005064931	0	33	-1.0	-49.26	300.37	-1.83	-51.09
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1C	REAL250005064932	0	39	-1.0	-47.07	321.67	-1.23	-48.30
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCOC1	REAL250005064933	0	39	-1.0	-45.82	324.71	-1.35	-47.17
CCC(CC)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064934	0	43	-1.0	-44.41	347.19	1.36	-43.05
CCC(C)C(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064935	0	43	-1.0	-44.10	344.29	1.25	-42.85
CCCC(CC)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064936	0	43	-1.0	-44.67	347.74	1.31	-43.36
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(F)C1	REAL250005064937	0	38	-1.0	-48.51	322.18	0.69	-47.82
C=CCCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064938	0	38	-1.0	-45.38	328.51	0.84	-44.54
CCC(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064939	0	40	-1.0	-44.71	325.36	0.46	-44.25
CCCC(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064940	0	43	-1.0	-44.71	346.86	1.23	-43.48
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C(N)=O)CC1	REAL250005064941	0	36	-1.0	-48.19	322.45	-4.01	-52.20
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005064942	0	29	-1.0	-46.34	268.05	-5.93	-52.27
CC1=NOC=C1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064943	0	34	-1.0	-48.02	305.51	-0.92	-48.94
CCC1(C)CC1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064944	0	41	-1.0	-44.53	336.89	1.31	-43.22
COCC(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064945	0	41	-1.0	-46.56	343.87	-0.80	-47.36
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1(C)CC1	REAL250005064946	0	41	-1.0	-45.12	342.17	1.42	-43.70
CC1=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005064947	0	34	-1.0	-46.06	305.32	-0.85	-46.91
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC=CC1	REAL250005064948	0	39	-1.0	-45.11	326.67	1.06	-44.05
COC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005064949	0	41	-1.0	-42.37	341.55	-0.55	-42.92
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1C	REAL250005064950	0	38	-1.0	-45.20	325.02	0.94	-44.26
C=CC(C)(CC)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064951	0	41	-1.0	-44.55	329.98	1.52	-43.03
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[C@H]1CCOC1	REAL250005064952	0	39	-1.0	-46.40	327.21	-1.16	-47.56
CCC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064953	0	38	-1.0	-44.63	326.02	0.68	-43.95
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(F)F	REAL250005064954	0	34	-1.0	-49.92	304.61	-0.31	-50.23
CCCC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064955	0	41	-1.0	-44.46	347.34	1.47	-42.99
CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064956	0	41	-1.0	-44.80	347.51	1.71	-43.09
CC(C)C1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064957	0	41	-1.0	-44.55	337.20	1.89	-42.66
C=C1CC(C)(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005064958	0	39	-1.0	-44.61	330.71	1.05	-43.56
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CC1	REAL250005064959	0	35	-1.0	-47.93	312.12	0.12	-47.81
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2(CC2)C1	REAL250005064960	0	39	-1.0	-44.83	331.80	1.40	-43.43
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005064961	0	37	-1.0	-44.65	311.14	-0.04	-44.69
CCCCCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064962	0	43	-1.0	-45.03	358.70	1.84	-43.19
CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064963	0	43	0.0	-64.54	348.39	0.66	-63.88
CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064963	1	43	0.0	-64.43	348.39	0.65	-63.78
CC1=CON=C1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064964	0	34	-1.0	-47.64	305.63	-1.04	-48.68
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@H]1C(N)=O	REAL250005064965	0	36	-1.0	-49.31	318.99	-3.82	-53.13
CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005064966	0	43	0.0	-61.94	338.95	0.45	-61.49
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CCC1	REAL250005064967	0	38	-1.0	-45.30	320.12	0.80	-44.50
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005064968	0	34	-1.0	-53.00	307.72	0.57	-52.43
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NNC=N1	REAL250005064969	0	34	-1.0	-53.16	307.33	-1.43	-54.59
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NN=CN1	REAL250005064969	1	34	-1.0	-55.59	305.94	-0.89	-56.48
CC(C)C(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064970	0	40	-1.0	-44.18	326.28	0.62	-43.56
CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064971	0	38	-1.0	-44.87	326.01	0.93	-43.94
CC(C)CCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064972	0	43	-1.0	-44.90	354.77	1.56	-43.34
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CC2	REAL250005064973	0	36	-1.0	-45.26	315.67	0.97	-44.29
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CNC=N1	REAL250005064974	0	35	-1.0	-51.53	311.24	-0.61	-52.14
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CN=CN1	REAL250005064974	1	35	-1.0	-50.27	312.10	-0.81	-51.08
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC(=O)N1	REAL250005064975	0	33	-1.0	-52.72	297.17	-4.92	-57.64
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCCC1	REAL250005064976	0	39	-1.0	-45.04	324.06	1.29	-43.75
CC(=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005064977	0	41	-1.0	-44.28	340.26	1.29	-42.99
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC(=O)N1	REAL250005064978	0	33	-1.0	-51.99	297.17	-4.93	-56.92
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005064979	0	34	-1.0	-53.00	307.72	0.57	-52.43
COC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005064980	0	36	-1.0	-43.40	314.95	-1.64	-45.04
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CSC1	REAL250005064981	0	33	-1.0	-45.62	299.32	-0.35	-45.97
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCCC1	REAL250005064982	0	39	-1.0	-46.73	323.98	-2.41	-49.14
C=CCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064983	0	32	-1.0	-45.25	285.62	-0.73	-45.98
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005064984	0	37	0.0	-63.77	308.30	-0.55	-64.32
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005064984	1	36	-1.0	-45.67	306.21	-2.93	-48.60
C=CC(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064985	0	33	-1.0	-45.23	296.72	-2.87	-48.10
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCN=[N+]=[N-]	REAL250005064986	0	36	-1.0	-47.44	324.34	-3.85	-51.29
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1OCC1(C)C	REAL250005064987	0	39	-1.0	-47.53	326.94	-0.39	-47.92
CC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005064988	0	40	-1.0	-46.33	332.31	-2.62	-48.95
CC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005064988	1	41	0.0	-59.93	338.30	0.38	-59.55
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(F)F	REAL250005064989	0	32	-1.0	-48.31	296.23	-0.35	-48.66
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CNN=C1	REAL250005064990	0	35	-1.0	-48.83	312.57	-1.81	-50.64
CC(C)NC(=O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064991	0	38	-1.0	-46.11	332.10	-2.77	-48.88
CC1=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005064992	0	37	-1.0	-45.02	316.31	-0.60	-45.62
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCCC1	REAL250005064993	0	39	-1.0	-45.10	328.13	1.34	-43.76
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)C1CC1	REAL250005064994	0	41	0.0	-61.23	337.70	0.86	-60.37
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)C1CC1	REAL250005064994	1	41	0.0	-60.37	337.56	0.86	-59.51
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C1CC1	REAL250005064994	1	40	-1.0	-45.53	331.58	-1.54	-47.07
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)COC1	REAL250005064995	0	37	-1.0	-49.38	316.29	-4.87	-54.25
CC(C)=CCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005064996	0	41	-1.0	-44.92	345.74	1.47	-43.45
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005064997	0	33	-1.0	-46.01	290.06	-2.77	-48.78
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(C)O1	REAL250005064998	0	39	-1.0	-47.21	330.06	0.10	-47.11
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(CO)CC1	REAL250005064999	0	39	-1.0	-45.30	334.27	-2.59	-47.89
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C[NH+](C)C1	REAL250005065000	0	41	0.0	-65.70	339.74	0.27	-65.43
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(O)C1	REAL250005065001	0	39	-1.0	-44.87	331.47	-2.75	-47.62
CO[C@H](C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065002	0	35	-1.0	-47.63	305.22	-1.20	-48.83
CC1=NNC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005065003	0	34	-1.0	-45.95	307.72	-1.95	-47.90
CC1=NN=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005065003	1	34	-1.0	-49.82	307.93	-1.70	-51.52
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC(=O)N1	REAL250005065004	0	32	-1.0	-51.05	295.85	-3.88	-54.93
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC(=O)[N-]1	REAL250005065004	1	31	-2.0	-92.21	293.72	-5.55	-97.76
CC=CC(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065005	0	36	-1.0	-45.09	318.42	-2.01	-47.10
CCCC[C@H](C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065006	0	43	-1.0	-44.76	353.38	1.59	-43.17
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005065007	0	40	0.0	-62.77	326.40	-0.14	-62.91
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005065007	1	39	-1.0	-45.07	320.37	-2.56	-47.63
CCC=C(F)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065008	0	35	-1.0	-43.98	311.55	0.16	-43.82
CCC=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065009	0	35	-1.0	-45.13	307.37	0.12	-45.01
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(=O)N1	REAL250005065011	0	36	-1.0	-52.73	315.01	-3.37	-56.10
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CO	REAL250005065012	0	38	-1.0	-45.29	320.49	-3.24	-48.53
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1C	REAL250005065013	0	35	-1.0	-48.37	309.42	-0.49	-48.86
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(O)C1CC1	REAL250005065014	0	39	-1.0	-47.18	332.10	-1.15	-48.33
CC(=CC1CC1)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065015	0	39	-1.0	-45.18	331.95	1.57	-43.61
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC=CO1	REAL250005065016	0	37	-1.0	-47.80	318.34	0.38	-47.42
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CSC1	REAL250005065017	0	36	-1.0	-47.33	320.07	0.38	-46.95
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCC1	REAL250005065018	0	35	-1.0	-43.31	305.38	0.02	-43.29
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(N)=O	REAL250005065019	0	33	-1.0	-49.33	302.67	-4.63	-53.96
C#CCSCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065020	0	34	-1.0	-49.17	323.01	0.57	-48.60
CC(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065021	0	32	-1.0	-45.47	283.51	-3.40	-48.87
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCC1	REAL250005065022	0	36	-1.0	-44.72	307.54	-3.04	-47.76
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CC1	REAL250005065023	0	36	-1.0	-44.81	311.79	-1.61	-46.42
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NN=C1	REAL250005065024	0	34	-1.0	-55.40	308.20	1.50	-53.90
C=CCC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065025	0	38	-1.0	-44.55	324.88	0.64	-43.91
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005065026	0	32	-1.0	-48.59	287.91	-0.39	-48.98
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005065027	0	40	0.0	-62.77	326.40	-0.14	-62.91
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005065027	1	39	-1.0	-45.07	320.37	-2.56	-47.63
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005065028	0	31	-1.0	-44.96	279.30	-1.13	-46.09
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=CN=N1	REAL250005065029	0	34	-1.0	-54.77	306.82	-2.15	-56.92
C=CC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005065030	0	39	-1.0	-44.00	328.66	0.97	-43.03
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)COC1	REAL250005065031	0	34	-1.0	-45.94	298.30	-5.28	-51.22
CCC(C)C(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065032	0	41	-1.0	-44.65	338.21	-1.25	-45.90
CC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005065033	0	36	-1.0	-45.93	315.49	0.98	-44.95
CCC1CC1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065034	0	38	-1.0	-44.52	320.53	0.95	-43.57
CC(O)CCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065035	0	41	-1.0	-47.57	347.51	-2.24	-49.81
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC1	REAL250005065036	0	36	-1.0	-48.14	314.65	-3.25	-51.39
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005065037	0	32	-1.0	-46.60	292.46	-0.53	-47.13
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)CC1CC1	REAL250005065038	0	38	-1.0	-46.80	332.39	1.10	-45.70
CCC(CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)OC	REAL250005065039	0	41	-1.0	-46.62	341.30	-0.02	-46.64
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(Cl)CC1	REAL250005065040	0	33	-1.0	-46.98	310.80	0.52	-46.46
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](F)C2	REAL250005065041	0	36	-1.0	-46.67	318.27	0.79	-45.88
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCOC1	REAL250005065042	0	37	-1.0	-45.95	315.42	-1.11	-47.06
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C(C)(C)C	REAL250005065043	0	41	-1.0	-45.39	333.65	-2.23	-47.62
C#CCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065044	0	33	-1.0	-45.63	299.98	0.01	-45.62
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1	REAL250005065045	0	37	-1.0	-45.91	314.07	-3.34	-49.25
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005065045	1	38	0.0	-63.08	318.39	-0.13	-63.21
CC(C)C(O)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065046	0	41	-1.0	-47.34	339.31	-1.41	-48.75
CCCC(C)(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065047	0	41	-1.0	-43.93	341.31	-2.42	-46.35
CCOC(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065048	0	41	-1.0	-47.81	339.01	0.21	-47.60
C#C[C@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065049	0	34	-1.0	-47.37	306.09	0.67	-46.70
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(N=[N+]=[N-])CC1	REAL250005065050	0	34	-1.0	-43.58	306.43	-3.41	-46.99
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC(=O)O1	REAL250005065051	0	32	-1.0	-50.86	297.01	-3.69	-54.55
CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065052	0	41	-1.0	-44.73	345.07	1.49	-43.24
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCC21	REAL250005065053	0	36	-1.0	-45.37	310.59	0.86	-44.51
C=C1CCC1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065054	0	36	-1.0	-44.87	312.96	0.51	-44.36
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005065055	0	38	-1.0	-43.80	313.67	0.68	-43.12
C[C@H](C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005065056	0	40	0.0	-60.51	326.43	-0.13	-60.64
C[C@H](C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005065056	1	39	-1.0	-45.38	317.90	-2.59	-47.97
CC=CC=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065057	0	36	-1.0	-45.51	321.45	0.77	-44.74
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=NN1C	REAL250005065058	0	34	-1.0	-46.36	304.17	-0.53	-46.89
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC[C@@H](O)C1	REAL250005065059	0	39	-1.0	-45.70	327.42	-2.72	-48.42
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC=CCC1	REAL250005065060	0	39	-1.0	-44.72	326.06	1.18	-43.54
COCC=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065061	0	36	-1.0	-46.74	319.63	-1.60	-48.34
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CC(C)C1	REAL250005065062	0	40	-1.0	-47.09	336.20	-2.34	-49.43
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CC(C)C1	REAL250005065062	1	41	0.0	-63.70	338.37	0.61	-63.09
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)COC1	REAL250005065063	0	36	-1.0	-45.54	308.40	-2.15	-47.69
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCCO1	REAL250005065064	0	37	-1.0	-45.66	317.10	-0.54	-46.20
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCS1	REAL250005065065	0	34	-1.0	-46.44	309.81	0.27	-46.17
CC1=NOC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005065066	0	36	-1.0	-50.33	318.08	-0.63	-50.96
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)NC1CC1	REAL250005065067	0	36	-1.0	-46.07	321.59	-2.72	-48.79
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCSC1	REAL250005065068	0	36	-1.0	-46.20	315.25	0.36	-45.84
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005065069	0	33	-1.0	-48.42	291.60	-1.75	-50.17
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCN=[N+]=[N-]	REAL250005065070	0	33	-1.0	-44.75	302.85	-4.66	-49.41
C#CCOCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065071	0	34	-1.0	-50.68	313.07	-0.41	-51.09
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NN=CO1	REAL250005065072	0	33	-1.0	-55.06	302.84	-6.11	-61.17
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCS1	REAL250005065073	0	36	-1.0	-47.92	317.13	0.36	-47.56
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005065074	0	35	-1.0	-44.69	303.19	-3.85	-48.54
CC1=CC1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065075	0	33	-1.0	-46.29	298.24	0.22	-46.07
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)N(C)C	REAL250005065076	0	35	-1.0	-46.62	305.20	-2.44	-49.06
CSC=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065077	0	33	-1.0	-45.50	308.33	-0.34	-45.84
CCC(C)(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065078	0	38	-1.0	-44.01	319.81	-3.18	-47.19
CC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065079	0	40	0.0	-62.81	326.02	0.13	-62.68
CC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065079	1	40	0.0	-62.93	326.02	0.12	-62.81
CCN(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065079	1	39	-1.0	-45.39	324.18	-2.14	-47.53
CCC=CC=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065080	0	39	-1.0	-45.34	342.54	1.53	-43.81
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)N[N-]1	REAL250005065081	0	32	-2.0	-90.03	298.54	-4.56	-94.59
CC1=CC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005065082	0	36	-1.0	-49.68	317.25	-0.53	-50.21
CC1=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005065083	0	39	-1.0	-44.86	326.27	1.30	-43.56
C=C1CC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005065084	0	36	-1.0	-45.61	312.58	0.50	-45.11
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(O)C1CC1	REAL250005065085	0	39	-1.0	-44.67	328.83	-2.15	-46.82
CC1=NC=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005065086	0	34	-1.0	-46.49	309.10	-3.49	-49.98
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1F	REAL250005065087	0	35	-1.0	-48.43	303.91	0.12	-48.31
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1	REAL250005065088	0	32	-1.0	-48.78	290.03	-1.41	-50.19
CC1=NOC(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005065089	0	33	-1.0	-47.54	303.64	-3.48	-51.02
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CC2C1	REAL250005065090	0	39	-1.0	-44.99	327.02	1.35	-43.64
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCSC1	REAL250005065091	0	34	-1.0	-45.46	308.33	0.32	-45.14
CCCC(O)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065092	0	41	-1.0	-47.69	346.37	-1.36	-49.05
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(Cl)CC1	REAL250005065093	0	32	-1.0	-43.32	298.98	0.03	-43.29
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCO1	REAL250005065094	0	34	-1.0	-45.29	300.80	-1.38	-46.67
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC[NH+](C)C	REAL250005065095	0	41	0.0	-68.45	345.52	0.71	-67.74
CCC[C@H](O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065096	0	38	-1.0	-45.11	325.49	-1.78	-46.89
CCC(C)(OC)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065097	0	41	-1.0	-43.14	332.94	-0.78	-43.92
CC(C)[C@H](O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065098	0	38	-1.0	-45.53	318.44	-2.78	-48.31
CC(C)C(CO)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065099	0	41	-1.0	-44.71	334.43	-2.52	-47.23
CCOC=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065100	0	36	-1.0	-45.89	319.35	-1.01	-46.90
CCN1CCC1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065101	0	40	-1.0	-46.65	336.15	-2.60	-49.25
CC[N@@H+]1CCC1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065101	1	41	0.0	-62.29	332.13	0.31	-61.98
CC[N@H+]1CCC1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065101	1	41	0.0	-61.55	332.85	0.10	-61.45
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1O	REAL250005065102	0	39	-1.0	-47.35	326.97	-2.73	-50.08
C[C@@H](O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065103	0	32	-1.0	-46.57	283.50	-3.40	-49.97
CCC(C)=C(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065104	0	41	-1.0	-44.29	336.59	1.40	-42.89
COC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005065105	0	39	-1.0	-43.89	327.43	-1.09	-44.98
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)(C)O	REAL250005065106	0	41	-1.0	-45.34	342.58	-2.51	-47.85
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSN=C1	REAL250005065107	0	31	-1.0	-46.27	294.00	-1.32	-47.59
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(C)C1	REAL250005065108	0	41	-1.0	-44.82	337.43	1.16	-43.66
CNC(=O)CCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065109	0	38	-1.0	-49.05	332.32	-2.96	-52.01
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCF	REAL250005065110	0	37	-1.0	-45.73	322.29	0.41	-45.32
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005065111	0	33	-1.0	-48.00	297.38	-4.01	-52.01
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CN=CO1	REAL250005065112	0	34	-1.0	-51.00	308.14	-3.44	-54.44
COC(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065113	0	38	-1.0	-47.76	317.16	-0.71	-48.47
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)[NH+](C)C	REAL250005065114	0	43	0.0	-60.47	333.60	0.66	-59.81
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)(F)CO	REAL250005065115	0	32	-1.0	-47.61	294.07	-3.06	-50.67
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCO	REAL250005065116	0	38	-1.0	-46.74	327.12	-3.07	-49.81
CC1=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005065117	0	34	-1.0	-46.28	305.05	-0.73	-47.01
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CNC(=O)C1	REAL250005065118	0	36	-1.0	-51.62	313.25	-3.70	-55.32
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CNC(=O)N1	REAL250005065119	0	35	-1.0	-52.94	308.91	-5.82	-58.76
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CS1	REAL250005065120	0	31	-1.0	-46.20	295.25	-1.81	-48.01
CC1=CC=C(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005065121	0	36	-1.0	-46.87	317.12	-0.61	-47.48
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CC1	REAL250005065122	0	36	-1.0	-47.77	316.89	-3.37	-51.14
COC1(CC(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065123	0	39	-1.0	-47.62	335.51	-0.30	-47.92
CC[C@H](C)[C@H](O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065124	0	41	-1.0	-45.36	336.22	-2.13	-47.49
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](O)C2	REAL250005065125	0	37	-1.0	-48.33	323.05	-2.69	-51.02
COC(F)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065126	0	32	-1.0	-47.94	291.33	-2.42	-50.36
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC1CC2	REAL250005065127	0	36	-1.0	-45.09	311.65	0.71	-44.38
CCCC(C)=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065128	0	41	-1.0	-44.23	345.21	1.60	-42.63
C=C[C@H](C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065129	0	38	-1.0	-44.40	323.72	0.63	-43.77
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CC1	REAL250005065130	0	36	-1.0	-45.23	318.26	0.93	-44.30
CC=C(CC)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065131	0	38	-1.0	-45.12	322.06	0.75	-44.37
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC12CC(C1)C2	REAL250005065132	0	39	-1.0	-45.46	326.48	1.43	-44.03
CCC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005065133	0	41	-1.0	-46.56	336.39	-2.16	-48.72
C=CC(C)(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065134	0	36	-1.0	-44.96	313.37	-3.11	-48.07
CCC(C)(CO)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065135	0	41	-1.0	-46.93	335.28	-2.80	-49.73
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CC1	REAL250005065136	0	41	0.0	-60.58	327.46	1.20	-59.38
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(N(C)C)CC1	REAL250005065136	1	40	-1.0	-44.60	332.69	-2.27	-46.87
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)CO2	REAL250005065137	0	37	-1.0	-46.27	316.31	-1.29	-47.56
C[C@@H](C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)O	REAL250005065138	0	41	-1.0	-46.42	332.52	-1.47	-47.89
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)OC2	REAL250005065139	0	37	-1.0	-45.18	316.98	-1.50	-46.68
CC(O)C1CC1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065140	0	39	-1.0	-45.20	336.98	-2.39	-47.59
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](C)C2	REAL250005065141	0	39	-1.0	-45.19	332.66	1.35	-43.84
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005065142	0	34	-1.0	-53.00	307.72	0.57	-52.43
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1(C)CC1	REAL250005065143	0	37	-1.0	-46.73	332.72	1.45	-45.28
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005065144	0	33	-1.0	-45.90	293.71	0.08	-45.82
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(F)O1	REAL250005065145	0	32	-1.0	-44.80	298.75	-0.83	-45.63
CON=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065146	0	32	-1.0	-48.26	295.17	-2.68	-50.94
C#CCC(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065147	0	39	-1.0	-44.92	334.60	1.04	-43.88
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C(N)=O	REAL250005065148	0	37	-1.0	-51.28	323.04	-3.77	-55.05
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(=O)N[N-]1	REAL250005065149	0	31	-2.0	-91.72	293.14	-5.87	-97.59
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005065150	0	32	-1.0	-43.62	289.60	-0.45	-44.07
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COCCO	REAL250005065151	0	36	-1.0	-51.82	318.66	-4.08	-55.90
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CF	REAL250005065152	0	37	-1.0	-44.07	316.14	0.05	-44.02
CC(C)[C@@H](O)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065153	0	41	-1.0	-47.34	339.31	-1.41	-48.75
CSC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065154	0	36	-1.0	-43.71	327.17	0.57	-43.14
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOCC1	REAL250005065155	0	33	-1.0	-46.16	296.75	-2.40	-48.56
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CCO)CC1	REAL250005065156	0	39	-1.0	-45.42	337.27	-2.65	-48.07
CC(C)C(C)(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065157	0	41	-1.0	-44.38	334.70	-2.39	-46.77
CC(C[NH+](C)C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065158	0	43	0.0	-64.84	346.70	0.72	-64.12
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN=CS1	REAL250005065159	0	30	-1.0	-48.08	291.28	-2.91	-50.99
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)C1CCC1	REAL250005065160	0	38	-1.0	-44.58	324.76	0.78	-43.80
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(C)O1	REAL250005065161	0	39	-1.0	-48.29	331.47	-0.36	-48.65
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC(C)C1	REAL250005065162	0	36	-1.0	-45.97	317.83	-1.64	-47.61
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(F)C1	REAL250005065163	0	38	-1.0	-44.13	326.87	0.70	-43.43
COCC(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065164	0	36	-1.0	-47.79	316.85	-4.08	-51.87
C#CC(C)(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065165	0	36	-1.0	-47.14	316.96	0.41	-46.73
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CNC(=O)N1	REAL250005065166	0	35	-1.0	-54.12	308.95	-5.83	-59.95
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1C	REAL250005065167	0	40	-1.0	-47.05	336.53	-2.35	-49.40
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CCC1C	REAL250005065167	1	41	0.0	-62.45	339.63	0.52	-61.93
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CCC1C	REAL250005065167	1	41	0.0	-61.31	339.61	0.54	-60.77
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC1	REAL250005065168	0	36	-1.0	-48.72	317.65	-0.16	-48.88
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1	REAL250005065169	0	32	-1.0	-48.10	291.16	-2.23	-50.33
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CCC1	REAL250005065170	0	39	-1.0	-45.05	334.69	1.46	-43.59
CCCC=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065171	0	38	-1.0	-44.98	328.87	0.90	-44.08
CC=C(F)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065172	0	32	-1.0	-44.23	291.25	-0.58	-44.81
CCC(C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005065173	0	43	-1.0	-43.99	342.66	1.44	-42.55
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)=C1CCC1	REAL250005065174	0	36	-1.0	-44.65	317.50	0.82	-43.83
CCC(CO)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065175	0	38	-1.0	-43.80	318.74	-2.85	-46.65
CC(CO)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065176	0	35	-1.0	-45.41	302.84	-3.89	-49.30
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CON=C1	REAL250005065177	0	31	-1.0	-48.24	286.18	-1.50	-49.74
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CF	REAL250005065178	0	35	-1.0	-46.10	311.25	0.31	-45.79
C#CC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065179	0	34	-1.0	-44.82	308.92	0.58	-44.24
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCC1	REAL250005065180	0	34	-1.0	-45.68	299.43	-1.41	-47.09
C[C@H](O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065181	0	32	-1.0	-45.47	283.51	-3.40	-48.87
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=NN1	REAL250005065182	0	32	-1.0	-46.35	297.03	-2.67	-49.02
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=CCC1	REAL250005065183	0	36	-1.0	-44.83	308.35	0.51	-44.32
CC(O)C(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065184	0	38	-1.0	-47.06	317.02	-2.19	-49.25
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCOC1	REAL250005065185	0	37	-1.0	-46.23	315.50	-5.01	-51.24
C=C1CC1C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065186	0	33	-1.0	-45.10	296.78	0.07	-45.03
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC=CC1	REAL250005065187	0	39	-1.0	-45.19	328.75	1.25	-43.94
CC(CF)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065188	0	34	-1.0	-44.52	298.05	-0.48	-45.00
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(C)(C)C1	REAL250005065189	0	39	-1.0	-45.31	335.51	1.23	-44.08
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC1(F)F	REAL250005065190	0	32	-1.0	-47.03	294.72	-0.31	-47.34
CC(=O)NCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065191	0	38	-1.0	-53.97	333.52	-2.96	-56.93
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC(=O)N1	REAL250005065192	0	33	-1.0	-50.75	299.98	-4.22	-54.97
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1C	REAL250005065193	0	41	-1.0	-44.64	336.48	1.23	-43.41
C=C(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065194	0	35	-1.0	-45.36	307.23	-0.08	-45.44
CCSCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065195	0	35	-1.0	-47.10	317.23	0.05	-47.05
CC(C)=C(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065196	0	38	-1.0	-44.58	317.01	0.74	-43.84
CCCC(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065197	0	38	-1.0	-45.11	325.49	-1.78	-46.89
CCCCC(O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065198	0	41	-1.0	-45.12	346.99	-1.00	-46.12
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1CC1	REAL250005065199	0	36	-1.0	-46.88	327.82	0.88	-46.00
CCC(O)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065200	0	38	-1.0	-47.81	324.88	-2.14	-49.95
CC(Cl)=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065201	0	32	-1.0	-46.19	298.56	-0.13	-46.32
CC=CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065202	0	32	-1.0	-45.42	286.28	-0.64	-46.06
CCC(F)(F)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065203	0	34	-1.0	-44.23	304.46	-0.36	-44.59
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1F	REAL250005065204	0	35	-1.0	-48.12	305.67	0.22	-47.90
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005065205	0	36	-1.0	-48.17	310.86	-3.40	-51.57
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1(C)C	REAL250005065206	0	41	-1.0	-45.14	343.67	1.41	-43.73
CC(NC(N)=O)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065207	0	37	-1.0	-48.38	323.86	-5.51	-53.89
C=C(C)CCCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065208	0	41	-1.0	-45.63	350.13	1.50	-44.13
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(F)C1	REAL250005065209	0	38	-1.0	-43.97	321.09	0.57	-43.40
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005065210	0	35	-1.0	-44.95	304.61	0.17	-44.78
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250005065211	0	39	-1.0	-45.00	325.91	1.27	-43.73
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1COC1	REAL250005065212	0	37	-1.0	-49.10	325.08	-2.37	-51.47
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@]12C[C@@H]1[C@H](C)C2	REAL250005065213	0	39	-1.0	-44.96	331.33	1.31	-43.65
CNC(=O)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065214	0	35	-1.0	-55.22	308.80	-2.24	-57.46
C=CC=CCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065215	0	36	-1.0	-45.66	320.87	0.70	-44.96
C#CC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005065216	0	37	-1.0	-44.39	324.75	1.00	-43.39
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL250005065217	0	41	0.0	-63.95	328.29	0.01	-63.94
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL250005065217	1	41	0.0	-61.06	334.09	0.50	-60.56
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCN1C	REAL250005065217	1	40	-1.0	-46.01	333.73	-1.76	-47.77
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CCO1	REAL250005065218	0	37	-1.0	-47.67	318.80	-0.04	-47.71
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCOC1CC1	REAL250005065219	0	39	-1.0	-45.65	338.60	-0.46	-46.11
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCCO	REAL250005065220	0	41	-1.0	-47.84	348.62	-2.28	-50.12
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=N1	REAL250005065221	0	31	-1.0	-46.94	295.34	-1.96	-48.90
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CCC1	REAL250005065222	0	39	-1.0	-46.55	324.48	-2.17	-48.72
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(N)=O	REAL250005065223	0	35	-1.0	-48.83	310.39	-4.44	-53.27
C=CCC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065224	0	39	-1.0	-45.23	338.24	1.19	-44.04
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC(F)F	REAL250005065225	0	32	-1.0	-48.11	297.03	-1.55	-49.66
COC(C)(C)CC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065226	0	41	-1.0	-46.03	335.26	-0.02	-46.05
CC(O)CCC(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065227	0	38	-1.0	-45.52	326.01	-3.01	-48.53
C#CCC(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065228	0	36	-1.0	-45.04	317.85	0.58	-44.46
CC(CCO)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065229	0	38	-1.0	-47.97	321.80	-3.31	-51.28
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)=CC1CC1	REAL250005065230	0	36	-1.0	-44.33	322.80	0.98	-43.35
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC(F)C1	REAL250005065231	0	38	-1.0	-48.16	327.22	0.86	-47.30
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)CF	REAL250005065232	0	32	-1.0	-47.95	289.81	-3.23	-51.18
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN=CN1C	REAL250005065233	0	34	-1.0	-50.80	304.57	0.14	-50.66
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005065234	0	33	-1.0	-45.92	291.54	-3.57	-49.49
C[C@@H](CNC(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065235	0	35	-1.0	-44.24	303.64	0.29	-43.95
C[C@@H](CNC(=O)C(C)(C)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065236	0	34	-1.0	-44.61	299.53	-0.59	-45.20
C[C@@H](CNC(=O)C(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065237	0	31	-1.0	-43.91	284.56	-1.06	-44.97
COCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065238	0	32	-1.0	-46.83	285.43	-1.88	-48.71
C[C@@H](CNC(=O)C1=CC=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065239	0	34	-1.0	-47.26	305.31	-0.66	-47.92
C[C@@H](CNC(=O)C1=CC=NC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065240	0	34	-1.0	-45.26	303.28	-0.71	-45.97
CCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065241	0	34	-1.0	-44.06	294.21	-0.48	-44.54
C[C@@H](CNC(=O)C1=CC=CN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065242	0	34	-1.0	-47.00	303.08	-0.72	-47.72
C[C@@H](CNC(=O)C1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065243	0	32	-1.0	-46.01	292.33	-0.94	-46.95
CC(=O)NCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065244	0	35	-1.0	-48.50	311.39	-3.57	-52.07
C[C@@H](CNC(=O)C1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065245	0	35	-1.0	-45.13	308.10	1.05	-44.08
CC(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065246	0	37	-1.0	-43.65	310.93	0.11	-43.54
C[C@@H](CNC(=O)C1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065247	0	41	-1.0	-43.50	333.88	1.30	-42.20
C[C@@H](CNC(=O)C1=CN=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065248	0	33	-1.0	-46.53	300.10	-2.54	-49.07
C[C@@H](CNC(=O)CC1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065249	0	41	-1.0	-43.74	335.90	1.37	-42.37
C[C@@H](CNC(=O)C1=CC=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065250	0	32	-1.0	-44.67	300.24	0.05	-44.62
C[C@@H](CNC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065251	0	35	-1.0	-44.16	304.61	0.20	-43.96
CCOCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065252	0	35	-1.0	-46.76	307.28	-0.92	-47.68
CC(C)=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065253	0	35	-1.0	-44.05	302.39	0.06	-43.99
C[C@@H](CNC(=O)C1=COCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065254	0	35	-1.0	-48.54	306.26	-1.30	-49.84
CC(=O)NC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065255	0	38	-1.0	-47.74	330.93	-2.72	-50.46
CC1=CC=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL250005065256	0	35	-1.0	-45.95	314.24	-0.12	-46.07
C[C@@H](CNC(=O)C1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065257	0	36	-1.0	-47.03	308.73	-0.68	-47.71
CSCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065258	0	32	-1.0	-45.94	295.77	-0.82	-46.76
CC1=CC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005065259	0	34	-1.0	-47.75	308.74	-0.87	-48.62
CSCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065260	0	35	-1.0	-44.53	317.44	0.00	-44.53
CC(C)CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065261	0	40	-1.0	-43.89	333.27	0.81	-43.08
C[C@@H](CNC(=O)C1=CSC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065262	0	32	-1.0	-44.85	299.44	-0.05	-44.90
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005065263	0	35	-1.0	-45.27	309.77	-0.18	-45.45
C[C@@H](CNC(=O)CC1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065264	0	39	-1.0	-44.43	328.07	1.28	-43.15
C[C@@H](CNC(=O)CN1C=NN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065265	0	33	-1.0	-55.38	301.51	-1.70	-57.08
C[C@@H](CNC(=O)C1=CN(C)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065266	0	35	-1.0	-48.58	313.14	-1.20	-49.78
C[C@@H](CNC(=O)C1CC=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065267	0	39	-1.0	-43.72	326.26	1.20	-42.52
CC1=NOC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005065268	0	34	-1.0	-46.88	308.77	-0.92	-47.80
C[C@@H](CNC(=O)C1=CC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065269	0	33	-1.0	-45.77	295.21	-1.16	-46.93
CC(=O)CCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065270	0	39	-1.0	-50.76	338.79	0.22	-50.54
C[C@@H](CNC(=O)C1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065271	0	32	-1.0	-46.84	291.49	-0.98	-47.82
C[C@@H](CNC(=O)CN1C=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065272	0	35	-1.0	-50.20	312.93	-0.82	-51.02
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005065273	0	35	-1.0	-46.02	310.22	-0.26	-46.28
CCCCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065274	0	40	-1.0	-43.96	337.20	1.08	-42.88
C[C@@H](CNC(=O)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065275	0	40	-1.0	-43.03	325.90	0.64	-42.39
C[C@@H](CNC(=O)C1=CC=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065276	0	36	-1.0	-46.45	313.59	0.48	-45.97
CCCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065277	0	37	-1.0	-44.02	315.70	0.30	-43.72
CC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065278	0	34	-1.0	-43.81	292.26	-0.58	-44.39
CCC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065279	0	37	-1.0	-43.67	310.38	0.07	-43.60
C[C@@H](CNC(=O)CSCC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065280	0	33	-1.0	-51.19	316.59	-0.18	-51.37
CC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065281	0	38	-1.0	-50.60	330.56	-1.18	-51.78
CCC(CC)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065282	0	40	-1.0	-43.54	331.38	0.59	-42.95
CC(C)OCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065283	0	41	-1.0	-44.67	348.51	-0.46	-45.13
C[C@@H](CNC(=O)C1COCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065284	0	37	-1.0	-47.29	317.70	-1.89	-49.18
C[C@@H](CNC(=O)C1=CC=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065285	0	32	-1.0	-45.85	289.92	-2.47	-48.32
CSC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065286	0	35	-1.0	-45.38	314.22	-0.26	-45.64
CCOC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065287	0	38	-1.0	-46.28	327.07	-0.23	-46.51
CCOCCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065288	0	41	-1.0	-46.00	349.73	-0.44	-46.44
C[C@@H](CNC(=O)COCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065289	0	39	-1.0	-46.94	338.96	0.66	-46.28
C[C@@H](CNC(=O)CC1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065290	0	39	-1.0	-47.09	328.81	-0.23	-47.32
C[C@@H](CNC(=O)C1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065291	0	32	-1.0	-47.63	290.20	-2.51	-50.14
COCCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065292	0	38	-1.0	-46.06	327.88	-1.41	-47.47
CCOC1CC1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065293	0	39	-1.0	-44.92	338.80	-0.58	-45.50
C[C@@H](CNC(=O)C1=NSN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065294	0	30	-1.0	-44.75	289.05	-2.99	-47.74
C[C@@H](CNC(=O)C1=CN=NS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065295	0	30	-1.0	-45.11	290.38	-2.34	-47.45
C[C@@H](CNC(=O)C1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065296	0	31	-1.0	-48.41	286.81	-1.70	-50.11
CC(=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005065297	0	39	-1.0	-43.90	329.62	1.50	-42.40
CC1=NNC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005065298	0	35	-1.0	-46.15	311.86	-1.91	-48.06
C[C@@H](CNC(=O)C1=CN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065299	0	31	-1.0	-45.02	295.26	-1.81	-46.83
CCC=C(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065300	0	38	-1.0	-44.18	321.40	0.81	-43.37
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005065301	0	34	-1.0	-47.52	305.10	-3.53	-51.05
CCOC(CC)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065302	0	41	-1.0	-45.72	348.03	0.63	-45.09
C[C@@H](CNC(=O)CC(F)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065303	0	31	-1.0	-46.47	290.13	-0.83	-47.30
COC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065304	0	35	-1.0	-46.35	305.22	-1.19	-47.54
CC(C)OCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065305	0	38	-1.0	-46.57	327.56	-0.19	-46.76
CCCOCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065306	0	38	-1.0	-46.60	328.78	-0.12	-46.72
C[C@@H](CNC(=O)C1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065307	0	36	-1.0	-45.48	305.86	-1.87	-47.35
C[C@@H](CNC(=O)C1=CC=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065308	0	35	-1.0	-45.67	308.56	-1.22	-46.89
CCC(OC)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065309	0	38	-1.0	-45.81	321.76	-0.49	-46.30
COCCCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065310	0	41	-1.0	-45.22	349.38	-0.62	-45.84
CCCC(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065311	0	43	-1.0	-43.54	350.66	1.53	-42.01
COC(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065312	0	38	-1.0	-45.12	325.52	-0.64	-45.76
C=CCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065313	0	35	-1.0	-44.03	307.02	0.08	-43.95
C[C@@H](CNC(=O)C1=COCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065314	0	37	-1.0	-44.28	314.29	-0.65	-44.93
C[C@@H](CNC(=O)C1CCCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065315	0	39	-1.0	-44.78	324.92	-1.09	-45.87
CCOCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065316	0	38	-1.0	-44.76	328.24	-1.20	-45.96
C[C@@H](CNC(=O)C1=CSC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065317	0	31	-1.0	-47.17	295.35	-1.95	-49.12
COCC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065318	0	38	-1.0	-44.09	325.09	-1.46	-45.55
C=CCOCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065319	0	36	-1.0	-46.85	320.19	-0.35	-47.20
C[C@@H](CNC(=O)C1=COC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065320	0	31	-1.0	-47.71	287.11	-4.35	-52.06
C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065321	0	36	-1.0	-50.58	315.01	-3.35	-53.93
CC1=NC=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005065322	0	35	-1.0	-46.18	312.02	-1.57	-47.75
C[C@@H](CNC(=O)C1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065323	0	41	0.0	-61.79	328.29	0.02	-61.77
C[C@@H](CNC(=O)C1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065323	1	41	0.0	-59.95	328.30	0.02	-59.93
C[C@@H](CNC(=O)C1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065323	1	40	-1.0	-45.24	333.52	-1.80	-47.04
CCC(=O)NCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065324	0	38	-1.0	-48.20	331.68	-2.75	-50.95
C[C@@H](CNC(=O)C=CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065325	0	41	-1.0	-44.11	344.21	1.15	-42.96
CC(C#N)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065326	0	32	-1.0	-48.91	291.69	-0.97	-49.88
CCCC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065327	0	40	-1.0	-43.72	331.88	0.81	-42.91
C[C@@H](CNC(=O)C(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065328	0	39	-1.0	-44.86	330.03	-0.17	-45.03
C[C@@H](CNC(=O)CCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065329	0	38	-1.0	-44.06	325.82	1.09	-42.97
CCCCOCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065330	0	41	-1.0	-46.52	350.28	0.66	-45.86
C[C@@H](CNC(=O)CC1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065331	0	34	-1.0	-49.96	306.94	-0.90	-50.86
C[C@@H](CNC(=O)CC1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065332	0	39	-1.0	-45.73	326.93	-1.20	-46.93
C[C@@H](CNC(=O)C1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065333	0	36	-1.0	-44.18	308.23	0.53	-43.65
C[C@@H](CNC(=O)CC1=NNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065334	0	35	-1.0	-50.07	311.80	-1.82	-51.89
C[C@@H](CNC(=O)CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065335	0	38	-1.0	-44.00	320.61	0.81	-43.19
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005065336	0	34	-1.0	-46.42	305.08	-3.63	-50.05
CC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005065337	0	38	-1.0	-43.88	321.54	0.86	-43.02
C[C@@H](CNC(=O)C1C2CCCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005065338	0	39	-1.0	-43.98	321.21	1.57	-42.41
C[C@@H](CNC(=O)CCC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065339	0	41	-1.0	-43.92	342.43	1.59	-42.33
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C=CN1	REAL250005065340	0	36	-1.0	-47.01	313.55	-0.50	-47.51
CC=C(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065341	0	35	-1.0	-44.38	301.02	0.03	-44.35
C[C@@H](CNC(=O)C1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065342	0	38	-1.0	-43.62	319.17	0.63	-42.99
C[C@@H](CNC(=O)C=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065343	0	36	-1.0	-44.73	311.87	0.74	-43.99
CCC(=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)CC	REAL250005065344	0	41	-1.0	-43.44	342.47	1.54	-41.90
CC(C)=C(F)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065345	0	35	-1.0	-44.44	306.92	0.12	-44.32
C[C@@H](CNC(=O)C1=CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065346	0	36	-1.0	-44.41	309.29	0.62	-43.79
C[C@@H](CNC(=O)C1=CN(C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065347	0	36	-1.0	-47.52	318.13	0.64	-46.88
C[C@@H](CNC(=O)C1=CN(C)C=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065348	0	35	-1.0	-50.41	313.67	0.27	-50.14
C[C@@H](CNC(=O)C1CCCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065349	0	39	-1.0	-46.25	326.65	0.12	-46.13
C[C@@H](CNC(=O)C1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065350	0	38	-1.0	-43.59	319.82	0.74	-42.85
CCC(C)OCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065351	0	41	-1.0	-46.45	348.32	0.61	-45.84
C[C@@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065352	0	38	-1.0	-43.62	319.84	0.75	-42.87
C[C@@H](CNC(=O)[C@@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065353	0	36	-1.0	-46.09	308.84	-0.64	-46.73
C#CCCCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065354	0	39	-1.0	-45.33	342.99	1.60	-43.73
C[C@@H](CNC(=O)COC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065355	0	41	-1.0	-46.32	341.59	0.20	-46.12
CCNC(=O)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065356	0	38	-1.0	-52.89	330.28	-1.35	-54.24
COC(C)CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065357	0	41	-1.0	-44.54	347.42	-0.63	-45.17
C[C@@H](CNC(=O)C1=CN=CN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065358	0	33	-1.0	-45.73	298.03	-0.90	-46.63
C[C@@H](CNC(=O)C1=CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065359	0	37	-1.0	-45.40	315.43	-1.13	-46.53
C[C@@H](CNC(=O)CC1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065360	0	35	-1.0	-47.06	313.46	-0.30	-47.36
CC1=NC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005065361	0	34	-1.0	-47.16	309.10	-3.61	-50.77
C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065362	0	37	-1.0	-48.41	323.87	-5.51	-53.92
CC1=CC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005065363	0	35	-1.0	-46.76	313.39	-0.16	-46.92
CCC(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065364	0	40	-1.0	-43.60	329.16	0.77	-42.83
C#CCCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065365	0	36	-1.0	-46.31	321.49	0.82	-45.49
C=CC(C)(O)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065366	0	39	-1.0	-45.51	329.58	-1.42	-46.93
C[C@@H](CNC(=O)CC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065367	0	38	-1.0	-46.14	319.69	-2.15	-48.29
COC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005065368	0	39	-1.0	-45.04	334.46	0.60	-44.44
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)NC=C1	REAL250005065369	0	36	-1.0	-45.58	313.18	-0.48	-46.06
C[C@@H](CNC(=O)C1=CN=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065370	0	34	-1.0	-47.70	303.25	-2.59	-50.29
C[C@@H](CNC(=O)C1COC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065371	0	34	-1.0	-51.95	305.14	-4.66	-56.61
CCCCC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065372	0	43	-1.0	-43.63	353.38	1.59	-42.04
C[C@@H](CNC(=O)C1CC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065373	0	41	-1.0	-43.67	339.73	1.13	-42.54
CC(C)[C@@H](O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065374	0	38	-1.0	-44.49	319.89	-1.82	-46.31
C[C@@H](CNC(=O)C1=CN(C)N=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065375	0	34	-1.0	-51.48	309.17	-2.64	-54.12
C[C@@H](CNC(=O)C1=NN(C)C=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065376	0	34	-1.0	-52.58	308.60	-0.53	-53.11
C[C@@H](CNC(=O)C1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065377	0	32	-1.0	-46.64	296.22	-0.31	-46.95
CCC(C)=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065378	0	38	-1.0	-43.73	323.86	0.81	-42.92
CC(C)C#CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065379	0	36	-1.0	-45.78	322.10	0.77	-45.01
C[C@@H](CNC(=O)CC1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065380	0	39	-1.0	-44.69	327.41	-1.09	-45.78
CC1=CNN=C1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065381	0	35	-1.0	-48.57	309.37	-1.81	-50.38
CC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005065382	0	39	-1.0	-44.59	329.59	1.50	-43.09
C[C@@H](CNC(=O)C#CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065383	0	34	-1.0	-46.12	311.77	0.94	-45.18
C[C@@H](CNC(=O)C#CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065384	0	39	-1.0	-45.74	342.24	1.31	-44.43
C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)C1=CC(=O)[N-]O1	REAL250005065385	0	34	-1.0	-45.99	312.18	-0.13	-46.12
COCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065386	0	35	-1.0	-44.76	306.38	-2.17	-46.93
C[C@@H](CNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065387	0	32	-1.0	-44.22	283.23	-0.47	-44.69
C[C@@H](CNC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065388	0	35	-1.0	-43.97	298.86	0.01	-43.96
C[C@@H](CNC(=O)C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065389	0	38	-1.0	-43.63	317.07	0.63	-43.00
C[C@@H](CNC(=O)C1CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065390	0	39	-1.0	-44.81	325.01	-1.11	-45.92
C[C@@H](CNC(=O)C1=NN(C)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065391	0	34	-1.0	-46.73	308.68	-2.81	-49.54
CCC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005065392	0	43	0.0	-60.76	338.53	0.50	-60.26
C[C@@H](CNC(=O)C1CC(C)CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065393	0	39	-1.0	-46.70	329.64	-0.03	-46.73
C[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065394	0	39	-1.0	-44.05	327.84	1.31	-42.74
C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065395	0	36	-1.0	-49.42	315.02	-3.36	-52.78
CCC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065396	0	43	0.0	-62.20	347.52	0.88	-61.32
CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065396	1	43	0.0	-62.20	347.52	0.88	-61.32
C[C@@H](CNC(=O)CCC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065397	0	43	-1.0	-43.74	349.44	1.21	-42.53
C[C@@H](CNC(=O)C1=CC=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065398	0	33	-1.0	-46.36	300.36	-0.86	-47.22
C[C@@H](CNC(=O)CC1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065399	0	35	-1.0	-47.72	313.47	-0.13	-47.85
C[C@@H](CNC(=O)C1=NC=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065400	0	33	-1.0	-50.14	300.93	-1.47	-51.61
CCC(C)CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065401	0	43	-1.0	-43.79	351.50	1.46	-42.33
C[C@@H](CNC(=O)C1=CC=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065402	0	33	-1.0	-50.43	300.37	-1.81	-52.24
C[C@@H](CNC(=O)C1CCOC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065403	0	39	-1.0	-45.15	323.28	-1.17	-46.32
C[C@@H](CNC(=O)C1(C)CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065404	0	39	-1.0	-44.55	325.46	-1.46	-46.01
CCC(CC)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065405	0	43	-1.0	-43.51	343.29	1.28	-42.23
CCC(C)C(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065406	0	43	-1.0	-43.19	344.46	1.25	-41.94
CCCC(CC)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065407	0	43	-1.0	-43.56	347.74	1.32	-42.24
CCC1(C)CC1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065408	0	41	-1.0	-43.46	336.90	1.38	-42.08
COCC(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065409	0	41	-1.0	-45.36	343.87	-0.78	-46.14
C[C@@H](CNC(=O)C1CCC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065410	0	38	-1.0	-45.85	322.22	0.69	-45.16
C[C@@H](CNC(=O)CCC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065411	0	41	-1.0	-44.02	342.17	1.45	-42.57
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005065412	0	34	-1.0	-46.65	305.33	-0.84	-47.49
CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065413	0	43	0.0	-63.61	348.39	0.68	-62.93
CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065413	1	43	0.0	-63.50	348.39	0.69	-62.81
CC1=CON=C1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065414	0	34	-1.0	-48.30	305.63	-1.02	-49.32
C[C@@H](CNC(=O)CN1N=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065415	0	33	-1.0	-50.82	303.03	-2.09	-52.91
CCCC[C@@H](C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065416	0	43	-1.0	-43.54	353.38	1.59	-41.95
CCC(C)(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065417	0	43	-1.0	-42.99	340.13	1.12	-41.87
CC(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065418	0	43	-1.0	-43.18	337.89	0.91	-42.27
C=CC(C)(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065419	0	41	-1.0	-42.92	334.56	1.03	-41.89
C[C@@H](CNC(=O)CN1N=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065420	0	34	-1.0	-50.77	308.33	-2.47	-53.24
C=CCCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065421	0	38	-1.0	-44.32	328.52	0.87	-43.45
CCC(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065422	0	40	-1.0	-43.62	325.37	0.47	-43.15
CCCC(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065423	0	43	-1.0	-43.51	346.87	1.24	-42.27
C[C@@H](CNC(=O)C1(C(N)=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065424	0	36	-1.0	-49.62	322.47	-3.99	-53.61
C[C@@H](CNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065425	0	29	-1.0	-47.21	268.06	-5.93	-53.14
CC1=NOC=C1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065426	0	34	-1.0	-46.21	305.52	-0.90	-47.11
C[C@@H](CNC(=O)C1(C)CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065427	0	39	-1.0	-43.91	326.49	1.07	-42.84
COC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005065428	0	41	-1.0	-45.26	341.73	0.17	-45.09
C[C@@H](CNC(=O)CC1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065429	0	38	-1.0	-44.16	325.02	0.97	-43.19
C=CC(C)(CC)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065430	0	41	-1.0	-43.60	334.02	1.54	-42.06
C[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065431	0	39	-1.0	-45.31	326.91	-1.21	-46.52
CCC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065432	0	38	-1.0	-43.84	325.86	0.73	-43.11
C[C@@H](CNC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065433	0	37	-1.0	-43.60	311.14	-0.03	-43.63
C[C@@H](CNC(=O)CC1=NNC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065434	0	34	-1.0	-52.19	307.33	-1.40	-53.59
C[C@@H](CNC(=O)CC1=NN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065434	1	34	-1.0	-54.73	305.94	-0.86	-55.59
C=C(C)CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065435	0	38	-1.0	-43.81	328.66	0.76	-43.05
C[C@@H](CNC(=O)C1=CC=NS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065436	0	31	-1.0	-45.71	295.32	-1.32	-47.03
C[C@@H](CNC(=O)CC(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065437	0	34	-1.0	-48.30	304.61	-0.29	-48.59
CCCC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065438	0	41	-1.0	-43.72	347.36	1.51	-42.21
CCC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065439	0	41	-1.0	-43.90	347.50	1.74	-42.16
CC(C)C1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065440	0	41	-1.0	-43.92	338.85	1.06	-42.86
C=C1CC(C)(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005065441	0	39	-1.0	-43.54	330.67	1.08	-42.46
C[C@@H](CNC(=O)C1(CF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065442	0	35	-1.0	-44.43	305.71	0.20	-44.23
C[C@@H](CNC(=O)C1CC2(CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065443	0	39	-1.0	-43.74	331.80	1.41	-42.33
CCCCCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065444	0	43	-1.0	-43.91	358.70	1.87	-42.04
CC(C)C(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065445	0	40	-1.0	-43.22	326.28	0.61	-42.61
C[C@@H](CNC(=O)C1CCC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065446	0	41	-1.0	-43.50	337.44	1.27	-42.23
C#CCOCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065447	0	37	-1.0	-46.34	334.02	-0.66	-47.00
C#CCOC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065448	0	37	-1.0	-48.60	332.86	0.31	-48.29
C[C@@H](CNC(=O)C(C)(C)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065449	0	38	-1.0	-52.12	322.73	-2.43	-54.55
C[C@@H](CNC(=O)C1(C2CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065450	0	39	-1.0	-43.45	324.90	1.71	-41.74
COC1CC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005065451	0	39	-1.0	-44.22	332.82	-0.98	-45.20
C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065452	0	36	-1.0	-49.64	320.68	-3.89	-53.53
CC[C@@H](C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005065453	0	43	0.0	-60.88	338.94	0.46	-60.42
C[C@@H](CNC(=O)C1(CF)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065454	0	38	-1.0	-45.24	320.05	0.83	-44.41
CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065455	0	38	-1.0	-43.98	326.01	0.95	-43.03
CC(C)CCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065456	0	43	-1.0	-43.96	354.77	1.59	-42.37
C[C@@H](CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065457	0	34	-1.0	-51.89	307.72	0.60	-51.29
C[C@@H](CNC(=O)CCNC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065458	0	37	-1.0	-52.78	326.44	-5.72	-58.50
C[C@@H](CNC(=O)C1=NSC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065459	0	31	-1.0	-46.52	294.59	-1.47	-47.99
CC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005065460	0	41	-1.0	-43.44	338.57	1.40	-42.04
C[C@@H](CNC(=O)C1COC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065461	0	39	-1.0	-44.47	327.59	-1.16	-45.63
C[C@@H](CNC(=O)C1CC12CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065462	0	36	-1.0	-44.55	315.67	0.99	-43.56
C[C@@H](CNC(=O)CC1=CNC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065463	0	35	-1.0	-51.03	311.24	-0.59	-51.62
C[C@@H](CNC(=O)CC1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065463	1	35	-1.0	-49.58	312.09	-0.78	-50.36
C=CCC(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065464	0	41	-1.0	-43.37	340.30	1.07	-42.30
C[C@@H](CNC(=O)C1CC12CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065465	0	39	-1.0	-44.06	330.54	1.46	-42.60
CC1=CNC=C1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065466	0	36	-1.0	-47.68	314.07	-0.42	-48.10
C[C@@H](CNC(=O)C1=NN(C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065467	0	35	-1.0	-49.39	313.72	-1.16	-50.55
C[C@@H](CNC(=O)C1(F)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065468	0	38	-1.0	-44.49	323.05	0.65	-43.84
C[C@@H](CNC(=O)C1=CN=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065469	0	35	-1.0	-48.72	308.27	0.18	-48.54
C[C@@H](CNC(=O)CC(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065470	0	38	-1.0	-53.10	326.19	-0.26	-53.36
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065471	0	39	-1.0	-43.93	336.79	1.76	-42.17
COCCC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065472	0	41	-1.0	-45.55	344.05	-0.89	-46.44
CCC(C)(CC)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065473	0	43	-1.0	-43.43	341.30	0.95	-42.48
COCC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065474	0	39	-1.0	-45.80	338.72	-0.93	-46.73
COCC(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065475	0	41	-1.0	-43.85	342.75	-0.83	-44.68
C[C@@H](CNC(=O)[C@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065476	0	36	-1.0	-47.04	309.12	-0.66	-47.70
C[C@@H](CNC(=O)CCC(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065477	0	34	-1.0	-45.69	306.87	-0.21	-45.90
C[C@@H](CNC(=O)C1=CC(F)=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065478	0	33	-1.0	-45.92	301.66	-1.10	-47.02
C[C@@H](CNC(=O)CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065479	0	38	-1.0	-43.86	323.71	0.77	-43.09
C[C@@H](CNC(=O)C1(CCF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065480	0	38	-1.0	-44.15	332.45	0.87	-43.28
C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065481	0	37	-1.0	-45.23	319.13	-1.27	-46.50
C[C@@H](CNC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065482	0	35	-1.0	-43.94	300.98	0.12	-43.82
C[C@@H](CNC(=O)C1=CNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065483	0	33	-1.0	-47.98	295.34	-1.08	-49.06
CC(CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005065484	0	41	-1.0	-43.42	340.60	1.56	-41.86
C[C@@H](CNC(=O)C1=CSN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065485	0	30	-1.0	-48.50	290.08	-2.58	-51.08
C[C@@H](CNC(=O)C1(C)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065486	0	41	-1.0	-43.54	334.04	1.16	-42.38
C[C@@H](CNC(=O)C1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065487	0	31	-1.0	-46.46	287.12	-4.25	-50.71
CNC(=O)NCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065488	0	37	-1.0	-49.58	326.24	-4.90	-54.48
C=CCCOCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065489	0	39	-1.0	-46.46	341.59	0.44	-46.02
C=CCOC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065490	0	39	-1.0	-46.49	339.97	0.34	-46.15
C[C@@H](CNC(=O)CCCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065491	0	38	-1.0	-52.98	331.89	-3.63	-56.61
CC1=NNC=C1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065492	0	35	-1.0	-46.77	308.30	-1.92	-48.69
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005065493	0	34	-1.0	-46.17	302.97	-3.24	-49.41
CC1=NNN=C1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065493	1	34	-1.0	-45.60	304.22	-3.32	-48.92
CCCC(OC)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065494	0	41	-1.0	-45.65	343.26	0.27	-45.38
C=C(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065495	0	41	-1.0	-43.45	336.64	0.90	-42.55
CC(CC(N)=O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065496	0	38	-1.0	-48.18	325.72	-3.81	-51.99
C[C@@H](CNC(=O)C1CCNC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065497	0	36	-1.0	-49.11	313.26	-3.67	-52.78
C=CC(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065498	0	38	-1.0	-43.72	319.90	0.37	-43.35
C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065499	0	41	0.0	-59.43	333.38	0.53	-58.90
C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065499	1	41	0.0	-59.97	328.24	0.01	-59.96
C[C@@H](CNC(=O)[C@H]1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065499	1	40	-1.0	-45.27	333.67	-1.72	-46.99
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065500	0	35	-1.0	-44.04	304.61	0.20	-43.84
C[C@@H](CNC(=O)C1(C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065501	0	38	-1.0	-43.66	316.46	0.54	-43.12
CCC(F)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065502	0	34	-1.0	-44.28	300.48	-0.44	-44.72
C[C@@H](CNC(=O)CCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005065503	0	34	-1.0	-45.93	300.80	-0.34	-46.27
CC1=COC=C1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065504	0	35	-1.0	-46.62	310.35	-0.30	-46.92
C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065505	0	35	-1.0	-44.16	304.60	0.20	-43.96
C[C@@H](CNC(=O)C1(C)C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065506	0	39	-1.0	-43.51	327.15	1.04	-42.47
C[C@@H](CNC(=O)C1=NN(C)N=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065507	0	33	-1.0	-50.27	303.57	-3.26	-53.53
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005065508	0	35	-1.0	-46.75	308.02	-0.80	-47.55
CC(C)C(F)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065509	0	37	-1.0	-44.78	314.99	0.15	-44.63
C=CC(C)C(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065510	0	41	-1.0	-43.26	339.70	1.13	-42.13
CCC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005065511	0	41	-1.0	-43.81	338.35	1.20	-42.61
CC#CCCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065512	0	39	-1.0	-47.06	343.31	1.78	-45.28
C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)C1=CC(=O)[N-]O1	REAL250005065513	0	37	-1.0	-44.74	319.09	-1.15	-45.89
C[C@@H](CNC(=O)CCCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065514	0	41	-1.0	-44.19	347.32	1.87	-42.32
C[C@@H](CNC(=O)C1CCC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065515	0	41	-1.0	-43.53	336.18	0.98	-42.55
CC1=COC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005065516	0	35	-1.0	-45.90	314.22	-0.25	-46.15
C=CC(CC)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065517	0	41	-1.0	-43.65	344.25	1.34	-42.31
C[C@@H](CNC(=O)C(C)(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065518	0	41	-1.0	-43.86	334.29	1.21	-42.65
C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065519	0	39	-1.0	-43.79	326.99	1.36	-42.43
C[C@@H](CNC(=O)CC1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065520	0	34	-1.0	-48.51	307.70	-0.87	-49.38
CC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005065521	0	43	-1.0	-42.68	338.18	1.00	-41.68
C[C@@H](CNC(=O)C1=NNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065522	0	31	-1.0	-45.68	285.62	-3.92	-49.60
C[C@@H](CNC(=O)C1=CN=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065522	1	31	-1.0	-46.31	284.72	-3.86	-50.17
C[C@@H](CNC(=O)C=CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065523	0	33	-1.0	-49.46	302.67	-4.61	-54.07
C[C@@H](CNC(=O)C1=NC(N)=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065524	0	33	-1.0	-46.32	301.86	-2.33	-48.65
COC(=O)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065525	0	34	-1.0	-50.37	304.65	-0.27	-50.64
C#CCSCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065526	0	34	-1.0	-47.78	323.01	0.60	-47.18
CSC=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065527	0	33	-1.0	-44.95	308.33	-0.34	-45.29
C[C@@H](CNC(=O)C1(CO)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065528	0	39	-1.0	-45.61	324.46	-2.15	-47.76
C[C@@H](CNC(=O)CCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065529	0	35	-1.0	-48.86	310.39	-4.41	-53.27
C=CCC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065530	0	39	-1.0	-43.97	338.43	1.30	-42.67
C[C@@H](CNC(=O)COC(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065531	0	32	-1.0	-47.30	297.03	-1.53	-48.83
C[C@@H](CNC(=O)C1=CCCS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065532	0	34	-1.0	-47.05	309.81	0.28	-46.77
CC1=NOC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005065533	0	36	-1.0	-49.25	318.08	-0.60	-49.85
C[C@@H](CNC(=O)C(=O)NC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065534	0	36	-1.0	-47.01	321.58	-2.72	-49.73
C[C@@H](CNC(=O)C1=CC(N)=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065535	0	34	-1.0	-46.94	306.04	-3.76	-50.70
C[C@@H](CNC(=O)C1CCSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065536	0	36	-1.0	-44.99	315.25	0.37	-44.62
C[C@@H](CNC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065537	0	33	-1.0	-47.05	291.18	-1.63	-48.68
CCCC(O)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065538	0	41	-1.0	-46.35	346.38	-1.32	-47.67
C[C@@H](CNC(=O)C(C)(C)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065539	0	38	-1.0	-45.95	328.18	0.16	-45.79
C[C@@H](CNC(=O)C1(Cl)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065540	0	32	-1.0	-43.75	298.70	0.05	-43.70
C[C@@H](CNC(=O)C1=CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065541	0	34	-1.0	-45.71	300.80	-1.38	-47.09
C[C@@H](CNC(=O)C1(CO)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065542	0	37	-1.0	-47.79	316.49	-4.89	-52.68
CC(C)=CCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065543	0	41	-1.0	-44.02	345.18	1.47	-42.55
C[C@@H](CNC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065544	0	33	-1.0	-44.78	290.06	-2.75	-47.53
C[C@@H](CNC(=O)C1CCC(C)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065545	0	39	-1.0	-46.08	330.05	0.13	-45.95
C[C@@H](CNC(=O)C1=NNC=C1N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065546	0	34	-1.0	-47.90	303.30	-4.45	-52.35
C[C@@H](CNC(=O)C1=C(N)C=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065546	1	34	-1.0	-45.84	302.16	-4.43	-50.27
C[C@@H](CNC(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005065547	0	33	-1.0	-46.95	297.38	-4.01	-50.96
CC1=NNC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005065548	0	34	-1.0	-46.11	307.72	-1.95	-48.06
CC1=NN=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005065548	1	34	-1.0	-51.08	307.93	-1.69	-52.77
C[C@@H](CNC(=O)C1=COC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065549	0	32	-1.0	-49.06	295.85	-3.88	-52.94
C[C@@H](CNC(=O)C1=COC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065549	1	31	-2.0	-94.32	293.72	-5.55	-99.87
CC=CC(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065550	0	36	-1.0	-44.84	315.77	-1.79	-46.63
CCCC[C@H](C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065551	0	43	-1.0	-43.62	353.37	1.59	-42.03
C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065552	0	40	0.0	-61.39	326.40	-0.13	-61.52
C[C@@H](CNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065552	1	39	-1.0	-44.17	318.67	-2.49	-46.66
CCC=C(F)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065553	0	35	-1.0	-44.25	311.55	0.16	-44.09
CCC=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065554	0	35	-1.0	-44.34	307.37	0.12	-44.22
C[C@@H](CNC(=O)C1CNC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065555	0	36	-1.0	-48.57	313.25	-3.67	-52.24
C[C@@H](CNC(=O)C1=NON=C1N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065556	0	32	-1.0	-45.13	295.16	-3.24	-48.37
C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065557	0	35	-1.0	-51.33	308.96	-5.82	-57.15
C[C@@H](CNC(=O)C1=CN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065558	0	31	-1.0	-45.02	295.26	-1.81	-46.83
C[C@@H](CNC(=O)CCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005065559	0	33	-1.0	-44.00	302.83	-4.63	-48.63
C#CCOCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065560	0	34	-1.0	-49.19	313.07	-0.39	-49.58
C[C@@H](CNC(=O)CC1=NN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065561	0	33	-1.0	-52.92	302.84	-6.08	-59.00
C[C@@H](CNC(=O)C1CCCS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065562	0	36	-1.0	-46.63	317.62	0.38	-46.25
COC(C)(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065563	0	41	-1.0	-45.26	335.25	0.01	-45.25
CC(O)CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065564	0	38	-1.0	-45.43	326.05	-2.98	-48.41
C[C@@H](CNC(=O)CN1C=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065565	0	36	-1.0	-47.47	318.88	1.09	-46.38
C#CCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065566	0	33	-1.0	-44.79	299.99	0.04	-44.75
CC(=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005065567	0	41	-1.0	-43.70	340.69	1.31	-42.39
COC1(CC(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065568	0	39	-1.0	-46.11	334.91	-0.30	-46.41
CC[C@H](C)[C@H](O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065569	0	41	-1.0	-44.29	336.32	-2.10	-46.39
CC=CC=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065570	0	36	-1.0	-44.70	321.45	0.79	-43.91
C[C@@H](CNC(=O)C1=NC=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065571	0	34	-1.0	-46.91	304.18	-0.52	-47.43
C[C@@H](CNC(=O)[C@@H]1CC[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065572	0	39	-1.0	-44.96	326.92	-2.76	-47.72
C[C@@H](CNC(=O)[C@@H]1CC=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065573	0	39	-1.0	-43.75	326.25	1.19	-42.56
COCC=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065574	0	36	-1.0	-45.74	319.64	-1.60	-47.34
C[C@@H](CNC(=O)C1CC2CC2C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065575	0	39	-1.0	-43.76	327.01	1.36	-42.40
C[C@@H](CNC(=O)CN1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065576	0	40	-1.0	-45.76	336.19	-2.33	-48.09
C[C@@H](CNC(=O)C[NH+]1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065576	1	41	0.0	-62.16	339.56	0.56	-61.60
CCC(C)(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065577	0	38	-1.0	-44.28	320.01	-3.13	-47.41
C#CCC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065578	0	36	-1.0	-44.21	317.86	0.59	-43.62
C=CC(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065579	0	33	-1.0	-44.95	294.06	-2.65	-47.60
C[C@@H](CNC(=O)CCCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005065580	0	36	-1.0	-46.10	324.36	-3.83	-49.93
C[C@@H](CNC(=O)C1OCC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065581	0	39	-1.0	-46.53	329.95	-0.40	-46.93
C[C@@H](CNC(=O)C12CC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065582	0	36	-1.0	-44.42	311.66	0.73	-43.69
CCCC(C)=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065583	0	41	-1.0	-43.59	345.36	1.59	-42.00
C=C[C@H](C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065584	0	38	-1.0	-43.56	323.72	0.64	-42.92
C[C@@H](CNC(=O)C=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065585	0	36	-1.0	-44.37	318.26	0.93	-43.44
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005065586	0	34	-1.0	-45.77	305.05	-0.71	-46.48
CC(C)CC(=O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065587	0	39	-1.0	-45.08	334.00	0.07	-45.01
C[C@@H](CNC(=O)C1(C#N)CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065588	0	36	-1.0	-48.83	318.42	0.46	-48.37
CCC(C#N)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065589	0	35	-1.0	-46.52	312.31	-0.32	-46.84
C[C@@H](CNC(=O)[C@@H]1CNC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065590	0	34	-1.0	-53.12	305.13	-4.18	-57.30
C[C@@H](CNC(=O)C1C2CCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005065591	0	36	-1.0	-44.11	305.92	0.85	-43.26
C=C1CCC1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065592	0	36	-1.0	-44.22	313.00	0.52	-43.70
C[C@@H](CNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065593	0	38	-1.0	-43.97	321.09	0.73	-43.24
CC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065594	0	40	0.0	-61.87	326.02	0.14	-61.73
CC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065594	1	40	0.0	-61.88	326.02	0.13	-61.75
CCN(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065594	1	39	-1.0	-44.40	324.18	-2.12	-46.52
C[C@@H](CNC(=O)C1CC2(C1)N=N2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065595	0	35	-1.0	-44.64	312.31	-4.98	-49.62
CC(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065596	0	32	-1.0	-47.43	283.85	-3.41	-50.84
CC(=O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065597	0	30	-1.0	-45.52	274.97	-2.11	-47.63
C[C@@H](CNC(=O)C1=CNN=C1N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065598	0	34	-1.0	-47.18	302.12	-3.46	-50.64
CC(NC(N)=O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065599	0	37	-1.0	-48.42	323.87	-5.51	-53.93
CCOC(=O)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065600	0	37	-1.0	-50.21	326.52	0.66	-49.55
C[C@@H](CNC(=O)C1=CC(=O)N[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065601	0	32	-2.0	-89.58	298.55	-4.56	-94.14
CC1=CC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005065602	0	36	-1.0	-47.81	317.25	-0.53	-48.34
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005065603	0	39	-1.0	-44.20	327.49	1.33	-42.87
C[C@@H](CNC(=O)CCCC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065604	0	35	-1.0	-50.60	315.06	0.04	-50.56
C[C@@H](CNC(=O)C1(C#N)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065605	0	33	-1.0	-47.09	302.48	-0.24	-47.33
C=C1CC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005065606	0	36	-1.0	-43.90	312.95	0.56	-43.34
C[C@@H](CNC(=O)[C@]12C[C@H]1[C@H](O)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065607	0	37	-1.0	-47.11	323.07	-2.68	-49.79
C[C@@H](CNC(=O)C12CC(C1)CO2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065608	0	37	-1.0	-45.28	316.30	-1.28	-46.56
CCC=CC=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065609	0	39	-1.0	-44.60	342.54	1.55	-43.05
C[C@@H](CNC(=O)CN(C)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065610	0	37	-1.0	-51.42	323.04	-3.75	-55.17
C[C@@H](CNC(=O)C1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065611	0	31	-2.0	-92.32	293.04	-6.01	-98.33
C[C@@H](CNC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065612	0	32	-1.0	-44.15	289.42	-0.44	-44.59
C[C@@H](CNC(=O)C(C)(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065613	0	39	-1.0	-44.28	328.48	-2.53	-46.81
CC1=NC=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL250005065614	0	34	-1.0	-45.85	309.11	-3.50	-49.35
COC(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065615	0	38	-1.0	-46.25	317.16	-0.71	-46.96
CC(CC#N)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065616	0	35	-1.0	-46.54	311.43	-0.22	-46.76
CCC1CC1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065617	0	38	-1.0	-43.70	320.53	0.98	-42.72
C[C@@H](C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)(C)O	REAL250005065618	0	41	-1.0	-45.66	331.97	-1.77	-47.43
C[C@@H](CNC(=O)C1COC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065619	0	33	-1.0	-52.64	301.32	-0.84	-53.48
C[C@@H](CNC(=O)C12CC(C1)OC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065620	0	37	-1.0	-44.98	316.98	-1.49	-46.47
CC(O)C1CC1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065621	0	39	-1.0	-45.59	329.17	-0.90	-46.49
C[C@@H](CNC(=O)[C@]12C[C@H]1[C@H](C)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065622	0	39	-1.0	-44.27	332.65	1.37	-42.90
C[C@@H](CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065623	0	34	-1.0	-51.89	307.72	0.60	-51.29
CC(C[NH+](C)C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065624	0	43	0.0	-63.57	346.70	0.73	-62.84
C=CC(C)(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065625	0	36	-1.0	-44.59	313.37	-3.08	-47.67
CCC(C)(CO)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065626	0	41	-1.0	-46.11	335.27	-2.80	-48.91
C[C@@H](CNC(=O)C1([NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065627	0	41	0.0	-62.54	334.90	0.15	-62.39
C[C@@H](CNC(=O)C1(N(C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065627	1	40	-1.0	-43.87	332.15	-1.88	-45.75
CCCC=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065628	0	38	-1.0	-44.20	328.87	0.90	-43.30
CC=C(F)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065629	0	32	-1.0	-44.44	291.25	-0.58	-45.02
CCC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005065630	0	43	-1.0	-43.18	344.19	1.03	-42.15
C[C@H](C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005065631	0	40	0.0	-60.40	326.43	-0.11	-60.51
C[C@H](C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005065631	1	39	-1.0	-44.40	320.06	-2.56	-46.96
CC(C)C(CO)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065632	0	41	-1.0	-43.24	334.63	-2.25	-45.49
CCOC=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065633	0	36	-1.0	-45.74	319.35	-1.02	-46.76
CCN1CCC1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065634	0	40	-1.0	-45.43	336.96	-2.47	-47.90
CC[N@@H+]1CCC1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065634	1	41	0.0	-60.83	339.96	0.45	-60.38
CC[N@H+]1CCC1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065634	1	41	0.0	-60.70	339.93	0.51	-60.19
CCC(C)=C(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065635	0	41	-1.0	-43.53	336.21	1.41	-42.12
COC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005065636	0	39	-1.0	-43.94	327.44	-1.09	-45.03
C=CCCC(=O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065637	0	37	-1.0	-45.21	330.07	0.04	-45.17
CC(O)CCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065638	0	41	-1.0	-46.32	347.51	-2.21	-48.53
CC(=O)OCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065639	0	34	-1.0	-48.78	308.78	-0.29	-49.07
CC(=O)NCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065640	0	38	-1.0	-52.13	333.22	-2.92	-55.05
C[C@@H](CNC(=O)C1=CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065641	0	33	-1.0	-50.28	299.73	-4.33	-54.61
C[C@@H](CNC(=O)C(C)(C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065642	0	43	0.0	-58.37	335.75	0.62	-57.75
C[C@@H](CNC(=O)C(F)(F)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005065643	0	32	-1.0	-46.52	295.27	-4.30	-50.82
C[C@@H](CNC(=O)C#CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065644	0	37	-1.0	-46.15	332.72	1.45	-44.70
CC(=O)C=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065645	0	34	-1.0	-47.63	309.67	-0.75	-48.38
C[C@@H](CNC(=O)COC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065646	0	36	-1.0	-47.26	317.65	-0.14	-47.40
C[C@@H](CNC(=O)C1=NC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065647	0	32	-1.0	-48.87	291.16	-2.21	-51.08
C[C@@H](CNC(=O)C=CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065648	0	39	-1.0	-44.14	334.69	1.46	-42.68
C[C@@H](CNC(=O)C1=NN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065649	0	30	-1.0	-49.13	291.28	-2.90	-52.03
C[C@@H](CNC(=O)C1CC(=O)CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065650	0	35	-1.0	-49.61	311.61	-1.64	-51.25
CC(C)NC(=O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065651	0	38	-1.0	-47.17	332.10	-2.77	-49.94
CC1=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005065652	0	37	-1.0	-44.18	316.31	-0.60	-44.78
C[C@@H](CNC(=O)C1=NC=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065653	0	35	-1.0	-49.22	309.42	-0.47	-49.69
CC(CO)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065654	0	35	-1.0	-44.78	302.84	-3.88	-48.66
C[C@@H](CNC(=O)C1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065655	0	31	-1.0	-46.26	286.18	-1.49	-47.75
C[C@@H](CNC(=O)CCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005065656	0	38	-1.0	-45.91	327.13	-3.04	-48.95
C[C@@H](CNC(=O)C(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065657	0	34	-1.0	-45.52	306.04	-0.51	-46.03
C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065658	0	34	-1.0	-51.96	305.09	-4.65	-56.61
C[C@@H](CNC(=O)CC1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065659	0	36	-1.0	-46.95	314.66	-3.23	-50.18
C[C@@H](CNC(=O)C1CCC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065660	0	35	-1.0	-46.73	305.23	0.08	-46.65
C[C@@H](CNC(=O)C(F)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065661	0	38	-1.0	-44.04	324.76	0.80	-43.24
C[C@@H](CNC(=O)C1CC(C)(C)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065662	0	39	-1.0	-47.09	333.18	-0.33	-47.42
C[C@@H](CNC(=O)[C@@H]1C[C@H]1CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005065663	0	35	-1.0	-45.67	311.19	0.33	-45.34
C[C@@H](CNC(=O)C(F)=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065664	0	36	-1.0	-44.99	317.50	0.83	-44.16
CCC(CO)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065665	0	38	-1.0	-44.85	320.21	-3.13	-47.98
C[C@@H](CNC(=O)CC(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065666	0	39	-1.0	-46.41	335.67	-1.36	-47.77
CC(=CC1CC1)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065667	0	39	-1.0	-44.19	331.94	1.56	-42.63
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065668	0	33	-1.0	-51.60	300.20	-0.18	-51.78
C[C@@H](CNC(=O)CC1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065669	0	34	-1.0	-49.62	308.14	-3.41	-53.03
C[C@@H](CNC(=O)C1=COCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065670	0	34	-1.0	-44.66	299.41	-1.42	-46.08
C[C@@H](CNC(=O)CCC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065671	0	41	-1.0	-44.99	342.60	-2.45	-47.44
CC1=CC=C(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005065672	0	36	-1.0	-45.23	317.13	-0.59	-45.82
C[C@@H](CNC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065673	0	33	-1.0	-44.32	291.54	-3.55	-47.87
C[C@@H](CNC(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065674	0	33	-1.0	-44.91	293.18	0.03	-44.88
C[C@@H](CNC(=O)C1=NOC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065675	0	36	-1.0	-47.02	317.84	-1.64	-48.66
CC(CF)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065676	0	34	-1.0	-43.51	298.24	-0.44	-43.95
CC(Cl)=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065677	0	32	-1.0	-45.13	298.26	-0.13	-45.26
CC=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065678	0	32	-1.0	-44.61	286.28	-0.64	-45.25
CCC(F)(F)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065679	0	34	-1.0	-43.76	304.47	-0.34	-44.10
C[C@@H](CNC(=O)C1(C)CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065680	0	35	-1.0	-46.79	305.67	0.22	-46.57
C[C@@H](CNC(=O)[C@@H]1CCC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065681	0	35	-1.0	-49.81	311.06	-0.01	-49.82
C[C@@H](CNC(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005065682	0	32	-1.0	-45.59	292.46	-0.53	-46.12
C[C@@H](CNC(=O)C(F)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065683	0	38	-1.0	-44.15	332.06	1.10	-43.05
C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065684	0	34	-1.0	-51.94	305.09	-4.67	-56.61
C[C@@H](CNC(=O)CCCCC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065685	0	38	-1.0	-48.91	336.56	0.82	-48.09
C[C@@H](CNC(=O)C1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065686	0	36	-1.0	-46.82	316.90	-3.35	-50.17
C[C@@H](CNC(=O)C1=CC=NO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065687	0	31	-1.0	-46.70	286.81	-1.52	-48.22
C[C@@H](CNC(=O)C1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065689	0	36	-1.0	-50.59	315.02	-3.36	-53.95
C[C@H](O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065690	0	32	-1.0	-44.66	283.50	-3.38	-48.04
C[C@@H](CNC(=O)C1=CC=C(F)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065691	0	32	-1.0	-45.37	298.75	-0.84	-46.21
CON=CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065692	0	32	-1.0	-47.17	295.17	-2.68	-49.85
C#CCC(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065693	0	39	-1.0	-43.96	334.60	1.05	-42.91
C[C@@H](CNC(=O)C1CC(C)(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065694	0	38	-1.0	-45.77	325.71	0.67	-45.10
CCC(C)(OC)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065695	0	41	-1.0	-45.87	335.67	-0.10	-45.97
CC(C)[C@H](O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065696	0	38	-1.0	-43.85	320.33	-1.82	-45.67
C#CC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065697	0	34	-1.0	-44.42	308.92	0.59	-43.83
C[C@@H](CNC(=O)[C@H]1CCC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065698	0	35	-1.0	-52.62	311.21	0.08	-52.54
C=CC=CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065699	0	36	-1.0	-44.66	320.87	0.72	-43.94
C#CC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005065700	0	37	-1.0	-44.23	324.54	1.02	-43.21
C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065701	0	41	0.0	-61.87	328.27	0.02	-61.85
C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065701	1	41	0.0	-60.09	334.10	0.49	-59.60
C[C@@H](CNC(=O)[C@@H]1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065701	1	40	-1.0	-44.88	333.40	-1.94	-46.82
C[C@@H](CNC(=O)C1CC=CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065702	0	37	-1.0	-46.52	318.78	-0.01	-46.53
C[C@@H](CNC(=O)C1=CC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065703	0	39	-1.0	-44.49	335.51	1.24	-43.25
C#C[C@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065704	0	34	-1.0	-46.18	306.09	0.69	-45.49
C[C@@H](CNC(=O)C1(N=[N+]=[N-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065705	0	34	-1.0	-44.82	306.44	-3.40	-48.22
CCC(CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)OC	REAL250005065706	0	41	-1.0	-44.65	341.30	0.01	-44.64
C[C@@H](CNC(=O)C1=CSC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065707	0	31	-1.0	-47.17	295.35	-1.95	-49.12
CC=C(CC)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065708	0	38	-1.0	-44.20	322.06	0.74	-43.46
C[C@@H](CNC(=O)CC12CC(C1)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065709	0	39	-1.0	-44.42	326.95	1.46	-42.96
CCC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005065710	0	41	-1.0	-44.73	335.34	-2.46	-47.19
COC(F)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065711	0	32	-1.0	-46.58	291.33	-2.41	-48.99
C[C@@H](CNC(=O)C1(C#N)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065712	0	36	-1.0	-48.66	318.33	0.19	-48.47
C[C@@H](CNC(=O)C=C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065713	0	39	-1.0	-44.31	328.13	1.35	-42.96
C[C@@H](CNC(=O)CC(C)(C)C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065714	0	38	-1.0	-45.49	325.19	0.25	-45.24
COCC(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065715	0	36	-1.0	-45.18	316.85	-4.08	-49.26
C[C@@H](CNC(=O)[C@@H]1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065716	0	32	-1.0	-46.12	294.72	-0.29	-46.41
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065717	0	33	-1.0	-46.45	304.23	-0.05	-46.50
C=C(C)CCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065718	0	41	-1.0	-44.45	350.16	1.54	-42.91
C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065719	0	36	-1.0	-46.69	310.88	-3.39	-50.08
C[C@@H](CNC(=O)CC1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065720	0	41	-1.0	-44.05	343.67	1.44	-42.61
C[C@@H](CNC(=O)C1=C(Cl)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065721	0	33	-1.0	-45.62	310.77	0.59	-45.03
C[C@@H](CNC(=O)[C@]12C[C@H]1[C@H](F)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065722	0	36	-1.0	-45.63	318.30	0.81	-44.82
C[C@@H](CNC(=O)C1=CNC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065723	0	32	-1.0	-52.33	297.02	-3.68	-56.01
CC(C)[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065724	0	41	-1.0	-43.84	345.08	1.51	-42.33
C[C@@H](CNC(=O)COCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005065725	0	36	-1.0	-50.23	318.66	-4.05	-54.28
C[C@@H](CNC(=O)C(C)(C)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005065726	0	37	-1.0	-43.14	316.14	0.06	-43.08
CC(C)[C@@H](O)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065727	0	41	-1.0	-46.07	339.32	-1.36	-47.43
C[C@@H](CNC(=O)C(C)(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005065728	0	38	-1.0	-44.58	320.49	-3.23	-47.81
C=CCC(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065729	0	38	-1.0	-43.58	323.66	0.60	-42.98
C[C@@H](CNC(=O)C1CCCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065730	0	41	-1.0	-43.66	331.78	1.22	-42.44
C[C@@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)NC(=O)C1=CC(=O)[N-]O1	REAL250005065731	0	39	-1.0	-43.66	321.68	1.19	-42.47
C[C@@H](CNC(=O)C1(C)CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065732	0	38	-1.0	-45.46	323.26	0.64	-44.82
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065733	0	35	-1.0	-44.04	304.61	0.20	-43.84
C[C@@H](CNC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065734	0	35	-1.0	-44.15	303.19	-3.82	-47.97
CSC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065735	0	36	-1.0	-44.62	328.71	0.55	-44.07
C[C@@H](CNC(=O)C1=NOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065736	0	33	-1.0	-47.28	296.74	-2.40	-49.68
CC(C#N)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065737	0	35	-1.0	-46.33	310.25	-0.21	-46.54
C[C@@H](CNC(=O)C[N@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065738	0	41	0.0	-59.89	337.56	0.88	-59.01
C[C@@H](CNC(=O)C[N@@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065738	1	41	0.0	-60.02	337.71	0.87	-59.15
C[C@@H](CNC(=O)CN(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065738	1	40	-1.0	-44.50	331.58	-1.51	-46.01
C[C@@H](CNC(=O)CCOC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065739	0	39	-1.0	-44.96	338.60	-0.43	-45.39
C[C@@H](CNC(=O)CCCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005065740	0	41	-1.0	-46.60	348.62	-2.25	-48.85
CC(CCO)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065741	0	38	-1.0	-46.60	321.80	-3.30	-49.90
C[C@@H](CNC(=O)C(F)=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065742	0	36	-1.0	-44.51	322.80	0.98	-43.53
C[C@@H](CNC(=O)CC1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065743	0	38	-1.0	-44.56	327.26	0.89	-43.67
C[C@@H](CNC(=O)[C@H](O)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005065744	0	32	-1.0	-46.66	289.81	-3.23	-49.89
C[C@@H](CNC(=O)C1(CCO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065745	0	39	-1.0	-46.16	336.28	-2.63	-48.79
CC(C)C(C)(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065746	0	41	-1.0	-44.01	334.70	-2.39	-46.40
C[C@@H](CNC(=O)C1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065747	0	36	-1.0	-44.85	306.10	-3.04	-47.89
C[C@@H](CNC(=O)C(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065748	0	36	-1.0	-44.45	315.48	-1.85	-46.30
C[C@@H](CNC(=O)CN1C=NN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065749	0	34	-1.0	-53.72	308.20	1.52	-52.20
C=C(C)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065750	0	35	-1.0	-44.29	307.27	-0.04	-44.33
C[C@@H](CNC(=O)C(C)(C)C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065751	0	35	-1.0	-47.83	310.54	-0.46	-48.29
CCSCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065752	0	35	-1.0	-45.82	317.24	0.08	-45.74
CC(=O)OCCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065753	0	37	-1.0	-49.19	329.72	-0.27	-49.46
CC(C)=C(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065754	0	38	-1.0	-43.85	317.01	0.76	-43.09
C[C@@H](CNC(=O)CCC1(C)N=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065755	0	37	-1.0	-44.90	326.37	-4.61	-49.51
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065756	0	31	-2.0	-94.71	293.29	-4.08	-98.79
C[C@@H](CNC(=O)COC1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065757	0	37	-1.0	-47.67	325.09	-2.34	-50.01
C[C@@H](CNC(=O)[C@@]12C[C@@H]1[C@H](C)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005065758	0	39	-1.0	-44.07	331.34	1.33	-42.74
CNC(=O)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065759	0	35	-1.0	-53.26	308.80	-2.19	-55.45
C[C@@H](CNC(=O)C1=NN=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065760	0	34	-1.0	-52.16	304.57	0.15	-52.01
C[C@@H](CNC(=O)[C@H]1CCO[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065761	0	39	-1.0	-45.97	324.93	-1.23	-47.20
C[C@@H](CNC(=O)C1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065762	0	35	-1.0	-45.84	306.08	0.13	-45.71
CCC(O)C(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065763	0	41	-1.0	-45.93	340.30	-1.36	-47.29
C[C@@H](CNC(=O)CC1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065764	0	36	-1.0	-49.20	318.06	-3.93	-53.13
C[C@@H](CNC(=O)C(O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065765	0	39	-1.0	-43.93	327.04	-1.00	-44.93
C[C@@H](CNC(=O)CC1C[NH+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065766	0	41	0.0	-64.76	339.74	0.30	-64.46
C[C@@H](CNC(=O)C1CC(C)(O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065767	0	39	-1.0	-46.34	330.35	-2.79	-49.13
C=CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065768	0	32	-1.0	-44.38	285.62	-0.70	-45.08
C[C@@H](CNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065769	0	37	0.0	-62.94	308.29	-0.53	-63.47
C[C@@H](CNC(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065769	1	36	-1.0	-44.71	306.21	-2.91	-47.62
C[C@@H](CNC(=O)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005065770	0	29	-1.0	-51.16	272.17	-1.57	-52.73
C[C@@H](CNC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065771	0	32	-1.0	-44.50	290.02	-0.38	-44.88
C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065772	0	40	0.0	-61.39	326.40	-0.13	-61.52
C[C@@H](CNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065772	1	39	-1.0	-44.17	318.67	-2.49	-46.66
C[C@@H](CNC(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005065773	0	31	-1.0	-44.19	279.30	-1.10	-45.29
C[C@@H](CNC(=O)C1=CC(F)=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065774	0	32	-1.0	-45.36	297.03	-2.67	-48.03
C[C@@H](CNC(=O)C1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065775	0	36	-1.0	-44.02	308.35	0.54	-43.48
CCC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005065776	0	39	-1.0	-45.82	325.60	-1.25	-47.07
C#CC(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065777	0	36	-1.0	-45.74	316.96	0.41	-45.33
C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065778	0	35	-1.0	-52.01	308.95	-5.81	-57.82
C[C@@H](CNC(=O)CN1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065779	0	40	-1.0	-45.71	336.53	-2.35	-48.06
C[C@@H](CNC(=O)C[N@@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065779	1	41	0.0	-61.14	339.62	0.53	-60.61
C[C@@H](CNC(=O)C[N@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065779	1	41	0.0	-60.20	334.08	0.29	-59.91
C[C@@H](CNC(=O)C=CC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065780	0	41	0.0	-67.50	345.52	0.72	-66.78
C[C@@H](CNC(=O)C1=CCSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065781	0	34	-1.0	-45.27	308.33	0.32	-44.95
CO[C@H](C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065782	0	35	-1.0	-46.28	305.22	-1.18	-47.46
CC(=O)CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065783	0	36	-1.0	-46.95	317.29	-0.57	-47.52
C[C@@H](CNC(=O)C1CCCC1O)NC(=O)C1=CC(=O)[N-]O1	REAL250005065784	0	39	-1.0	-46.32	325.96	-2.61	-48.93
C[C@@H](O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065785	0	32	-1.0	-45.20	283.51	-3.38	-48.58
CC[NH+](CC)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065786	0	43	0.0	-60.63	339.88	0.56	-60.07
C[C@@H](CNC(=O)CN1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065787	0	37	-1.0	-45.09	314.08	-3.33	-48.42
C[C@@H](CNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065787	1	38	0.0	-62.23	318.39	-0.10	-62.33
CC(C)C(O)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065788	0	41	-1.0	-46.08	339.31	-1.36	-47.44
C[C@@H](CNC(=O)C1COC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065789	0	35	-1.0	-49.20	309.18	-0.83	-50.03
CC(O)C(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065790	0	38	-1.0	-46.20	319.76	-2.17	-48.37
C[C@@H](CNC(=O)C1(O)CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065791	0	37	-1.0	-45.74	314.91	-5.01	-50.75
CCC(C)(C#N)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065792	0	38	-1.0	-45.69	327.30	0.02	-45.67
C=C1CC1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065793	0	33	-1.0	-44.70	296.79	0.09	-44.61
C[C@@H](CNC(=O)CC1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065794	0	39	-1.0	-44.19	328.75	1.27	-42.92
C[C@@H](CNC(=O)CC1OCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065795	0	37	-1.0	-46.82	319.84	-1.78	-48.60
COC(OC)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065796	0	36	-1.0	-47.34	310.84	-2.22	-49.56
C[C@@H](CNC(=O)CC1(C#N)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065797	0	36	-1.0	-51.93	320.69	0.36	-51.57
COC(=O)CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065798	0	37	-1.0	-46.77	328.17	-0.45	-47.22
C[C@@H](CNC(=O)C1=CCCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065799	0	37	-1.0	-45.53	315.43	-1.12	-46.65
C[C@@H](CNC(=O)C(O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065800	0	41	-1.0	-43.05	333.94	-2.25	-45.30
C[C@@H](CNC(=O)C1(C)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065801	0	36	-1.0	-44.29	308.35	-2.17	-46.46
C[C@@H](CNC(=O)C1=CCCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065802	0	37	-1.0	-45.34	317.10	-0.54	-45.88
C[C@@H](CNC(=O)C1(C)CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065803	0	39	-1.0	-45.01	326.77	-1.05	-46.06
C[C@@H](CNC(=O)C1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065804	0	33	-1.0	-50.11	297.09	-4.68	-54.79
C[C@@H](CNC(=O)[C@@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065805	0	33	-1.0	-50.08	297.62	-4.80	-54.88
C[C@@H](CNC(=O)C1=CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065806	0	39	-1.0	-44.23	324.11	1.26	-42.97
CCC[C@H](O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065807	0	38	-1.0	-44.26	325.50	-1.78	-46.04
C[C@@H](CNC(=O)C1(C)CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065808	0	41	-1.0	-43.62	332.67	1.00	-42.62
CC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005065809	0	40	-1.0	-44.93	332.31	-2.61	-47.54
CC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005065809	1	41	0.0	-60.27	336.44	0.53	-59.74
C[C@@H](CNC(=O)[C@H]1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005065810	0	32	-1.0	-46.68	296.23	-0.32	-47.00
C[C@@H](CNC(=O)CC1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065811	0	35	-1.0	-48.13	312.57	-1.78	-49.91
C[C@@H](CNC(=O)C1(C)CC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065812	0	37	-1.0	-45.76	319.88	-0.33	-46.09
C[C@@H](CNC(=O)CC1=CNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065813	0	36	-1.0	-47.23	317.43	-0.36	-47.59
CCCC(C)(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065814	0	41	-1.0	-43.88	341.31	-2.39	-46.27
CCOC(C)(C)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065815	0	41	-1.0	-46.19	339.01	0.22	-45.97
C[C@@H](CNC(=O)CC1CC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065816	0	37	-1.0	-48.04	323.36	-0.10	-48.14
C[C@@H](CNC(=O)CC1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065817	0	36	-1.0	-46.22	320.39	0.44	-45.78
C[C@@H](CNC(=O)C1(F)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065818	0	35	-1.0	-43.55	305.90	0.06	-43.49
C[C@@H](CNC(=O)C1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065819	0	32	-1.0	-46.85	290.03	-1.41	-48.26
CC1=NOC(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005065820	0	33	-1.0	-47.43	303.64	-3.49	-50.92
CCOC(=O)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065821	0	37	-1.0	-50.21	326.52	0.66	-49.55
C[C@@H](CNC(=O)C1CC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065822	0	34	-1.0	-46.51	302.17	-0.89	-47.40
C[C@@H](CNC(=O)CN1C=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065823	0	34	-1.0	-53.68	306.79	-2.12	-55.80
C=CC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005065824	0	39	-1.0	-43.62	326.68	1.54	-42.08
C[C@@H](CNC(=O)C1(O)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065825	0	34	-1.0	-46.28	298.49	-5.79	-52.07
CCC(C)C(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065826	0	41	-1.0	-44.31	336.24	-2.14	-46.45
CC(C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005065827	0	36	-1.0	-45.02	315.49	0.98	-44.04
CC1=CC1C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065828	0	33	-1.0	-45.53	298.24	0.23	-45.30
C[C@@H](CNC(=O)C(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065829	0	35	-1.0	-47.76	305.44	-2.43	-50.19
CC(=O)C1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065830	0	37	-1.0	-47.36	329.44	-0.12	-47.48
CCCC(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065831	0	38	-1.0	-44.26	325.50	-1.78	-46.04
CCCCC(O)C(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065832	0	41	-1.0	-44.30	347.00	-1.00	-45.30
C[C@@H](CNC(=O)CSC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065833	0	36	-1.0	-45.62	327.82	0.90	-44.72
CCC(O)CC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065834	0	38	-1.0	-46.47	324.88	-2.09	-48.56
CNC(=O)CCC(=O)NC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005065835	0	38	-1.0	-49.15	332.32	-2.93	-52.08
C[C@@H](CNC(=O)CCCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005065836	0	37	-1.0	-44.85	322.30	0.44	-44.41
C[C@@H](CNC(=O)C1=CSN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065837	0	31	-1.0	-45.77	293.79	-1.30	-47.07
C[C@@H](CNC(=O)C1CCC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065838	0	37	-1.0	-47.88	319.74	-0.25	-48.13
C[C@@H](CNC(=O)[C@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065839	0	33	-1.0	-49.89	297.65	-4.57	-54.46
C[C@@H](CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065840	0	34	-1.0	-51.89	307.72	0.60	-51.29
COC1(C(=O)NC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065841	0	36	-1.0	-44.44	315.68	-1.74	-46.18
C[C@@H](CNC(=O)C1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065842	0	33	-1.0	-44.75	299.44	-0.40	-45.15
C[C@@H](CNC(=O)C1=CN=C(N)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065843	0	33	-1.0	-46.31	302.26	-6.16	-52.47
C[C@@H](CNC(=O)CC1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065844	0	39	-1.0	-44.89	334.27	-2.57	-47.46
C[C@@H](CNC(=O)C1CCC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065845	0	37	-1.0	-46.23	318.42	0.38	-45.85
C[C@@H](CNC(=O)C1(O)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005065846	0	39	-1.0	-44.05	324.00	-2.41	-46.46
CCC1(C(=O)N[C@@H](C)CNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005065847	0	39	-1.0	-45.83	325.60	-1.27	-47.10
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCCO1	REAL250005065848	0	39	-1.0	-45.17	326.77	-1.05	-46.22
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N1	REAL250005065849	0	33	-1.0	-52.27	297.67	-4.58	-56.85
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCO[C@H]1C	REAL250005065850	0	39	-1.0	-47.59	324.20	-1.26	-48.85
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(F)C1	REAL250005065851	0	35	-1.0	-47.65	306.05	0.10	-47.55
CCC(O)C(C)C(=O)N[C@@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005065852	0	41	-1.0	-46.82	338.02	-1.37	-48.19
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC(=O)N1	REAL250005065853	0	36	-1.0	-49.66	318.06	-3.95	-53.61
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CCC1	REAL250005065854	0	39	-1.0	-44.89	327.05	-1.03	-45.92
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NO1	REAL250005065855	0	31	-1.0	-46.28	286.81	-1.54	-47.82
CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065856	0	34	-1.0	-45.14	283.06	0.91	-44.23
COCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065857	0	38	-1.0	-46.10	316.74	-0.02	-46.12
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005065858	0	35	-1.0	-53.57	295.36	1.55	-52.02
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005065859	0	38	-1.0	-53.40	310.09	2.10	-51.30
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1	REAL250005065860	0	41	-1.0	-53.65	326.40	2.71	-50.94
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005065861	0	38	-1.0	-45.25	314.00	2.45	-42.80
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)F	REAL250005065862	0	37	-1.0	-44.57	309.88	1.56	-43.01
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(F)F	REAL250005065863	0	34	-1.0	-47.65	294.92	1.10	-46.55
COCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065864	0	35	-1.0	-47.69	295.79	0.28	-47.41
CCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065865	0	37	-1.0	-45.07	304.56	1.68	-43.39
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CO1	REAL250005065866	0	35	-1.0	-49.03	301.90	1.26	-47.77
CC(=O)NCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065867	0	38	-1.0	-50.56	321.74	-1.40	-51.96
CC(C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065868	0	40	-1.0	-44.80	321.29	2.27	-42.53
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005065869	0	38	-1.0	-53.04	315.25	2.26	-50.78
CCOCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065870	0	38	-1.0	-47.73	317.64	1.24	-46.49
CC(C)=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065871	0	38	-1.0	-45.88	312.64	2.17	-43.71
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCO1	REAL250005065872	0	39	-1.0	-46.79	318.97	1.54	-45.25
CSCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065873	0	35	-1.0	-46.58	306.13	1.34	-45.24
CC(C)CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065874	0	43	-1.0	-45.04	343.63	2.96	-42.08
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1	REAL250005065875	0	36	-1.0	-56.34	305.86	0.91	-55.43
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=C1	REAL250005065876	0	35	-1.0	-48.43	301.06	1.22	-47.21
CCCCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065877	0	43	-1.0	-45.06	347.56	3.24	-41.82
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C	REAL250005065878	0	43	-1.0	-44.23	336.26	2.80	-41.43
CCCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065879	0	40	-1.0	-45.08	326.06	2.46	-42.62
CC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065880	0	37	-1.0	-45.22	302.62	1.57	-43.65
CCC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065881	0	40	-1.0	-45.00	320.74	2.20	-42.80
CCC(CC)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065882	0	43	-1.0	-45.54	337.02	2.64	-42.90
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1	REAL250005065883	0	35	-1.0	-47.63	300.27	-0.32	-47.95
CCOC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065884	0	41	-1.0	-47.30	337.43	1.93	-45.37
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1	REAL250005065885	0	35	-1.0	-49.62	300.56	-0.35	-49.97
COCCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065886	0	41	-1.0	-46.65	338.24	0.75	-45.90
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC=C1	REAL250005065887	0	34	-1.0	-53.29	298.93	0.35	-52.94
CCC=C(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065888	0	41	-1.0	-46.44	331.76	2.97	-43.47
COC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065889	0	38	-1.0	-47.55	315.57	0.96	-46.59
CC(C)OCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065890	0	41	-1.0	-47.79	337.91	1.97	-45.82
CCCOCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065891	0	41	-1.0	-47.55	339.14	2.04	-45.51
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1	REAL250005065892	0	39	-1.0	-48.98	317.09	0.24	-48.74
CCC(OC)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065893	0	41	-1.0	-46.86	336.38	1.79	-45.07
COC(C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065894	0	41	-1.0	-45.54	335.88	1.50	-44.04
C=CCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065895	0	38	-1.0	-45.25	317.38	2.24	-43.01
CCOCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065896	0	41	-1.0	-46.28	338.59	0.95	-45.33
COCC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065897	0	41	-1.0	-45.59	335.45	0.67	-44.92
C=CCOCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065898	0	39	-1.0	-48.10	330.54	1.81	-46.29
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=N1	REAL250005065899	0	34	-1.0	-52.90	297.76	-2.26	-55.16
CCCC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065900	0	43	-1.0	-45.02	342.24	2.96	-42.06
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CC1	REAL250005065901	0	41	-1.0	-45.05	336.18	3.23	-41.82
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CC1	REAL250005065902	0	39	-1.0	-53.31	320.39	2.55	-50.76
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCC1	REAL250005065903	0	41	-1.0	-45.13	330.97	2.97	-42.16
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C1CC1	REAL250005065904	0	41	-1.0	-45.46	331.92	3.02	-42.44
CC=C(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065905	0	38	-1.0	-46.48	311.37	2.21	-44.27
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)C1	REAL250005065906	0	41	-1.0	-53.14	332.57	2.72	-50.42
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCC1	REAL250005065907	0	39	-1.0	-47.10	322.23	2.91	-44.19
CC(C)=C(F)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065908	0	38	-1.0	-47.37	317.41	2.26	-45.11
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCC1	REAL250005065909	0	39	-1.0	-53.31	319.94	2.71	-50.60
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(C)C	REAL250005065910	0	41	-1.0	-45.20	330.18	2.90	-42.30
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(C)C	REAL250005065911	0	41	-1.0	-52.23	331.06	2.81	-49.42
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCO1	REAL250005065912	0	39	-1.0	-57.71	321.11	1.30	-56.41
CCC(C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065913	0	43	-1.0	-44.71	339.52	2.94	-41.77
C#CCCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065914	0	39	-1.0	-46.77	331.84	2.98	-43.79
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)O	REAL250005065915	0	41	-1.0	-46.10	330.05	-0.01	-46.11
CC(C)[C@@H](O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065916	0	41	-1.0	-53.76	330.99	0.57	-53.19
CCC(C)=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065917	0	41	-1.0	-45.99	334.30	2.97	-43.02
CC(C)C#CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065918	0	39	-1.0	-49.27	332.45	2.95	-46.32
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1CC1	REAL250005065919	0	37	-1.0	-49.44	322.13	3.12	-46.32
C=C(C)CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065920	0	41	-1.0	-45.42	338.99	2.90	-42.52
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005065921	0	38	-1.0	-45.88	310.68	2.28	-43.60
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCO1	REAL250005065922	0	39	-1.0	-57.25	318.72	1.28	-55.97
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNN=C1	REAL250005065923	0	34	-1.0	-51.72	297.75	-1.87	-53.59
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1	REAL250005065923	1	34	-1.0	-46.99	295.07	-1.70	-48.69
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C)CC1	REAL250005065924	0	41	-1.0	-53.30	336.59	2.85	-50.45
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CO1	REAL250005065925	0	34	-1.0	-53.66	297.76	-2.16	-55.82
C=CC(C)(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065926	0	41	-1.0	-45.90	330.26	2.52	-43.38
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005065927	0	38	-1.0	-45.69	314.02	2.38	-43.31
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCC1	REAL250005065928	0	41	-1.0	-53.31	327.86	2.63	-50.68
CCC(F)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065929	0	37	-1.0	-47.72	310.84	1.72	-46.00
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCCF	REAL250005065930	0	37	-1.0	-45.96	311.15	1.82	-44.14
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005065931	0	38	-1.0	-53.31	316.74	2.23	-51.08
C=CCCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065932	0	41	-1.0	-45.23	338.87	3.02	-42.21
CCC(C)(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065933	0	43	-1.0	-45.29	335.73	2.62	-42.67
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005065934	0	32	-1.0	-50.59	278.41	-3.76	-54.35
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1C	REAL250005065935	0	41	-1.0	-45.46	334.59	3.15	-42.31
CCC1(C(=O)NC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065936	0	41	-1.0	-46.61	335.67	2.86	-43.75
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CC1	REAL250005065937	0	38	-1.0	-44.83	313.84	2.40	-42.43
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005065938	0	40	-1.0	-53.09	321.80	2.05	-51.04
CC(C)C(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065939	0	43	-1.0	-44.90	336.64	2.78	-42.12
CC[C@@H]1C[C@H]1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065940	0	41	-1.0	-53.44	338.16	2.99	-50.45
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CC2	REAL250005065941	0	39	-1.0	-45.66	325.92	3.22	-42.44
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC(=O)N1	REAL250005065942	0	36	-1.0	-62.27	309.32	-2.86	-65.13
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC(=O)N1	REAL250005065943	0	36	-1.0	-60.38	307.82	-2.82	-63.20
COC1(C(=O)NC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005065944	0	39	-1.0	-48.49	324.27	0.73	-47.76
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CSC1	REAL250005065945	0	36	-1.0	-52.93	309.96	1.75	-51.18
C=CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065946	0	35	-1.0	-45.62	295.98	1.45	-44.17
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005065947	0	40	0.0	-53.09	318.65	1.64	-51.45
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005065947	1	39	-1.0	-45.71	316.57	-0.75	-46.46
C=CC(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065948	0	36	-1.0	-46.78	307.07	-0.69	-47.47
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005065949	0	36	-1.0	-45.40	300.42	-0.58	-45.98
CO[C@H](C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065950	0	38	-1.0	-47.62	314.76	1.01	-46.61
CC=CC(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065951	0	39	-1.0	-46.94	328.78	0.17	-46.77
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005065952	0	43	0.0	-67.98	336.53	1.98	-66.00
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005065952	1	42	-1.0	-53.65	328.22	-0.52	-54.17
CCC=C(F)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065953	0	38	-1.0	-47.49	321.91	2.33	-45.16
CCC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065954	0	38	-1.0	-46.19	317.72	2.29	-43.90
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CO	REAL250005065956	0	41	-1.0	-46.52	330.85	-1.08	-47.60
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCC1	REAL250005065957	0	38	-1.0	-48.49	316.17	2.23	-46.26
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005065958	0	32	-1.0	-48.65	273.53	-2.00	-50.65
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(N)=O	REAL250005065959	0	36	-1.0	-51.99	313.02	-2.45	-54.44
CC(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065960	0	35	-1.0	-48.24	294.20	-1.26	-49.50
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCC1	REAL250005065961	0	39	-1.0	-47.15	317.11	-0.84	-47.99
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CC1	REAL250005065962	0	39	-1.0	-54.03	327.63	0.19	-53.84
C=CCC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065963	0	41	-1.0	-45.10	335.24	2.79	-42.31
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005065964	0	35	-1.0	-45.60	300.38	1.76	-43.84
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005065965	0	43	0.0	-67.98	336.53	1.98	-66.00
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005065965	1	42	-1.0	-53.65	328.22	-0.52	-54.17
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005065966	0	34	-1.0	-44.92	289.66	1.05	-43.87
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)COC1	REAL250005065967	0	37	-1.0	-53.27	310.44	-3.22	-56.49
CC(C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005065968	0	39	-1.0	-47.50	325.05	3.19	-44.31
CCC1CC1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065969	0	41	-1.0	-52.69	331.19	3.05	-49.64
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC1	REAL250005065970	0	39	-1.0	-56.97	325.37	-1.16	-58.13
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005065971	0	35	-1.0	-47.39	302.82	1.65	-45.74
C#CCCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065972	0	36	-1.0	-45.95	310.35	2.20	-43.75
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1	REAL250005065973	0	40	-1.0	-53.82	324.73	-1.26	-55.08
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005065973	1	41	0.0	-67.77	329.05	1.96	-65.81
C#C[C@H]1C[C@H]1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065974	0	37	-1.0	-46.73	316.43	2.92	-43.81
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCC21	REAL250005065975	0	39	-1.0	-53.61	316.57	2.92	-50.69
C=C1CCC1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065976	0	39	-1.0	-46.51	317.46	2.46	-44.05
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005065977	0	41	-1.0	-45.69	331.45	2.97	-42.72
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005065978	0	43	0.0	-54.42	335.99	2.08	-52.34
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)N(C)C	REAL250005065978	1	42	-1.0	-45.34	329.94	-0.34	-45.68
CC=CC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065979	0	39	-1.0	-46.81	331.80	2.96	-43.85
COCC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065980	0	39	-1.0	-47.75	329.99	0.57	-47.18
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)COC1	REAL250005065981	0	39	-1.0	-54.05	320.54	-0.10	-54.15
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005065982	0	36	-1.0	-57.84	302.83	0.35	-57.49
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCN=[N+]=[N-]	REAL250005065983	0	36	-1.0	-44.85	313.20	-2.47	-47.32
C#CCOCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065984	0	37	-1.0	-49.81	323.43	1.77	-48.04
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005065985	0	38	-1.0	-46.77	313.54	-1.67	-48.44
CC1=CC1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065986	0	36	-1.0	-48.05	307.85	2.41	-45.64
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)N(C)C	REAL250005065987	0	38	-1.0	-51.42	315.69	-0.25	-51.67
CSC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065988	0	36	-1.0	-47.19	318.68	1.84	-45.35
CCC(C)(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065989	0	41	-1.0	-44.71	330.37	-0.97	-45.68
CC[N@H+](C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065990	0	43	0.0	-67.24	336.67	2.22	-65.02
CC[N@@H+](C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065990	1	43	0.0	-52.55	335.60	2.32	-50.23
CCN(C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065990	1	42	-1.0	-45.71	334.54	0.04	-45.67
C=C1CC(C(=O)NC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005065991	0	39	-1.0	-45.55	323.31	2.71	-42.84
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1F	REAL250005065992	0	38	-1.0	-47.57	315.63	2.32	-45.25
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1	REAL250005065993	0	35	-1.0	-47.74	299.60	0.78	-46.96
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCO1	REAL250005065994	0	37	-1.0	-48.50	310.38	0.82	-47.68
CCC[C@H](O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065995	0	41	-1.0	-46.51	335.85	0.37	-46.14
CC(C)[C@H](O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065996	0	41	-1.0	-46.35	329.36	0.32	-46.03
CCOC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005065997	0	39	-1.0	-48.51	329.70	1.15	-47.36
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)O	REAL250005065998	0	35	-1.0	-54.71	294.16	-1.31	-56.02
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005065999	0	36	-1.0	-48.87	307.74	-1.83	-50.70
COC(C)(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066000	0	41	-1.0	-47.78	327.52	1.44	-46.34
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCO	REAL250005066001	0	41	-1.0	-47.12	337.48	-0.87	-47.99
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CC1	REAL250005066002	0	39	-1.0	-48.24	325.87	-1.15	-49.39
COC(F)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066003	0	35	-1.0	-48.48	301.69	-0.25	-48.73
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC1CC2	REAL250005066004	0	39	-1.0	-46.62	321.25	2.92	-43.70
C=C[C@H](C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066005	0	41	-1.0	-51.95	334.37	2.71	-49.24
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CC1	REAL250005066006	0	39	-1.0	-46.28	328.62	3.11	-43.17
CC=C(CC)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066007	0	41	-1.0	-46.51	332.40	2.90	-43.61
C=CC(C)(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066008	0	39	-1.0	-47.03	323.73	-0.93	-47.96
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005066009	0	36	-1.0	-47.32	304.06	2.25	-45.07
CON=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066010	0	35	-1.0	-48.41	305.53	-0.50	-48.91
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005066011	0	35	-1.0	-46.36	298.86	1.78	-44.58
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOCC1	REAL250005066012	0	36	-1.0	-49.77	307.40	-0.30	-50.07
C#CC(C)(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066013	0	39	-1.0	-47.25	327.32	2.56	-44.69
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC1	REAL250005066014	0	39	-1.0	-48.04	328.01	2.02	-46.02
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1	REAL250005066015	0	35	-1.0	-52.82	301.81	-0.13	-52.95
CCCC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066016	0	41	-1.0	-46.18	339.22	3.07	-43.11
CC=C(F)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066017	0	35	-1.0	-47.30	301.61	1.60	-45.70
CCC(CO)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066018	0	41	-1.0	-43.88	330.36	-0.99	-44.87
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CO	REAL250005066019	0	38	-1.0	-46.34	313.20	-1.72	-48.06
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CON=C1	REAL250005066020	0	34	-1.0	-47.92	296.79	0.63	-47.29
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CF	REAL250005066021	0	38	-1.0	-56.20	323.34	2.36	-53.84
C#CC1(C(=O)NC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066022	0	37	-1.0	-47.02	318.48	2.77	-44.25
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCC1	REAL250005066023	0	37	-1.0	-46.65	309.76	0.75	-45.90
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005066024	0	35	-1.0	-53.45	293.02	-1.45	-54.90
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=CCC1	REAL250005066025	0	39	-1.0	-52.91	320.40	2.58	-50.33
CC(O)C(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066026	0	41	-1.0	-47.22	327.39	-0.03	-47.25
C=C1CC1C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066027	0	36	-1.0	-46.18	307.15	2.25	-43.93
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CF	REAL250005066028	0	37	-1.0	-44.53	308.42	1.69	-42.84
C=C(C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066029	0	38	-1.0	-45.25	317.59	2.11	-43.14
CC(C)=C(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066030	0	41	-1.0	-46.18	326.63	2.90	-43.28
CCCC(O)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066031	0	41	-1.0	-44.97	335.85	0.38	-44.59
CCC(O)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066032	0	41	-1.0	-46.46	335.24	0.05	-46.41
CC=CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066033	0	35	-1.0	-46.20	296.64	1.53	-44.67
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1F	REAL250005066034	0	38	-1.0	-50.90	317.84	2.28	-48.62
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005066035	0	39	-1.0	-47.34	321.19	-1.22	-48.56
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005066036	0	38	-1.0	-45.69	314.02	2.38	-43.31
CNC(=O)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066037	0	38	-1.0	-52.80	319.15	-0.06	-52.86
C=CC=CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066038	0	39	-1.0	-46.05	331.23	2.88	-43.17
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(N)=O	REAL250005066039	0	38	-1.0	-51.15	320.75	-2.26	-53.41
CC(O)CCC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066040	0	41	-1.0	-46.22	336.41	-0.83	-47.05
C#CCC(C)C(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066041	0	39	-1.0	-45.55	328.22	2.74	-42.81
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)CCO	REAL250005066042	0	41	-1.0	-47.50	332.17	-1.15	-48.65
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)CF	REAL250005066043	0	35	-1.0	-45.56	299.38	-1.04	-46.60
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005066044	0	36	-1.0	-51.83	302.20	-1.47	-53.30
CC(CN(C)C(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066045	0	38	-1.0	-50.89	316.20	2.60	-48.29
CC(CN(C)C(=O)C(C)(C)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005066046	0	37	-1.0	-46.00	306.84	1.29	-44.71
CC(CN(C)C(=O)C(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005066047	0	34	-1.0	-46.40	294.73	1.16	-45.24
COCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066048	0	35	-1.0	-51.48	299.89	0.33	-51.15
CCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066049	0	37	-1.0	-48.21	308.67	1.71	-46.50
CC(CN(C)C(=O)C1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066050	0	35	-1.0	-49.29	302.97	1.34	-47.95
CC(=O)NCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066051	0	38	-1.0	-51.37	325.55	-1.42	-52.79
CC(C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066052	0	40	-1.0	-47.82	325.39	2.31	-45.51
CC(CN(C)C(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066053	0	38	-1.0	-50.21	316.62	2.46	-47.75
CCOCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066054	0	38	-1.0	-51.47	321.75	1.29	-50.18
CC(C)=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066055	0	38	-1.0	-48.87	314.33	2.35	-46.52
CC(CN(C)C(=O)C1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066056	0	39	-1.0	-51.46	320.38	1.37	-50.09
CSCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066057	0	35	-1.0	-50.56	310.23	1.39	-49.17
CC(C)CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066058	0	43	-1.0	-48.09	347.73	3.01	-45.08
CC(CN(C)C(=O)C1=CC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066059	0	36	-1.0	-54.47	303.16	1.42	-53.05
CC(CN(C)C(=O)C1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066060	0	35	-1.0	-52.74	300.08	0.95	-51.79
CCCCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066061	0	43	-1.0	-48.19	351.67	3.27	-44.92
CC(CN(C)C(=O)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066062	0	43	-1.0	-47.12	340.36	2.83	-44.29
CCCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066063	0	40	-1.0	-48.28	330.17	2.49	-45.79
CC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066064	0	37	-1.0	-48.55	302.76	1.40	-47.15
CCC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066065	0	40	-1.0	-50.22	318.29	2.07	-48.15
CCC(CC)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066066	0	43	-1.0	-48.73	344.66	2.71	-46.02
CC(CN(C)C(=O)C1=NNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066067	0	35	-1.0	-51.94	302.10	-0.05	-51.99
CC(CN(C)C(=O)C1=CC=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066067	1	35	-1.0	-50.44	298.98	-0.17	-50.61
CCOC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066068	0	41	-1.0	-54.89	335.99	1.82	-53.07
CC(CN(C)C(=O)C1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066069	0	35	-1.0	-51.23	298.60	-0.71	-51.94
COCCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066070	0	41	-1.0	-50.53	342.34	0.78	-49.75
CC(CN(C)C(=O)C1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066071	0	34	-1.0	-50.62	298.03	0.75	-49.87
CCC=C(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066072	0	41	-1.0	-49.51	341.85	2.80	-46.71
COC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066073	0	38	-1.0	-53.32	312.93	0.82	-52.50
CC(C)OCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066074	0	41	-1.0	-51.52	342.02	2.03	-49.49
CCCOCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066075	0	41	-1.0	-51.37	343.25	2.09	-49.28
CC(CN(C)C(=O)C1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066076	0	39	-1.0	-48.23	316.47	0.12	-48.11
CCC(OC)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066077	0	41	-1.0	-50.90	334.37	1.61	-49.29
COC(C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066078	0	41	-1.0	-48.51	339.98	1.53	-46.98
C=CCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066079	0	38	-1.0	-48.40	321.48	2.27	-46.13
CCOCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066080	0	41	-1.0	-48.55	342.70	0.98	-47.57
COCC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066081	0	41	-1.0	-50.46	333.00	0.54	-49.92
C=CCOCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066082	0	39	-1.0	-51.93	334.65	1.87	-50.06
CC(CN(C)C(=O)C1=COC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066083	0	34	-1.0	-50.07	298.14	-1.27	-51.34
CC(C#N)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066084	0	35	-1.0	-58.03	300.90	1.14	-56.89
CCCC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066085	0	43	-1.0	-50.57	339.79	2.82	-47.75
CC(CN(C)C(=O)CCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066086	0	41	-1.0	-48.15	340.31	3.27	-44.88
CC(CN(C)C(=O)C1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066087	0	39	-1.0	-48.22	320.09	2.62	-45.60
CC(CN(C)C(=O)CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066088	0	41	-1.0	-47.71	333.80	3.01	-44.70
CC(CN(C)C(=O)C(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066089	0	41	-1.0	-51.70	330.64	2.97	-48.73
CC=C(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066090	0	38	-1.0	-51.86	314.50	2.05	-49.81
CC(CN(C)C(=O)C1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066091	0	41	-1.0	-51.77	331.79	2.92	-48.85
CC(CN(C)C(=O)C=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066092	0	39	-1.0	-48.27	324.23	2.94	-45.33
CC(C)=C(F)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066093	0	38	-1.0	-53.49	325.09	2.31	-51.18
CC(CN(C)C(=O)C1=CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066094	0	39	-1.0	-51.67	316.51	2.59	-49.08
CC(CN(C)C(=O)C1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066095	0	41	-1.0	-49.71	331.85	3.01	-46.70
CC(CN(C)C(=O)[C@H]1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066096	0	41	-1.0	-49.73	331.85	3.01	-46.72
CC(CN(C)C(=O)[C@@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066097	0	39	-1.0	-55.62	318.52	1.35	-54.27
CCC(C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066098	0	43	-1.0	-47.76	343.63	2.97	-44.79
C#CCCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066099	0	39	-1.0	-50.58	335.95	3.01	-47.57
CC(CN(C)C(=O)CC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005066100	0	41	-1.0	-48.60	331.37	0.37	-48.23
CC(C)[C@@H](O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066101	0	41	-1.0	-49.26	326.73	0.13	-49.13
CCC(C)=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066102	0	41	-1.0	-47.89	337.46	3.01	-44.88
CC(C)C#CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066103	0	39	-1.0	-52.40	335.76	3.10	-49.30
CC(CN(C)C(=O)C#CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066104	0	37	-1.0	-50.19	325.79	3.15	-47.04
CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066105	0	34	-1.0	-48.28	287.17	0.94	-47.34
COCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066106	0	38	-1.0	-48.53	320.84	0.02	-48.51
CC(CN(C)C(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066107	0	35	-1.0	-50.36	295.97	1.79	-48.57
CC(CN(C)C(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066108	0	38	-1.0	-48.18	312.33	2.14	-46.04
CC(CN(C)C(=O)C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066109	0	41	-1.0	-50.90	326.15	2.75	-48.15
C=CCCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066110	0	41	-1.0	-48.46	342.98	3.05	-45.41
CCC(C)(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066111	0	43	-1.0	-49.31	331.40	2.20	-47.11
CC(CN(C)C(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005066112	0	32	-1.0	-47.33	278.47	-3.52	-50.85
CC(CN(C)C(=O)CC1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066113	0	41	-1.0	-47.99	338.21	3.16	-44.83
CCC1(C(=O)N(C)CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066114	0	41	-1.0	-51.47	334.10	2.84	-48.63
CC(CN(C)C(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066115	0	40	-1.0	-50.86	314.33	1.79	-49.07
C=C(C)CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066116	0	41	-1.0	-48.38	343.09	2.93	-45.45
CC(CN(C)C(=O)C1(CF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066117	0	38	-1.0	-50.87	317.55	2.23	-48.64
CC(C)C(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066118	0	43	-1.0	-48.31	338.19	2.59	-45.72
CC[C@@H]1C[C@H]1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066119	0	41	-1.0	-50.58	338.02	3.23	-47.35
CC(CN(C)C(=O)C1CC12CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005066120	0	39	-1.0	-51.10	327.69	3.26	-47.84
CC(CN(C)C(=O)[C@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066121	0	39	-1.0	-55.13	317.82	1.38	-53.75
CC(CN(C)C(=O)CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066122	0	41	-1.0	-47.28	336.91	2.99	-44.29
CC(CN(C)C(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066123	0	38	-1.0	-49.00	314.94	1.98	-47.02
CC(CN(C)C(=O)C1=CNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066124	0	36	-1.0	-54.17	303.81	0.74	-53.43
CC(CN(C)C(=O)C1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066125	0	34	-1.0	-50.44	298.30	-1.96	-52.40
C=CC(C)(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066126	0	41	-1.0	-49.81	325.03	2.08	-47.73
CC(CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066127	0	38	-1.0	-50.53	317.08	2.46	-48.07
CC(CN(C)C(=O)C1(C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066128	0	41	-1.0	-51.93	323.20	2.48	-49.45
CCC(F)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066129	0	37	-1.0	-53.43	312.33	1.82	-51.61
CC(CN(C)C(=O)CCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005066130	0	37	-1.0	-50.19	315.26	1.85	-48.34
CC(CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066131	0	38	-1.0	-50.94	316.36	2.46	-48.48
CC(CN(C)C(=O)C1=NNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066132	0	34	-1.0	-48.67	296.79	-1.46	-50.13
CC(CN(C)C(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005066133	0	32	-1.0	-52.75	277.64	-1.95	-54.70
CC(CN(C)C(=O)C=CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005066134	0	36	-1.0	-51.10	314.67	-2.32	-53.42
COC(=O)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066135	0	37	-1.0	-55.09	319.12	1.89	-53.20
CSC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066136	0	36	-1.0	-48.96	320.28	1.96	-47.00
CC(CN(C)C(=O)CCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005066137	0	38	-1.0	-51.53	324.85	-2.23	-53.76
CC(CN(C)C(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066138	0	36	-1.0	-51.88	301.10	0.46	-51.42
CC(CN(C)C(=O)C1=CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066139	0	37	-1.0	-50.60	310.31	1.22	-49.38
CC(CN(C)C(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066140	0	36	-1.0	-48.60	303.22	-0.60	-49.20
CC(CN(C)C(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005066141	0	36	-1.0	-52.96	309.38	-1.71	-54.67
CC=CC(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066142	0	39	-1.0	-50.64	326.34	0.04	-50.60
CC(CN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066143	0	43	0.0	-55.43	333.99	2.01	-53.42
CC(CN(C)C(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066143	1	42	-1.0	-48.60	334.63	-0.40	-49.00
CCC=C(F)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066144	0	38	-1.0	-47.22	321.76	2.41	-44.81
CCC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066145	0	38	-1.0	-48.69	321.00	2.31	-46.38
CC(CN(C)C(=O)CCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005066146	0	36	-1.0	-47.95	317.31	-2.44	-50.39
C#CCOCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066147	0	37	-1.0	-54.07	327.53	1.82	-52.25
CC(O)CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066148	0	41	-1.0	-48.44	340.48	-0.80	-49.24
C#CCCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066149	0	36	-1.0	-48.62	314.45	2.23	-46.39
CC=CC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066150	0	39	-1.0	-48.90	335.08	2.97	-45.93
COCC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066151	0	39	-1.0	-51.74	331.63	0.69	-51.05
CCC(C)(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066152	0	41	-1.0	-48.68	327.51	-0.63	-49.31
C#CCC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066153	0	39	-1.0	-50.75	325.77	2.60	-48.15
C=CC(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066154	0	36	-1.0	-50.38	304.63	-0.78	-51.16
CC(CN(C)C(=O)C12CC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005066155	0	39	-1.0	-48.44	321.62	2.78	-45.66
C=C[C@H](C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066156	0	41	-1.0	-51.01	336.27	2.95	-48.06
CC(CN(C)C(=O)C=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066157	0	39	-1.0	-48.11	330.61	3.13	-44.98
CCC(C#N)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066158	0	38	-1.0	-59.50	324.61	1.87	-57.63
CC(CN(C)C(=O)C1C2CCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005066159	0	39	-1.0	-50.13	318.39	3.11	-47.02
C=C1CCC1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066160	0	39	-1.0	-47.57	321.55	2.55	-45.02
CC(CN(C)C(=O)C1[C@H](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066161	0	41	-1.0	-51.76	332.85	3.01	-48.75
CC[N@H+](C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066162	0	43	0.0	-61.98	339.20	2.31	-59.67
CC[N@@H+](C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066162	1	43	0.0	-61.82	339.21	2.30	-59.52
CCN(C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066162	1	42	-1.0	-48.85	338.64	0.02	-48.83
CC(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066163	0	35	-1.0	-52.39	291.22	-1.38	-53.77
CC(=O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066164	0	33	-1.0	-47.70	287.86	0.12	-47.58
CC(CN(C)C(=O)CCCC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005066165	0	38	-1.0	-54.79	329.52	2.23	-52.56
CC(CN(C)C(=O)C1(C#N)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066166	0	36	-1.0	-45.61	311.29	1.65	-43.96
C=C1CC(C(=O)N(C)CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005066167	0	39	-1.0	-50.49	324.18	2.79	-47.70
CC(CN(C)C(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066168	0	35	-1.0	-50.99	301.90	1.76	-49.23
COC(C)(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066169	0	41	-1.0	-52.87	323.28	1.02	-51.85
CC(CN(C)C(=O)C(C)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005066170	0	38	-1.0	-50.58	319.34	1.79	-48.79
CCC1CC1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066171	0	41	-1.0	-50.72	338.76	3.23	-47.49
C=CC(C)(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066172	0	39	-1.0	-47.21	319.19	-0.64	-47.85
CCCC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066173	0	41	-1.0	-48.59	342.50	3.09	-45.50
CC=C(F)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066174	0	35	-1.0	-47.35	301.46	1.67	-45.68
CC(CN(C)C(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066175	0	43	0.0	-59.23	337.77	2.02	-57.21
CC(CN(C)C(=O)[C@@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066175	1	42	-1.0	-47.19	327.61	-0.67	-47.86
CCOC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066176	0	39	-1.0	-48.92	331.30	1.27	-47.65
CC(=O)OCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066177	0	37	-1.0	-52.46	323.22	1.92	-50.54
CC(=O)C=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066178	0	37	-1.0	-49.65	321.67	1.54	-48.11
CC(CN(C)C(=O)COC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066179	0	39	-1.0	-55.41	330.21	2.09	-53.32
CC(CN(C)C(=O)C1=NC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066180	0	35	-1.0	-50.51	302.28	0.47	-50.04
CC(CN(C)C(=O)C(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005066181	0	38	-1.0	-50.37	310.75	-1.86	-52.23
CC(CN(C)C(=O)C1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066182	0	34	-1.0	-51.02	293.51	0.42	-50.60
CC(CN(C)C(=O)CCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005066183	0	41	-1.0	-49.73	341.59	-0.84	-50.57
CC(CN(C)C(=O)C(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066184	0	37	-1.0	-47.40	316.53	1.86	-45.54
CC(CN(C)C(=O)CC1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066185	0	39	-1.0	-50.58	327.39	-1.01	-51.59
CC(CN(C)C(=O)C1CCC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005066186	0	38	-1.0	-54.05	314.99	2.35	-51.70
CC(CN(C)C(=O)[C@@H]1C[C@H]1CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005066187	0	38	-1.0	-55.22	323.72	2.59	-52.63
CCC(CO)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066188	0	41	-1.0	-51.85	327.51	-1.16	-53.01
CC(CN(C)C(=O)[C@@H]1C[C@@H]1C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005066189	0	36	-1.0	-60.82	312.94	2.09	-58.73
CC(CN(C)C(=O)C1=COCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066190	0	37	-1.0	-48.24	306.34	0.47	-47.77
CC(CN(C)C(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066191	0	36	-1.0	-48.14	307.22	-1.54	-49.68
CC(CN(C)C(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066192	0	36	-1.0	-49.71	303.60	2.08	-47.63
CC(CN(C)C(=O)C(C)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005066193	0	37	-1.0	-49.25	305.96	1.55	-47.70
CC=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066194	0	35	-1.0	-48.74	299.91	1.55	-47.19
CC(CN(C)C(=O)C1(C)CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005066195	0	38	-1.0	-50.71	318.37	2.13	-48.58
CC(CN(C)C(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005066196	0	35	-1.0	-50.83	306.10	1.66	-49.17
CC(CN(C)C(=O)C1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066197	0	39	-1.0	-54.85	325.46	-1.19	-56.04
CC(CN(C)C(=O)C1=CC=NO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066198	0	34	-1.0	-48.87	298.05	0.56	-48.31
CC(CN(C)C(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005066200	0	35	-1.0	-47.75	292.56	-1.38	-49.13
CON=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066201	0	35	-1.0	-51.68	308.82	-0.52	-52.20
CC(C)[C@H](O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066202	0	41	-1.0	-47.47	329.18	0.14	-47.33
C#CC1(C(=O)N(C)CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066203	0	37	-1.0	-48.05	318.46	2.43	-45.62
C=CC=CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066204	0	39	-1.0	-49.25	335.33	2.91	-46.34
C#C[C@H]1C[C@H]1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066205	0	37	-1.0	-53.00	318.84	2.96	-50.04
CC=C(CC)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066206	0	41	-1.0	-51.34	339.58	2.94	-48.40
COC(F)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066207	0	35	-1.0	-55.75	303.18	-0.16	-55.91
CC(CN(C)C(=O)[C@@H]1C[C@H]1C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005066208	0	36	-1.0	-51.51	316.64	2.10	-49.41
CC(CN(C)C(=O)[C@H]1C[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066209	0	39	-1.0	-56.28	322.13	-1.16	-57.44
CC(CN(C)C(=O)C(C)(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005066210	0	41	-1.0	-49.46	326.20	-1.54	-51.00
C=CCC(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066211	0	41	-1.0	-49.86	332.79	2.66	-47.20
CC(CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066212	0	38	-1.0	-50.53	317.08	2.46	-48.07
CC(CN(C)C(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005066213	0	38	-1.0	-46.23	312.33	-1.44	-47.67
CC(CN(C)C(=O)C1=NOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066214	0	36	-1.0	-48.02	307.04	0.20	-47.82
CC(C#N)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066215	0	38	-1.0	-48.96	324.71	1.98	-46.98
CC(CN(C)C(=O)C(C)CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005066216	0	41	-1.0	-54.61	329.71	-1.29	-55.90
CC(CN(C)C(=O)[C@H](O)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005066217	0	35	-1.0	-47.42	300.12	-1.22	-48.64
CC(CN(C)C(=O)C1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066218	0	39	-1.0	-50.42	316.00	-0.59	-51.01
CC(CN(C)C(=O)C(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066219	0	39	-1.0	-52.16	320.65	0.39	-51.77
C=C(C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066220	0	38	-1.0	-48.23	321.69	2.14	-46.09
CC(CN(C)C(=O)C(C)(C)C#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005066221	0	38	-1.0	-54.71	315.67	1.21	-53.50
CC(C)=C(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066222	0	41	-1.0	-51.40	336.92	2.80	-48.60
CNC(=O)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066223	0	38	-1.0	-58.43	323.26	-0.03	-58.46
CC(CN(C)C(=O)C1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066224	0	38	-1.0	-47.58	317.47	2.36	-45.22
C=CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066225	0	35	-1.0	-48.77	300.08	1.48	-47.29
CC(CN(C)C(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066226	0	40	0.0	-63.36	322.75	1.62	-61.74
CC(CN(C)C(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066226	1	39	-1.0	-48.78	320.67	-0.77	-49.55
CC(CN(C)C(=O)CC#N)NC(=O)C1=CC(=O)[N-]O1	REAL250005066227	0	32	-1.0	-55.44	286.63	0.62	-54.82
CC(CN(C)C(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005066228	0	35	-1.0	-55.91	302.03	1.86	-54.05
CC(CN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066229	0	43	0.0	-55.43	333.99	2.01	-53.42
CC(CN(C)C(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066229	1	42	-1.0	-48.60	334.63	-0.40	-49.00
CC(CN(C)C(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005066230	0	34	-1.0	-47.72	293.76	1.08	-46.64
CC(CN(C)C(=O)C1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066231	0	39	-1.0	-47.75	316.76	2.51	-45.24
C#CC(C)(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066232	0	39	-1.0	-51.89	322.10	2.10	-49.79
CO[C@H](C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066233	0	38	-1.0	-55.22	312.66	0.82	-54.40
CC(=O)CCC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066234	0	39	-1.0	-49.85	331.76	1.61	-48.24
CC(CN(C)C(=O)[C@@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005066235	0	35	-1.0	-49.88	290.95	-1.38	-51.26
CC(CN(C)C(=O)CN1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066236	0	40	-1.0	-48.56	327.25	-1.16	-49.72
CC(CN(C)C(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066236	1	41	0.0	-62.14	331.57	2.05	-60.09
CC(O)C(C)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066237	0	41	-1.0	-52.30	326.10	0.12	-52.18
C=C1CC1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066238	0	36	-1.0	-50.36	309.27	2.36	-48.00
CC(CN(C)C(=O)C1(C)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066239	0	39	-1.0	-50.51	317.19	-0.14	-50.65
CC(CN(C)C(=O)C1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066240	0	36	-1.0	-54.73	309.83	-2.70	-57.43
CC(CN(C)C(=O)[C@@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066241	0	36	-1.0	-55.05	309.15	-2.81	-57.86
CCC[C@H](O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066242	0	41	-1.0	-47.65	335.22	0.19	-47.46
CC(CN(C)C(=O)C1(F)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066243	0	38	-1.0	-46.53	315.61	2.26	-44.27
CC(CN(C)C(=O)C1=CNC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066244	0	35	-1.0	-53.21	300.40	1.52	-51.69
CC(CN(C)C(=O)C1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066244	1	35	-1.0	-53.06	299.00	1.07	-51.99
CC(CN(C)C(=O)C1CC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066245	0	37	-1.0	-52.21	313.21	1.35	-50.86
CC(CN(C)C(=O)C1(O)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066246	0	37	-1.0	-47.66	311.56	-3.55	-51.21
CC(C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005066247	0	39	-1.0	-52.48	332.50	3.15	-49.33
CC1=CC1C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066248	0	36	-1.0	-49.20	310.64	2.40	-46.80
CC(CN(C)C(=O)C(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066249	0	38	-1.0	-47.47	315.88	-0.02	-47.49
CCCC(O)C(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066250	0	41	-1.0	-49.94	334.28	0.25	-49.69
CCC(O)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066251	0	41	-1.0	-50.58	339.34	0.08	-50.50
CC(CN(C)C(=O)[C@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066252	0	36	-1.0	-61.70	308.82	-2.71	-64.41
COC1(C(=O)N(C)CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066253	0	39	-1.0	-47.41	327.53	0.77	-46.64
CC(CN(C)C(=O)C1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005066254	0	36	-1.0	-47.85	310.33	1.78	-46.07
C=CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005066255	0	32	-1.0	-49.51	276.55	0.77	-48.74
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N1	REAL250005066256	0	36	-1.0	-49.49	307.16	-2.61	-52.10
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(F)C1	REAL250005066257	0	38	-1.0	-45.47	315.66	2.31	-43.16
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NO1	REAL250005066258	0	34	-1.0	-51.36	298.94	0.53	-50.83
CCC(=O)NC1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005066259	0	41	-1.0	-46.91	332.40	1.31	-45.60
CC(=O)NC1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005066260	0	38	-1.0	-47.17	311.80	0.51	-46.66
O=C(CO)NC1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005066261	0	39	-1.0	-51.03	318.76	-1.25	-52.28
CCC(=O)NCC1CCCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005066262	0	41	-1.0	-53.20	328.30	1.67	-51.53
CC(=O)NCC1CCCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005066263	0	38	-1.0	-52.82	312.09	0.51	-52.31
O=C(CO)NCC1CCCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005066264	0	39	-1.0	-58.41	318.77	-1.25	-59.66
C=CC(=O)NCC1CCCCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005066265	0	39	-1.0	-53.17	320.15	1.39	-51.78
CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066266	0	34	-1.0	-49.20	292.49	0.53	-48.67
COCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066267	0	38	-1.0	-48.72	326.16	-0.40	-49.12
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005066268	0	35	-1.0	-49.20	302.66	1.24	-47.96
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1	REAL250005066269	0	38	-1.0	-49.10	317.38	1.72	-47.38
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC1	REAL250005066270	0	41	-1.0	-49.35	334.23	2.29	-47.06
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005066271	0	38	-1.0	-49.40	323.15	2.06	-47.34
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)F	REAL250005066272	0	37	-1.0	-47.71	311.86	0.93	-46.78
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(F)F	REAL250005066273	0	34	-1.0	-45.71	301.95	0.61	-45.10
COCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066274	0	35	-1.0	-52.60	305.21	-0.08	-52.68
CCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066275	0	37	-1.0	-49.10	313.99	1.30	-47.80
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CO1	REAL250005066276	0	35	-1.0	-50.08	309.11	0.90	-49.18
CC(=O)NCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066277	0	38	-1.0	-50.36	331.15	-1.83	-52.19
CC(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066278	0	40	-1.0	-48.56	330.72	1.89	-46.67
CC1CC1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066279	0	38	-1.0	-49.19	323.57	1.92	-47.27
CCOCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066280	0	38	-1.0	-52.66	327.07	0.88	-51.78
CC(C)=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066281	0	38	-1.0	-48.40	321.10	1.80	-46.60
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCO1	REAL250005066282	0	39	-1.0	-53.29	324.84	0.94	-52.35
CSCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066283	0	35	-1.0	-51.78	315.55	0.98	-50.80
CC(C)CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066284	0	43	-1.0	-49.08	353.06	2.59	-46.49
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN1	REAL250005066285	0	36	-1.0	-52.55	310.10	0.87	-51.68
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=C1	REAL250005066286	0	35	-1.0	-53.47	306.49	0.54	-52.93
CCCCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066287	0	43	-1.0	-49.09	356.99	2.86	-46.23
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)C	REAL250005066288	0	43	-1.0	-47.66	345.68	2.42	-45.24
CCCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066289	0	40	-1.0	-49.17	335.49	2.08	-47.09
CC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066290	0	37	-1.0	-48.93	308.67	0.96	-47.97
CCC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066291	0	40	-1.0	-49.16	325.25	1.54	-47.62
CCC(CC)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066292	0	43	-1.0	-49.20	340.85	2.00	-47.20
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC=C1	REAL250005066293	0	35	-1.0	-51.92	307.69	-0.45	-52.37
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1	REAL250005066293	1	35	-1.0	-50.36	305.39	-0.60	-50.96
CCOC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066294	0	41	-1.0	-52.63	343.26	1.36	-51.27
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNN=C1	REAL250005066295	0	35	-1.0	-51.11	305.01	-1.13	-52.24
COCCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066296	0	41	-1.0	-51.86	347.66	0.37	-51.49
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOC=C1	REAL250005066297	0	34	-1.0	-50.03	304.45	0.34	-49.69
CCC=C(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066298	0	41	-1.0	-49.93	334.71	2.12	-47.81
COC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066299	0	38	-1.0	-52.63	319.89	0.38	-52.25
CC(C)OCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066300	0	41	-1.0	-52.63	347.34	1.62	-51.01
CCCOCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066301	0	41	-1.0	-52.44	348.57	1.68	-50.76
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCOC1	REAL250005066302	0	39	-1.0	-50.53	323.07	-0.30	-50.83
CCC(OC)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066303	0	41	-1.0	-51.56	341.04	1.17	-50.39
COC(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066304	0	41	-1.0	-50.44	345.30	1.12	-49.32
C=CCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066305	0	38	-1.0	-48.88	326.80	1.86	-47.02
CCOCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066306	0	41	-1.0	-48.66	348.02	0.57	-48.09
COCC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066307	0	41	-1.0	-48.68	339.96	0.01	-48.67
C=CCOCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066308	0	39	-1.0	-52.92	339.97	1.45	-51.47
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC=N1	REAL250005066309	0	34	-1.0	-49.90	304.57	-1.70	-51.60
CCCC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066310	0	43	-1.0	-49.23	346.75	2.30	-46.93
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CC1	REAL250005066311	0	41	-1.0	-49.15	345.33	2.85	-46.30
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC=CC1	REAL250005066312	0	39	-1.0	-49.11	328.08	2.25	-46.86
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCC1	REAL250005066313	0	41	-1.0	-49.26	340.40	2.59	-46.67
CC(C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066314	0	41	-1.0	-49.41	337.93	2.41	-47.00
CC=C(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066315	0	38	-1.0	-49.56	321.48	1.48	-48.08
CC1CC(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005066316	0	41	-1.0	-48.87	337.56	2.33	-46.54
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CCC1	REAL250005066317	0	39	-1.0	-49.51	330.56	2.49	-47.02
CC(C)=C(F)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066318	0	38	-1.0	-49.57	332.29	1.91	-47.66
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCC1	REAL250005066319	0	39	-1.0	-49.78	323.59	2.05	-47.73
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1(C)C	REAL250005066320	0	41	-1.0	-48.44	338.81	2.48	-45.96
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC1(C)C	REAL250005066321	0	41	-1.0	-48.35	338.55	2.47	-45.88
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCCO1	REAL250005066322	0	39	-1.0	-53.44	325.21	0.90	-52.54
CCC(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066323	0	43	-1.0	-48.57	348.95	2.56	-46.01
C#CCCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066324	0	39	-1.0	-51.92	341.27	2.60	-49.32
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC(C)(C)O	REAL250005066325	0	41	-1.0	-51.83	339.48	-0.40	-52.23
CC(C)[C@@H](O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066326	0	41	-1.0	-49.28	333.24	-0.27	-49.55
CCC(C)=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066327	0	41	-1.0	-47.97	342.77	2.57	-45.40
CC(C)C#CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066328	0	39	-1.0	-50.02	342.72	2.56	-47.46
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C#CC1CC1	REAL250005066329	0	37	-1.0	-50.32	332.39	2.73	-47.59
C=C(C)CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066330	0	41	-1.0	-48.62	348.15	2.52	-46.10
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1	REAL250005066331	0	38	-1.0	-49.41	319.83	1.56	-47.85
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCO1	REAL250005066332	0	39	-1.0	-53.49	325.00	0.94	-52.55
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNN=C1	REAL250005066333	0	34	-1.0	-48.59	303.24	-1.88	-50.47
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(C)CC1	REAL250005066334	0	41	-1.0	-48.82	343.43	2.56	-46.26
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CO1	REAL250005066335	0	34	-1.0	-50.84	304.73	-2.39	-53.23
C=CC(C)(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066336	0	41	-1.0	-49.45	330.28	1.60	-47.85
C[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066337	0	38	-1.0	-49.15	324.30	1.94	-47.21
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CCC1	REAL250005066338	0	41	-1.0	-49.49	331.05	1.93	-47.56
CCC(F)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066339	0	37	-1.0	-50.09	319.29	1.30	-48.79
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCF	REAL250005066340	0	37	-1.0	-51.85	320.58	1.44	-50.41
C[C@H]1C[C@@H]1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066341	0	38	-1.0	-49.20	323.58	1.93	-47.27
C=CCCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066342	0	41	-1.0	-49.48	348.30	2.64	-46.84
CCC(C)(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066343	0	43	-1.0	-49.44	336.81	1.75	-47.69
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005066344	0	32	-1.0	-46.98	285.83	-4.11	-51.09
CC1CC1CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066345	0	41	-1.0	-49.43	344.81	2.75	-46.68
CCC1(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066346	0	41	-1.0	-49.49	341.84	2.30	-47.19
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CF)CC1	REAL250005066347	0	38	-1.0	-53.23	327.93	1.75	-51.48
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C	REAL250005066348	0	40	-1.0	-49.22	321.53	1.21	-48.01
CC(C)C(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066349	0	43	-1.0	-48.65	344.00	2.16	-46.49
CC[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066350	0	41	-1.0	-49.22	345.45	2.67	-46.55
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC12CC2	REAL250005066351	0	39	-1.0	-49.59	334.65	2.73	-46.86
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CC(=O)N1	REAL250005066352	0	36	-1.0	-57.09	315.51	-3.23	-60.32
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC(=O)N1	REAL250005066353	0	36	-1.0	-56.63	316.99	-2.84	-59.47
COC1(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066354	0	39	-1.0	-47.19	332.21	0.37	-46.82
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CSC1	REAL250005066355	0	36	-1.0	-49.02	316.93	1.36	-47.66
C=CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066356	0	35	-1.0	-49.27	305.40	1.07	-48.20
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005066357	0	40	0.0	-70.64	328.08	1.21	-69.43
CN(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066357	1	39	-1.0	-49.47	325.99	-1.18	-50.65
C=CC(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066358	0	36	-1.0	-49.87	309.03	-1.09	-50.96
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1COC1	REAL250005066359	0	36	-1.0	-49.60	308.27	-1.03	-50.63
CO[C@H](C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066360	0	38	-1.0	-52.63	319.89	0.38	-52.25
CC=CC(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066361	0	39	-1.0	-49.68	330.73	-0.23	-49.91
C[C@@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005066362	0	43	0.0	-68.38	343.40	1.53	-66.85
C[C@@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005066362	1	42	-1.0	-49.50	334.38	-0.99	-50.49
CCC=C(F)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066363	0	38	-1.0	-46.35	329.12	1.85	-44.50
CCC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066364	0	38	-1.0	-49.24	326.33	1.89	-47.35
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)CO	REAL250005066366	0	41	-1.0	-49.15	331.45	-2.02	-51.17
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CCC1	REAL250005066367	0	38	-1.0	-46.85	322.56	1.74	-45.11
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005066368	0	32	-1.0	-54.21	282.96	-2.36	-56.57
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC(N)=O	REAL250005066369	0	36	-1.0	-51.00	321.64	-2.85	-53.85
CC(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066370	0	35	-1.0	-53.85	299.63	-1.84	-55.69
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CCC1	REAL250005066371	0	39	-1.0	-47.32	327.30	-1.32	-48.64
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(O)C1CC1	REAL250005066372	0	39	-1.0	-49.29	327.87	-0.07	-49.36
C=CCC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066373	0	41	-1.0	-48.86	339.75	2.13	-46.73
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1F	REAL250005066374	0	35	-1.0	-47.45	309.73	1.35	-46.10
C[C@@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005066375	0	43	0.0	-68.38	343.40	1.53	-66.85
C[C@@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005066375	1	42	-1.0	-49.50	334.38	-0.99	-50.49
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005066376	0	34	-1.0	-48.22	299.08	0.67	-47.55
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)COC1	REAL250005066377	0	37	-1.0	-50.68	314.44	-3.38	-54.06
CC(C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005066378	0	39	-1.0	-49.55	339.66	2.60	-46.95
CCC1CC1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066379	0	41	-1.0	-49.17	345.72	2.70	-46.47
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC1	REAL250005066380	0	39	-1.0	-53.21	333.92	-1.46	-54.67
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005066381	0	35	-1.0	-51.26	311.43	1.24	-50.02
C#CCCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066382	0	36	-1.0	-49.08	319.77	1.82	-47.26
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC1	REAL250005066383	0	40	-1.0	-50.95	333.59	-1.60	-52.55
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005066383	1	41	0.0	-70.62	337.91	1.61	-69.01
C#C[C@H]1C[C@H]1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066384	0	37	-1.0	-52.02	325.52	2.41	-49.61
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C2CCC21	REAL250005066385	0	39	-1.0	-49.01	325.63	2.59	-46.42
C=C1CCC1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066386	0	39	-1.0	-48.65	328.24	2.11	-46.54
C[C@H]1C(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005066387	0	41	-1.0	-49.15	342.24	2.53	-46.62
C[C@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005066388	0	43	0.0	-68.43	344.36	1.62	-66.81
C[C@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005066388	1	42	-1.0	-49.56	332.77	-1.10	-50.66
CC=CC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066389	0	39	-1.0	-49.36	340.40	2.56	-46.80
COCC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066390	0	39	-1.0	-51.37	338.60	0.16	-51.21
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)COC1	REAL250005066391	0	39	-1.0	-49.41	324.41	-0.69	-50.10
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCO1	REAL250005066392	0	36	-1.0	-54.28	307.71	0.04	-54.24
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCN=[N+]=[N-]	REAL250005066393	0	36	-1.0	-48.05	322.63	-2.85	-50.90
C#CCOCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066394	0	37	-1.0	-55.44	332.85	1.41	-54.03
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)O	REAL250005066395	0	38	-1.0	-47.38	317.65	-1.86	-49.24
CC1=CC1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066396	0	36	-1.0	-49.84	317.29	1.96	-47.88
CN(C)C(=O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066397	0	38	-1.0	-46.95	323.24	-0.60	-47.55
CSC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066398	0	36	-1.0	-48.62	327.25	1.44	-47.18
CCC(C)(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066399	0	41	-1.0	-47.21	333.05	-1.29	-48.50
CC[N@H+](C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066400	0	43	0.0	-69.94	345.81	1.88	-68.06
CC[N@@H+](C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066400	1	43	0.0	-69.90	345.54	1.87	-68.03
CCN(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066400	1	42	-1.0	-49.38	343.96	-0.39	-49.77
C=C1CC(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005066401	0	39	-1.0	-48.72	331.14	2.25	-46.47
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC1F	REAL250005066402	0	38	-1.0	-53.28	322.13	1.84	-51.44
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC=N1	REAL250005066403	0	35	-1.0	-52.03	307.62	0.96	-51.07
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=CN1	REAL250005066403	1	35	-1.0	-54.01	305.42	0.63	-53.38
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCCO1	REAL250005066404	0	37	-1.0	-48.21	317.76	0.68	-47.53
CCC[C@H](O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066405	0	41	-1.0	-49.49	341.90	-0.19	-49.68
CC(C)[C@H](O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066406	0	41	-1.0	-49.02	335.84	-0.28	-49.30
CCOC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066407	0	39	-1.0	-48.59	338.27	0.74	-47.85
C[C@@H](O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066408	0	35	-1.0	-50.38	298.18	-1.83	-52.21
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005066409	0	36	-1.0	-52.79	316.35	-2.24	-55.03
COC(C)(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066410	0	41	-1.0	-53.28	328.78	0.56	-52.72
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCCCO	REAL250005066411	0	41	-1.0	-50.23	346.91	-1.26	-51.49
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(CO)CC1	REAL250005066412	0	39	-1.0	-53.77	332.70	-1.74	-55.51
COC(F)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066413	0	35	-1.0	-52.90	310.20	-0.66	-53.56
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C12CC1CC2	REAL250005066414	0	39	-1.0	-49.58	325.02	2.20	-47.38
C=C[C@H](C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066415	0	41	-1.0	-48.51	343.23	2.41	-46.10
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1CC1	REAL250005066416	0	39	-1.0	-49.25	336.95	2.68	-46.57
CC=C(CC)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066417	0	41	-1.0	-49.23	347.09	2.37	-46.86
C=CC(C)(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066418	0	39	-1.0	-47.52	326.49	-1.19	-48.71
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005066419	0	36	-1.0	-50.53	308.64	1.65	-48.88
CON=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066420	0	35	-1.0	-52.02	314.14	-0.93	-52.95
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC1	REAL250005066421	0	35	-1.0	-46.96	306.59	1.22	-45.74
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOCC1	REAL250005066422	0	36	-1.0	-47.42	314.39	-0.38	-47.80
C#CC(C)(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066423	0	39	-1.0	-52.13	327.42	1.64	-50.49
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC1	REAL250005066424	0	39	-1.0	-53.66	337.16	1.65	-52.01
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC=CN1	REAL250005066425	0	35	-1.0	-49.69	307.90	0.12	-49.57
CCCC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066426	0	41	-1.0	-49.03	347.83	2.66	-46.37
CC=C(F)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066427	0	35	-1.0	-46.54	308.82	1.12	-45.42
CCC(CO)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066428	0	41	-1.0	-49.22	336.56	-1.23	-50.45
CC(CO)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066429	0	38	-1.0	-49.07	317.71	-2.39	-51.46
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CON=C1	REAL250005066430	0	34	-1.0	-49.18	293.84	-0.45	-49.63
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1C[C@H]1CF	REAL250005066431	0	38	-1.0	-51.03	330.96	2.07	-48.96
C#CC1(C(=O)N(C)CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066432	0	37	-1.0	-48.52	323.50	2.01	-46.51
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=COCC1	REAL250005066433	0	37	-1.0	-50.14	312.69	0.06	-50.08
C[C@H](O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066434	0	35	-1.0	-53.97	300.21	-1.81	-55.78
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1C=CCC1	REAL250005066435	0	39	-1.0	-48.80	323.37	2.09	-46.71
CC(O)C(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066436	0	41	-1.0	-51.19	334.39	-0.40	-51.59
C=C1CC1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066437	0	36	-1.0	-49.32	315.78	1.84	-47.48
CC(CF)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066438	0	37	-1.0	-47.99	312.92	1.02	-46.97
C=C(C)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066439	0	38	-1.0	-49.01	327.05	1.74	-47.27
CC(C)=C(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066440	0	41	-1.0	-49.47	344.26	2.31	-47.16
CCCC(O)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066441	0	41	-1.0	-49.74	340.38	-0.26	-50.00
CCC(O)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066442	0	41	-1.0	-52.52	344.66	-0.33	-52.85
CC=CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066443	0	35	-1.0	-49.41	305.24	1.12	-48.29
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC1F	REAL250005066444	0	38	-1.0	-47.90	327.15	1.64	-46.26
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@@H](O)C1	REAL250005066445	0	39	-1.0	-53.03	328.96	-1.68	-54.71
C[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066446	0	38	-1.0	-49.15	324.30	1.94	-47.21
CNC(=O)CC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066447	0	38	-1.0	-61.18	328.58	-0.44	-61.62
C=CC=CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066448	0	39	-1.0	-49.77	340.65	2.50	-47.27
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CCC(N)=O	REAL250005066449	0	38	-1.0	-50.42	330.17	-2.64	-53.06
CC(O)CCC(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066450	0	41	-1.0	-48.93	345.80	-1.21	-50.14
C#CCC(C)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066451	0	39	-1.0	-48.99	332.72	2.08	-46.91
CC(CCO)C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005066452	0	41	-1.0	-53.07	336.67	-1.82	-54.89
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](O)CF	REAL250005066453	0	35	-1.0	-50.52	304.42	-1.70	-52.22
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1(O)CC1	REAL250005066454	0	36	-1.0	-47.81	313.61	-1.99	-49.80
CN(CCCNC(=O)CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066455	0	38	-1.0	-48.95	320.69	1.97	-46.98
CN(CCCNC(=O)C(C)(C)F)C(=O)C1=CC(=O)[N-]O1	REAL250005066456	0	37	-1.0	-48.28	316.57	1.09	-47.19
CN(CCCNC(=O)C(C)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL250005066457	0	34	-1.0	-46.57	301.61	0.63	-45.94
COCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066458	0	35	-1.0	-51.80	302.48	-0.20	-52.00
CCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066459	0	37	-1.0	-48.70	311.25	1.20	-47.50
CN(CCCNC(=O)C1=CC=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005066460	0	35	-1.0	-49.85	309.37	0.75	-49.10
CC(=O)NCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066461	0	38	-1.0	-51.16	328.13	-1.88	-53.04
CC(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066462	0	40	-1.0	-48.23	327.98	1.79	-46.44
CC1CC1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066463	0	38	-1.0	-48.69	321.65	1.88	-46.81
CCOCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066464	0	38	-1.0	-51.80	324.33	0.76	-51.04
CC(C)=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066465	0	38	-1.0	-48.29	319.28	1.74	-46.55
CN(CCCNC(=O)C1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005066466	0	39	-1.0	-52.32	325.51	0.98	-51.34
CSCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066467	0	35	-1.0	-50.85	312.82	0.86	-49.99
CC(C)CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066468	0	43	-1.0	-48.54	350.32	2.49	-46.05
CN(CCCNC(=O)C1=CC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005066469	0	36	-1.0	-51.24	312.26	0.53	-50.71
CN(CCCNC(=O)C1=COC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005066470	0	35	-1.0	-52.09	308.28	0.68	-51.41
CCCCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066471	0	43	-1.0	-48.60	354.25	2.76	-45.84
CN(CCCNC(=O)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005066472	0	43	-1.0	-47.47	342.95	2.31	-45.16
CCCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066473	0	40	-1.0	-48.70	332.75	1.98	-46.72
CC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066474	0	37	-1.0	-48.49	309.31	1.11	-47.38
CCC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066475	0	40	-1.0	-48.42	327.43	1.75	-46.67
CCC(CC)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066476	0	43	-1.0	-48.36	343.44	2.20	-46.16
CN(CCCNC(=O)C1=CC=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005066477	0	35	-1.0	-49.77	306.96	-0.81	-50.58
CCOC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066478	0	41	-1.0	-51.49	344.12	1.46	-50.03
CN(CCCNC(=O)C1=CNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005066479	0	35	-1.0	-51.14	307.25	-0.85	-51.99
COCCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066480	0	41	-1.0	-51.08	344.93	0.27	-50.81
CN(CCCNC(=O)C1=NOC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005066481	0	34	-1.0	-51.11	303.85	0.00	-51.11
CCC=C(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066482	0	41	-1.0	-48.80	338.35	2.47	-46.33
COC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066483	0	38	-1.0	-51.53	321.46	0.56	-50.97
CC(C)OCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066484	0	41	-1.0	-51.56	344.60	1.49	-50.07
CCCOCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066485	0	41	-1.0	-51.56	345.83	1.56	-50.00
CN(CCCNC(=O)C1CCOC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066486	0	39	-1.0	-49.79	323.52	-0.27	-50.06
CCC(OC)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066487	0	41	-1.0	-50.12	342.99	1.32	-48.80
COC(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066488	0	41	-1.0	-49.69	342.57	1.03	-48.66
C=CCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066489	0	38	-1.0	-48.52	324.07	1.76	-46.76
CCOCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066490	0	41	-1.0	-48.66	345.28	0.47	-48.19
COCC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066491	0	41	-1.0	-48.36	342.14	0.22	-48.14
C=CCOCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066492	0	39	-1.0	-51.99	337.24	1.33	-50.66
CN(CCCNC(=O)C1=COC=N1)C(=O)C1=CC(=O)[N-]O1	REAL250005066493	0	34	-1.0	-50.92	304.16	-2.66	-53.58
CC(C#N)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066494	0	35	-1.0	-54.78	308.73	0.73	-54.05
CCCC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066495	0	43	-1.0	-48.37	348.92	2.51	-45.86
CN(CCCNC(=O)CCC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066496	0	41	-1.0	-48.69	342.87	2.77	-45.92
CN(CCCNC(=O)C1CC=CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066497	0	39	-1.0	-48.41	325.29	2.18	-46.23
CN(CCCNC(=O)CC1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066498	0	41	-1.0	-48.72	337.66	2.49	-46.23
CC(C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066499	0	41	-1.0	-48.68	338.61	2.53	-46.15
CC=C(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066500	0	38	-1.0	-49.08	318.07	1.71	-47.37
CC1CC(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005066501	0	41	-1.0	-48.30	336.22	2.30	-46.00
CN(CCCNC(=O)C=C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066502	0	39	-1.0	-49.18	328.66	2.41	-46.77
CC(C)=C(F)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066503	0	38	-1.0	-47.14	324.09	1.78	-45.36
CN(CCCNC(=O)C1=CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066504	0	39	-1.0	-48.90	326.34	2.30	-46.60
CN(CCCNC(=O)C1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005066505	0	41	-1.0	-48.05	336.88	2.43	-45.62
CN(CCCNC(=O)[C@H]1CC1(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005066506	0	41	-1.0	-48.06	336.88	2.41	-45.65
CN(CCCNC(=O)[C@@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005066507	0	39	-1.0	-51.97	325.98	0.95	-51.02
CCC(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066508	0	43	-1.0	-48.19	346.21	2.45	-45.74
C#CCCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066509	0	39	-1.0	-51.24	338.54	2.50	-48.74
CN(CCCNC(=O)CC(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005066510	0	41	-1.0	-47.84	334.14	-0.29	-48.13
CC(C)[C@@H](O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066511	0	41	-1.0	-48.59	335.71	0.20	-48.39
CCC(C)=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066512	0	41	-1.0	-47.88	340.97	2.48	-45.40
CC(C)C#CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066513	0	39	-1.0	-49.75	339.15	2.46	-47.29
CN(CCCNC(=O)C#CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066514	0	37	-1.0	-50.02	328.56	2.61	-47.41
CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066515	0	34	-1.0	-48.90	289.76	0.44	-48.46
COCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066516	0	38	-1.0	-48.73	323.43	-0.49	-49.22
CN(CCCNC(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066517	0	35	-1.0	-48.83	300.27	1.21	-47.62
CN(CCCNC(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066518	0	38	-1.0	-48.58	316.49	1.71	-46.87
CN(CCCNC(=O)C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066519	0	41	-1.0	-48.49	332.79	2.32	-46.17
C=CCCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066520	0	41	-1.0	-48.97	345.56	2.54	-46.43
CCC(C)(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066521	0	43	-1.0	-48.46	342.42	2.17	-46.29
CN(CCCNC(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005066522	0	32	-1.0	-48.98	285.10	-4.24	-53.22
CC1CC1CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066523	0	41	-1.0	-48.91	341.81	2.63	-46.28
CCC1(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066524	0	41	-1.0	-48.81	343.28	2.40	-46.41
CN(CCCNC(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005066525	0	40	-1.0	-48.40	328.19	1.67	-46.73
C=C(C)CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066526	0	41	-1.0	-48.19	345.71	2.43	-45.76
CN(CCCNC(=O)C1(CF)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066527	0	38	-1.0	-51.73	328.06	1.82	-49.91
CC(C)C(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066528	0	43	-1.0	-47.85	343.33	2.31	-45.54
CC[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066529	0	41	-1.0	-48.67	343.66	2.63	-46.04
CN(CCCNC(=O)C1CC12CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005066530	0	39	-1.0	-49.09	332.72	2.67	-46.42
CN(CCCNC(=O)[C@H]1CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005066531	0	39	-1.0	-52.28	326.34	1.00	-51.28
CN(CCCNC(=O)CC1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066532	0	41	-1.0	-48.45	341.67	2.45	-46.00
CN(CCCNC(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066533	0	38	-1.0	-48.67	318.03	1.80	-46.87
CN(CCCNC(=O)C1=CNC=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005066534	0	36	-1.0	-54.15	312.13	0.58	-53.57
CN(CCCNC(=O)C1=CN=CO1)C(=O)C1=CC(=O)[N-]O1	REAL250005066535	0	34	-1.0	-50.41	304.16	-2.55	-52.96
C=CC(C)(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066536	0	41	-1.0	-48.56	336.95	2.07	-46.49
C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066537	0	38	-1.0	-48.82	321.41	1.85	-46.97
CN(CCCNC(=O)C1(C)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066538	0	41	-1.0	-48.68	333.42	2.22	-46.46
CCC(F)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066539	0	37	-1.0	-49.87	317.53	1.24	-48.63
CN(CCCNC(=O)CCCF)C(=O)C1=CC(=O)[N-]O1	REAL250005066540	0	37	-1.0	-51.02	317.84	1.34	-49.68
C[C@H]1C[C@@H]1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066541	0	38	-1.0	-48.75	321.40	1.86	-46.89
CN(CCCNC(=O)C1=NNN=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005066542	0	34	-1.0	-48.90	302.67	-2.23	-51.13
CN(CCCNC(=O)C1=CN=NN1)C(=O)C1=CC(=O)[N-]O1	REAL250005066542	1	34	-1.0	-50.33	301.76	-2.17	-52.50
CN(CCCNC(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005066543	0	32	-1.0	-53.35	280.22	-2.48	-55.83
CN(CCCNC(=O)C=CC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005066544	0	36	-1.0	-51.98	319.72	-2.92	-54.90
COC(=O)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066545	0	37	-1.0	-55.88	321.70	1.41	-54.47
CSC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066546	0	36	-1.0	-48.73	325.38	1.34	-47.39
CN(CCCNC(=O)CCC(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005066547	0	38	-1.0	-51.56	327.44	-2.74	-54.30
CN(CCCNC(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005066548	0	36	-1.0	-52.70	308.39	-0.06	-52.76
CN(CCCNC(=O)C1=CCCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005066549	0	37	-1.0	-48.74	317.85	0.32	-48.42
CN(CCCNC(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066550	0	36	-1.0	-49.27	307.11	-1.06	-50.33
CN(CCCNC(=O)C=CCO)C(=O)C1=CC(=O)[N-]O1	REAL250005066551	0	36	-1.0	-51.87	314.43	-2.32	-54.19
CC=CC(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066552	0	39	-1.0	-48.87	335.47	-0.30	-49.17
C[C@@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005066553	0	43	0.0	-68.51	342.88	1.57	-66.94
C[C@@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005066553	1	42	-1.0	-48.86	336.97	-0.86	-49.72
CCC=C(F)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066554	0	38	-1.0	-47.06	328.60	1.85	-45.21
CCC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066555	0	38	-1.0	-48.81	324.42	1.80	-47.01
CN(CCCNC(=O)CCN=[N+]=[N-])C(=O)C1=CC(=O)[N-]O1	REAL250005066556	0	36	-1.0	-47.98	319.90	-2.95	-50.93
C#CCOCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066557	0	37	-1.0	-54.33	330.12	1.29	-53.04
CC(O)CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066558	0	41	-1.0	-49.77	343.10	-1.30	-51.07
C#CCCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066559	0	36	-1.0	-49.00	317.04	1.72	-47.28
CC=CC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066560	0	39	-1.0	-49.01	338.50	2.49	-46.52
COCC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066561	0	39	-1.0	-50.58	336.69	0.08	-50.50
CCC(C)(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066562	0	41	-1.0	-47.53	336.86	-1.47	-49.00
C#CCC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066563	0	39	-1.0	-48.56	334.90	2.29	-46.27
C=CC(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066564	0	36	-1.0	-49.07	313.76	-1.15	-50.22
CN(CCCNC(=O)C12CC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL250005066565	0	39	-1.0	-49.00	328.47	2.38	-46.62
C=C[C@H](C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066566	0	41	-1.0	-48.01	340.77	2.33	-45.68
CN(CCCNC(=O)C=CC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066567	0	39	-1.0	-48.76	335.31	2.62	-46.14
CCC(C#N)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066568	0	38	-1.0	-49.38	329.36	1.38	-48.00
CN(CCCNC(=O)C1C2CCC21)C(=O)C1=CC(=O)[N-]O1	REAL250005066569	0	39	-1.0	-48.75	322.97	2.53	-46.22
C=C1CCC1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066570	0	39	-1.0	-48.18	329.05	2.16	-46.02
C[C@H]1C(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005066571	0	41	-1.0	-48.66	338.80	2.40	-46.26
CC[N@H+](C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066572	0	43	0.0	-69.53	342.81	1.80	-67.73
CC[N@@H+](C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066572	1	43	0.0	-69.56	342.82	1.80	-67.76
CCN(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066572	1	42	-1.0	-49.00	341.23	-0.44	-49.44
CC(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066573	0	35	-1.0	-49.88	300.56	-1.70	-51.58
CC(=O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066574	0	33	-1.0	-47.73	292.02	-0.43	-48.16
CN(CCCNC(=O)CCCC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005066575	0	38	-1.0	-56.41	332.11	1.72	-54.69
CN(CCCNC(=O)C1(C#N)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066576	0	36	-1.0	-48.89	319.54	1.45	-47.44
C=C1CC(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005066577	0	39	-1.0	-48.24	330.00	2.22	-46.02
CN(CCCNC(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066578	0	35	-1.0	-47.17	306.47	1.26	-45.91
COC(C)(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066579	0	41	-1.0	-51.61	334.21	0.99	-50.62
CC(CC#N)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066580	0	38	-1.0	-50.13	328.48	1.47	-48.66
CCC1CC1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066581	0	41	-1.0	-48.62	343.06	2.64	-45.98
C=CC(C)(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066582	0	39	-1.0	-48.23	330.42	-1.39	-49.62
CCCC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066583	0	41	-1.0	-48.61	345.91	2.58	-46.03
CC=C(F)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066584	0	35	-1.0	-47.29	308.30	1.11	-46.18
C[C@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005066585	0	43	0.0	-67.62	343.76	1.52	-66.10
C[C@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005066585	1	42	-1.0	-49.18	336.11	-0.77	-49.95
CCOC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066586	0	39	-1.0	-49.12	336.40	0.67	-48.45
CC(=O)OCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066587	0	37	-1.0	-52.22	325.83	1.39	-50.83
CC(=O)C=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066588	0	37	-1.0	-50.42	326.71	0.94	-49.48
CN(CCCNC(=O)COC1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066589	0	39	-1.0	-52.48	334.70	1.54	-50.94
CN(CCCNC(=O)C1=NC=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005066590	0	35	-1.0	-51.12	308.20	-0.53	-51.65
CC(CO)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066591	0	38	-1.0	-48.86	319.89	-2.18	-51.04
CN(CCCNC(=O)C1=CON=C1)C(=O)C1=CC(=O)[N-]O1	REAL250005066592	0	34	-1.0	-49.77	303.48	0.13	-49.64
CN(CCCNC(=O)CCCCO)C(=O)C1=CC(=O)[N-]O1	REAL250005066593	0	41	-1.0	-50.18	344.17	-1.35	-51.53
CN(CCCNC(=O)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066594	0	37	-1.0	-47.63	323.09	1.16	-46.47
CN(CCCNC(=O)CC1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066595	0	39	-1.0	-52.07	330.03	-1.54	-53.61
CN(CCCNC(=O)C1CCC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005066596	0	38	-1.0	-50.03	322.88	1.78	-48.25
CN(CCCNC(=O)[C@@H]1C[C@H]1CF)C(=O)C1=CC(=O)[N-]O1	REAL250005066597	0	38	-1.0	-51.19	328.88	2.01	-49.18
CCC(CO)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066598	0	41	-1.0	-48.76	335.79	-1.14	-49.90
CN(CCCNC(=O)[C@@H]1C[C@@H]1C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005066599	0	36	-1.0	-58.21	317.84	1.49	-56.72
CN(CCCNC(=O)C1=COCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066600	0	37	-1.0	-49.33	316.45	0.28	-49.05
CN(CCCNC(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066601	0	36	-1.0	-48.29	308.59	-1.87	-50.16
CN(CCCNC(=O)C1=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066602	0	36	-1.0	-49.62	310.76	1.78	-47.84
CC(CF)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066603	0	37	-1.0	-47.65	315.10	1.23	-46.42
CC=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066604	0	35	-1.0	-49.04	303.33	1.04	-48.00
CN(CCCNC(=O)C1(C)CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005066605	0	38	-1.0	-47.66	324.23	1.89	-45.77
CN(CCCNC(=O)C=CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005066606	0	35	-1.0	-50.47	309.51	1.16	-49.31
CN(CCCNC(=O)C1(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066607	0	39	-1.0	-52.16	332.92	-1.65	-53.81
CN(CCCNC(=O)C1=CC=NO1)C(=O)C1=CC(=O)[N-]O1	REAL250005066608	0	34	-1.0	-48.94	303.60	0.15	-48.79
C[C@H](O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066610	0	35	-1.0	-49.28	300.55	-1.70	-50.98
CON=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066611	0	35	-1.0	-51.41	312.22	-0.99	-52.40
CC(C)[C@H](O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066612	0	41	-1.0	-48.52	336.84	-0.18	-48.70
C#CC1(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066613	0	37	-1.0	-48.70	325.71	2.25	-46.45
C=CC=CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066614	0	39	-1.0	-49.40	337.92	2.40	-47.00
C#C[C@H]1C[C@H]1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066615	0	37	-1.0	-51.37	323.72	2.36	-49.01
CC=C(CC)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066616	0	41	-1.0	-48.86	339.10	2.43	-46.43
COC(F)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066617	0	35	-1.0	-51.81	308.38	-0.72	-52.53
CN(CCCNC(=O)[C@@H]1C[C@H]1C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005066618	0	36	-1.0	-51.35	321.88	1.62	-49.73
CN(CCCNC(=O)[C@H]1C[C@@H](O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005066619	0	39	-1.0	-52.21	327.89	-1.72	-53.93
CN(CCCNC(=O)C(C)(C)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005066620	0	41	-1.0	-48.61	337.54	-1.53	-50.14
C=CCC(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066621	0	41	-1.0	-48.10	341.93	2.35	-45.75
C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066622	0	38	-1.0	-48.82	321.41	1.85	-46.97
CN(CCCNC(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005066623	0	38	-1.0	-48.06	320.24	-2.13	-50.19
CN(CCCNC(=O)C1=NOCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066624	0	36	-1.0	-48.85	313.80	-0.72	-49.57
CC(C#N)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066625	0	38	-1.0	-49.93	327.30	1.47	-48.46
CC(CCO)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066626	0	41	-1.0	-51.79	338.85	-1.61	-53.40
CN(CCCNC(=O)[C@H](O)CF)C(=O)C1=CC(=O)[N-]O1	REAL250005066627	0	35	-1.0	-50.92	306.86	-1.54	-52.46
CN(CCCNC(=O)C1(O)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066628	0	39	-1.0	-48.30	322.78	-1.38	-49.68
CN(CCCNC(=O)C(O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066629	0	39	-1.0	-48.43	328.84	0.08	-48.35
C=C(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066630	0	38	-1.0	-48.83	324.28	1.63	-47.20
CN(CCCNC(=O)C(C)(C)C#N)C(=O)C1=CC(=O)[N-]O1	REAL250005066631	0	38	-1.0	-53.87	327.58	1.24	-52.63
CC(C)=C(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066632	0	41	-1.0	-49.32	340.79	2.07	-47.25
CNC(=O)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066633	0	38	-1.0	-59.46	325.84	-0.52	-59.98
CN(CCCNC(=O)C1CC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005066634	0	38	-1.0	-48.82	322.44	1.77	-47.05
C=CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066635	0	35	-1.0	-48.93	302.67	0.98	-47.95
CN(CCCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005066636	0	40	0.0	-70.23	325.34	1.15	-69.08
CN(C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066636	1	39	-1.0	-49.15	323.26	-1.23	-50.38
CN(CCCNC(=O)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005066637	0	32	-1.0	-56.79	289.22	0.10	-56.69
CN(CCCNC(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005066638	0	35	-1.0	-52.72	306.48	1.27	-51.45
C[C@@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005066639	0	43	0.0	-68.51	342.88	1.57	-66.94
C[C@@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005066639	1	42	-1.0	-48.86	336.97	-0.86	-49.72
CN(CCCNC(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005066640	0	34	-1.0	-48.20	296.35	0.57	-47.63
CN(CCCNC(=O)C1C=CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066641	0	39	-1.0	-48.38	325.06	2.21	-46.17
C#CC(C)(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066642	0	39	-1.0	-50.76	334.01	2.11	-48.65
CO[C@H](C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066643	0	38	-1.0	-51.41	322.26	0.49	-50.92
CC(=O)CCC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066644	0	39	-1.0	-49.90	334.34	1.10	-48.80
C[C@@H](O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066645	0	35	-1.0	-49.85	300.55	-1.72	-51.57
CN(CCCNC(=O)CN1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066646	0	40	-1.0	-49.89	331.12	-1.65	-51.54
CN(CCCNC(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066646	1	41	0.0	-69.74	335.44	1.58	-68.16
CC(O)C(C)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066647	0	41	-1.0	-50.63	334.77	-0.40	-51.03
C=C1CC1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066648	0	36	-1.0	-48.85	313.84	1.77	-47.08
CN(CCCNC(=O)C1(C)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066649	0	39	-1.0	-48.84	325.45	-0.46	-49.30
CN(CCCNC(=O)C1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005066650	0	36	-1.0	-55.45	314.36	-3.13	-58.58
CN(CCCNC(=O)[C@@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005066651	0	36	-1.0	-55.57	314.70	-2.89	-58.46
CCC[C@H](O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066652	0	41	-1.0	-48.70	342.54	-0.09	-48.79
CN(CCCNC(=O)C1(F)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066653	0	38	-1.0	-46.89	322.86	1.76	-45.13
CN(CCCNC(=O)C1=CN=CN1)C(=O)C1=CC(=O)[N-]O1	REAL250005066654	0	35	-1.0	-52.39	307.08	0.27	-52.12
CN(CCCNC(=O)C1CC(=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005066655	0	37	-1.0	-50.69	318.96	0.77	-49.92
CN(CCCNC(=O)C1(O)COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066656	0	37	-1.0	-51.14	315.28	-4.11	-55.25
CC(C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005066657	0	39	-1.0	-49.58	332.53	2.67	-46.91
CC1=CC1C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066658	0	36	-1.0	-49.71	315.32	1.90	-47.81
CN(C)C(=O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066659	0	38	-1.0	-49.04	322.42	-0.73	-49.77
CCCC(O)C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066660	0	41	-1.0	-49.23	342.55	-0.09	-49.32
CCC(O)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066661	0	41	-1.0	-51.77	341.93	-0.42	-52.19
CN(CCCNC(=O)[C@H]1CC(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL250005066662	0	36	-1.0	-55.85	314.21	-3.23	-59.08
COC1(C(=O)NCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066663	0	39	-1.0	-50.09	328.05	0.94	-49.15
CN(CCCNC(=O)C1CSC1)C(=O)C1=CC(=O)[N-]O1	REAL250005066664	0	36	-1.0	-48.70	316.35	1.36	-47.34
C=CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005066665	0	32	-1.0	-49.24	281.61	0.16	-49.08
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(=O)N1	REAL250005066666	0	36	-1.0	-56.70	316.44	-3.12	-59.82
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(F)C1	REAL250005066667	0	38	-1.0	-51.55	324.03	1.82	-49.73
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NO1	REAL250005066668	0	34	-1.0	-48.05	304.47	0.16	-47.89
CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066669	0	35	-1.0	-44.38	297.69	0.17	-44.21
COCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066670	0	39	-1.0	-44.75	328.44	-0.23	-44.98
CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066671	0	32	-1.0	-44.75	277.38	-0.64	-45.39
O=C(NCC(NC(=O)C1CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066672	0	36	-1.0	-44.25	308.21	0.94	-43.31
O=C(NCC(NC(=O)C1CCC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066673	0	39	-1.0	-44.03	324.40	1.46	-42.57
O=C(CC1CC1)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066674	0	39	-1.0	-44.29	328.63	1.71	-42.58
CC(C)(F)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066675	0	38	-1.0	-42.66	324.51	0.83	-41.83
COCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066676	0	36	-1.0	-47.26	307.49	-0.04	-47.30
CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066677	0	38	-1.0	-44.29	316.27	1.46	-42.83
CC(C)CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066678	0	41	-1.0	-43.78	332.99	2.06	-41.72
CC1CC1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066679	0	39	-1.0	-44.24	326.66	2.15	-42.09
CCOCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066680	0	39	-1.0	-47.24	329.34	0.92	-46.32
CC(C)=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066681	0	39	-1.0	-43.70	327.16	1.47	-42.23
CSCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066682	0	36	-1.0	-46.33	317.83	1.13	-45.20
CCCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066683	0	41	-1.0	-44.32	337.76	2.24	-42.08
CC(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066684	0	38	-1.0	-43.98	317.23	0.85	-43.13
CCC(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066685	0	41	-1.0	-43.79	335.36	1.49	-42.30
COC(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066686	0	39	-1.0	-46.59	329.39	0.20	-46.39
C=CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066687	0	39	-1.0	-44.11	329.08	2.02	-42.09
CC=C(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066688	0	39	-1.0	-44.41	325.99	1.47	-42.94
CC1(C(=O)NC(CNC(=O)C2=CC(=O)[N-]O2)C2CC2)CC1	REAL250005066689	0	39	-1.0	-43.98	325.96	1.54	-42.44
C[C@@H]1C[C@H]1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066690	0	39	-1.0	-44.18	326.66	2.15	-42.03
CCC(F)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066691	0	38	-1.0	-46.01	322.54	1.51	-44.50
O=C(CCCF)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066692	0	38	-1.0	-46.46	322.86	1.60	-44.86
C[C@H]1C[C@@H]1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066693	0	39	-1.0	-44.22	326.67	2.15	-42.07
NC(=O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066694	0	33	-1.0	-45.59	293.03	-4.49	-50.08
CC(C)(C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066695	0	41	-1.0	-43.79	336.12	1.40	-42.39
C=CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066696	0	36	-1.0	-44.47	307.68	1.24	-43.23
C[NH+](C)CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066697	0	41	0.0	-64.24	330.35	1.42	-62.82
CN(C)CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066697	1	40	-1.0	-44.78	328.27	-0.96	-45.74
C=CC(O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066698	0	37	-1.0	-44.28	319.05	-1.35	-45.63
O=C(NCC(NC(=O)C1COC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066699	0	37	-1.0	-45.19	312.12	-0.80	-45.99
CO[C@H](C)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066700	0	39	-1.0	-46.79	326.90	0.65	-46.14
CCC=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066701	0	39	-1.0	-44.34	332.34	1.54	-42.80
O=C(CO)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066703	0	33	-1.0	-48.66	285.24	-2.32	-50.98
CC(O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066704	0	36	-1.0	-44.65	308.49	-2.08	-46.73
O=C(NCC(NC(=O)C1CC1F)C1CC1)C1=CC(=O)[N-]O1	REAL250005066705	0	36	-1.0	-44.69	315.00	1.04	-43.65
O=C(CCF)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066706	0	35	-1.0	-44.30	301.36	0.84	-43.46
O=C(C=CCF)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066707	0	36	-1.0	-46.53	317.44	0.89	-45.64
C#CCCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066708	0	37	-1.0	-44.88	322.05	1.98	-42.90
O=C(NCC(NC(=O)C1CCO1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066709	0	37	-1.0	-47.75	313.23	0.23	-47.52
CC(C)(O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066710	0	39	-1.0	-43.90	328.17	-2.41	-46.31
CC1=CC1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066711	0	37	-1.0	-45.46	320.32	2.17	-43.29
C[C@@H](O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066712	0	36	-1.0	-45.78	305.19	-1.56	-47.34
O=C(C=CCO)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066713	0	37	-1.0	-47.67	322.36	-2.58	-50.25
O=C(NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1)C1=CCC1	REAL250005066714	0	37	-1.0	-45.06	315.75	2.05	-43.01
CON=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066715	0	36	-1.0	-47.35	320.14	-1.25	-48.60
O=C(NCC(NC(=O)C1(F)CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066716	0	36	-1.0	-44.39	314.59	0.99	-43.40
CC=C(F)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066717	0	36	-1.0	-43.45	316.22	0.86	-42.59
CC(CO)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066718	0	39	-1.0	-44.93	327.82	-2.44	-47.37
C[C@H](O)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066719	0	36	-1.0	-45.63	308.49	-2.08	-47.71
C=C1CC1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066720	0	37	-1.0	-44.55	321.77	1.51	-43.04
CC(CF)C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066721	0	38	-1.0	-43.75	323.22	0.98	-42.77
C=C(C)CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066722	0	39	-1.0	-44.52	329.03	1.88	-42.64
CC=CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066723	0	36	-1.0	-44.48	311.25	0.78	-43.70
C[C@@H]1C[C@H]1C(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066724	0	39	-1.0	-44.18	326.66	2.15	-42.03
O=C(NCC(NC(=O)C1(O)CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066725	0	37	-1.0	-45.07	316.52	-2.13	-47.20
O=C(CC1CC1)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066726	0	39	-1.0	-44.10	328.60	1.72	-42.38
CC(C)(F)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066727	0	38	-1.0	-44.55	324.14	0.84	-43.71
COCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066728	0	36	-1.0	-46.68	310.40	-0.46	-47.14
CCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066729	0	38	-1.0	-43.92	319.19	0.96	-42.96
CC(C)CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066730	0	41	-1.0	-43.56	335.91	1.53	-42.03
CC1CC1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066731	0	39	-1.0	-43.89	329.58	1.63	-42.26
CCOCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066732	0	39	-1.0	-46.63	332.27	0.51	-46.12
CC(C)=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066733	0	39	-1.0	-43.93	327.10	1.49	-42.44
CSCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066734	0	36	-1.0	-45.77	320.74	0.61	-45.16
CCCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066735	0	41	-1.0	-43.91	340.68	1.74	-42.17
CC(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066736	0	38	-1.0	-43.67	317.23	0.84	-42.83
CCC(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066737	0	41	-1.0	-43.52	335.36	1.49	-42.03
COC(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066738	0	39	-1.0	-46.06	329.39	0.28	-45.78
C=CCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066739	0	39	-1.0	-44.00	332.00	1.52	-42.48
CC(C#N)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066740	0	36	-1.0	-48.97	316.66	0.45	-48.52
CC=C(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066741	0	39	-1.0	-44.24	325.99	1.45	-42.79
CCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066742	0	35	-1.0	-44.16	297.68	0.19	-43.97
COCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066743	0	39	-1.0	-44.55	331.36	-0.74	-45.29
CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066744	0	32	-1.0	-44.52	277.39	-0.64	-45.16
O=C(NC(CNC(=O)C1CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066745	0	36	-1.0	-44.20	305.28	1.49	-42.71
O=C(NC(CNC(=O)C1CCC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066746	0	39	-1.0	-43.88	321.48	1.99	-41.89
NC(=O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066747	0	33	-1.0	-47.17	293.04	-4.49	-51.66
CC(C)(C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066748	0	41	-1.0	-43.49	336.12	1.40	-42.09
CC1(C(=O)NCC(NC(=O)C2=CC(=O)[N-]O2)C2CC2)CC1	REAL250005066749	0	39	-1.0	-43.93	323.03	2.07	-41.86
C[C@@H]1C[C@H]1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066750	0	39	-1.0	-44.04	329.56	1.61	-42.43
CCC(F)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066751	0	38	-1.0	-44.20	325.45	0.98	-43.22
O=C(CCCF)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066752	0	38	-1.0	-45.80	325.77	1.09	-44.71
C[C@H]1C[C@@H]1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066753	0	39	-1.0	-44.18	326.66	2.15	-42.03
O=C(CO)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066754	0	33	-1.0	-48.06	288.15	-2.74	-50.80
O=C(NC(CNC(=O)C1CCO1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066755	0	37	-1.0	-47.29	316.14	-0.19	-47.48
O=C(NC(CNC(=O)C1COC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066756	0	37	-1.0	-44.87	312.12	-0.78	-45.65
O=C(C=CCO)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066757	0	37	-1.0	-47.12	322.36	-2.58	-49.70
CCC=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066758	0	39	-1.0	-44.26	332.34	1.54	-42.72
C#CCCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066759	0	37	-1.0	-44.65	324.97	1.47	-43.18
C=CC(O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066760	0	37	-1.0	-44.31	319.05	-1.22	-45.53
CC(O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066761	0	36	-1.0	-47.37	308.02	-1.95	-49.32
CC(=O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066762	0	34	-1.0	-45.51	299.94	-0.68	-46.19
O=C(NC(CNC(=O)C1(F)CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066763	0	36	-1.0	-44.15	311.48	1.52	-42.63
CC=C(F)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066764	0	36	-1.0	-44.36	316.23	0.85	-43.51
CC(CO)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066765	0	39	-1.0	-44.60	327.81	-2.44	-47.04
O=C(NC(CNC(=O)C1(O)CC1)C1CC1)C1=CC(=O)[N-]O1	REAL250005066766	0	37	-1.0	-44.25	313.59	-1.59	-45.84
O=C(NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1)C1=CCC1	REAL250005066767	0	37	-1.0	-44.89	315.24	1.98	-42.91
CC(CF)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066768	0	38	-1.0	-43.38	323.02	0.97	-42.41
CC=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066769	0	36	-1.0	-44.44	311.25	0.78	-43.66
O=C(C=CCF)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066770	0	36	-1.0	-45.87	317.44	0.89	-44.98
C[C@H](O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066772	0	36	-1.0	-45.07	308.47	-1.95	-47.02
CON=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066773	0	36	-1.0	-47.02	320.14	-1.26	-48.28
C[C@@H]1C[C@H]1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066774	0	39	-1.0	-44.04	329.56	1.61	-42.43
CC(C)(O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066775	0	39	-1.0	-44.09	328.16	-2.40	-46.49
C=C(C)CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066776	0	39	-1.0	-44.10	332.20	1.38	-42.72
C=CCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066777	0	36	-1.0	-44.33	310.59	0.72	-43.61
C[NH+](C)CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066778	0	41	0.0	-63.28	333.27	0.89	-62.39
CN(C)CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066778	1	40	-1.0	-44.50	331.18	-1.49	-45.99
N#CCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066779	0	33	-1.0	-51.02	297.14	-0.15	-51.17
O=C(NC(CNC(=O)C1CC1F)C1CC1)C1=CC(=O)[N-]O1	REAL250005066780	0	36	-1.0	-44.01	315.00	1.04	-42.97
O=C(CCF)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066781	0	35	-1.0	-44.11	304.28	0.33	-43.78
CO[C@H](C)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066782	0	39	-1.0	-46.22	327.26	0.78	-45.44
C[C@@H](O)C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066783	0	36	-1.0	-45.18	305.55	-1.43	-46.61
C=C1CC1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066784	0	37	-1.0	-44.33	321.75	1.53	-42.80
CC1=CC1C(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066785	0	37	-1.0	-45.51	320.28	2.19	-43.32
C=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066786	0	33	-1.0	-44.63	289.53	-0.11	-44.74
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(CC)C1	REAL250005066787	0	41	-1.0	-45.59	327.27	2.30	-43.29
CCC1CN(C(C)=O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005066788	0	38	-1.0	-48.03	302.40	1.78	-46.25
CCC1CN(C(=O)CO)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005066789	0	39	-1.0	-49.95	317.74	-0.60	-50.55
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CC	REAL250005066790	0	41	-1.0	-47.02	320.81	2.43	-44.59
CCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(C)=O	REAL250005066791	0	38	-1.0	-47.26	300.52	1.61	-45.65
CCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)CO	REAL250005066792	0	39	-1.0	-51.35	311.27	-0.49	-51.84
C=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CC	REAL250005066793	0	39	-1.0	-47.28	315.92	1.74	-45.54
CCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066794	0	32	-1.0	-49.85	274.57	0.49	-49.36
COCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066795	0	36	-1.0	-50.07	308.25	-0.44	-50.51
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066796	0	33	-1.0	-50.41	285.50	1.28	-49.13
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005066797	0	36	-1.0	-50.13	301.32	1.76	-48.37
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL250005066798	0	39	-1.0	-49.96	317.62	2.38	-47.58
O=C(CC1CC1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066799	0	36	-1.0	-49.86	305.58	2.04	-47.82
CC(C)(F)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066800	0	35	-1.0	-51.83	301.39	1.14	-50.69
CC(F)(F)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066801	0	32	-1.0	-48.73	286.43	0.67	-48.06
COCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066802	0	33	-1.0	-52.63	287.30	-0.15	-52.78
CCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066803	0	35	-1.0	-49.77	296.07	1.25	-48.52
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL250005066804	0	33	-1.0	-52.72	294.20	0.79	-51.93
CC(=O)NCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066805	0	36	-1.0	-53.17	312.95	-1.82	-54.99
CC(C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066806	0	38	-1.0	-49.33	312.80	1.84	-47.49
CC1CC1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066807	0	36	-1.0	-50.42	306.47	1.93	-48.49
CCOCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066808	0	36	-1.0	-52.65	309.15	0.81	-51.84
CC(C)=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066809	0	36	-1.0	-50.23	304.05	1.81	-48.42
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CCCO1	REAL250005066810	0	37	-1.0	-51.64	310.73	1.10	-50.54
CSCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066811	0	33	-1.0	-51.57	297.64	0.91	-50.66
CSCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066812	0	36	-1.0	-49.69	319.31	1.73	-47.96
CC(C)CCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066813	0	41	-1.0	-49.71	335.14	2.54	-47.17
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN1	REAL250005066814	0	34	-1.0	-52.42	297.09	0.59	-51.83
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=COC=C1	REAL250005066815	0	33	-1.0	-53.16	293.34	0.76	-52.40
CCCCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066816	0	41	-1.0	-49.62	339.07	2.82	-46.80
CC(C)(C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066817	0	41	-1.0	-48.70	327.77	2.37	-46.33
CCCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066818	0	38	-1.0	-49.76	317.57	2.03	-47.73
CC(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066819	0	35	-1.0	-49.78	294.12	1.15	-48.63
CCC(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066820	0	38	-1.0	-49.61	311.05	1.79	-47.82
CCC(CC)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066821	0	41	-1.0	-49.77	328.09	2.30	-47.47
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=NN1	REAL250005066822	0	33	-1.0	-51.25	291.83	-0.72	-51.97
CSC(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066823	0	36	-1.0	-50.87	315.70	1.46	-49.41
CCOC(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066824	0	39	-1.0	-52.52	327.68	1.50	-51.02
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CNN=C1	REAL250005066825	0	33	-1.0	-52.93	292.08	-0.75	-53.68
COCCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066826	0	39	-1.0	-51.63	329.75	0.32	-51.31
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=NOC=C1	REAL250005066827	0	32	-1.0	-54.80	288.68	0.05	-54.75
CCC=C(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066828	0	39	-1.0	-50.72	323.27	2.54	-48.18
COC(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066829	0	36	-1.0	-52.47	305.82	0.54	-51.93
CC(C)OCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066830	0	39	-1.0	-52.72	329.42	1.54	-51.18
CCCOCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066831	0	39	-1.0	-52.42	330.65	1.61	-50.81
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CCOC1	REAL250005066832	0	37	-1.0	-49.79	308.91	-0.22	-50.01
CCC(OC)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066833	0	39	-1.0	-52.31	326.26	1.39	-50.92
COC(C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066834	0	39	-1.0	-52.38	327.39	1.09	-51.29
C=CCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066835	0	36	-1.0	-49.46	308.88	1.82	-47.64
CCOCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066836	0	39	-1.0	-50.06	330.10	0.53	-49.53
COCC(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066837	0	39	-1.0	-50.12	326.95	0.27	-49.85
C=CCOCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066838	0	37	-1.0	-52.63	322.05	1.39	-51.24
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=COC=N1	REAL250005066839	0	32	-1.0	-54.11	288.99	-2.60	-56.71
CCCC(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066840	0	41	-1.0	-49.62	332.55	2.54	-47.08
O=C(CCC1CC1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066841	0	39	-1.0	-49.80	327.67	2.81	-46.99
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CC=CC1	REAL250005066842	0	37	-1.0	-49.95	310.17	2.26	-47.69
O=C(CC1CCC1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066843	0	39	-1.0	-49.86	322.46	2.54	-47.32
CC(C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005066844	0	39	-1.0	-49.78	324.06	2.64	-47.14
CC=C(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066845	0	36	-1.0	-50.97	302.88	1.77	-49.20
CC1CC(C(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005066846	0	39	-1.0	-49.87	322.70	2.43	-47.44
O=C(C=C1CCC1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066847	0	37	-1.0	-51.30	313.79	2.49	-48.81
CC(C)=C(F)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066848	0	36	-1.0	-50.44	308.39	1.85	-48.59
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CCCC1	REAL250005066849	0	37	-1.0	-51.26	311.21	2.38	-48.88
CC1(C)CC1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066850	0	39	-1.0	-49.71	321.68	2.47	-47.24
CC1(C)C[C@@H]1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066851	0	39	-1.0	-49.82	321.71	2.50	-47.32
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCCO1	REAL250005066852	0	37	-1.0	-53.98	310.74	1.10	-52.88
CCC(C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066853	0	41	-1.0	-49.39	331.03	2.50	-46.89
C#CCCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066854	0	37	-1.0	-51.75	323.35	2.55	-49.20
CC(C)(O)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066855	0	39	-1.0	-50.90	321.88	-0.26	-51.16
CC(C)[C@@H](O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066856	0	39	-1.0	-50.32	321.30	-0.11	-50.43
CCC(C)=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066857	0	39	-1.0	-49.89	325.57	2.57	-47.32
CC(C)C#CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066858	0	37	-1.0	-52.90	323.97	2.51	-50.39
O=C(C#CC1CC1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066859	0	35	-1.0	-53.19	313.65	2.70	-50.49
C=C(C)CCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066860	0	39	-1.0	-49.43	330.23	2.47	-46.96
CC1(C(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066861	0	36	-1.0	-50.59	302.86	1.87	-48.72
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)[C@H]1CCCO1	REAL250005066862	0	37	-1.0	-52.27	311.39	1.10	-51.17
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=NNN=C1	REAL250005066863	0	32	-1.0	-51.42	287.54	-2.17	-53.59
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=NN1	REAL250005066863	1	32	-1.0	-50.74	286.60	-2.09	-52.83
CC1(CC(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066864	0	39	-1.0	-49.45	325.56	2.53	-46.92
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=CO1	REAL250005066865	0	32	-1.0	-52.48	288.99	-2.50	-54.98
C=CC(C)(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066866	0	39	-1.0	-49.68	320.57	2.11	-47.57
C[C@@H]1C[C@H]1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066867	0	36	-1.0	-50.21	306.48	1.94	-48.27
CC1(C(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005066868	0	39	-1.0	-50.14	318.72	2.33	-47.81
CCC(F)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066869	0	35	-1.0	-48.55	302.35	1.31	-47.24
O=C(CCCF)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066870	0	35	-1.0	-51.19	302.66	1.39	-49.80
C[C@H]1C[C@@H]1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066871	0	36	-1.0	-50.24	306.49	1.93	-48.31
CC(C)C(F)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066872	0	38	-1.0	-51.60	316.86	1.88	-49.72
C=CCCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066873	0	39	-1.0	-49.91	330.38	2.60	-47.31
CCC(C)(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066874	0	41	-1.0	-49.96	326.03	2.21	-47.75
NC(=O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066875	0	30	-1.0	-52.31	269.92	-4.18	-56.49
CC1CC1CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066876	0	39	-1.0	-49.85	326.90	2.71	-47.14
CCC1(C(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066877	0	39	-1.0	-50.14	327.81	2.44	-47.70
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1(CF)CC1	REAL250005066878	0	36	-1.0	-50.36	309.78	2.04	-48.32
CC(C)(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066879	0	38	-1.0	-49.85	311.81	1.71	-48.14
CC(C)C(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066880	0	41	-1.0	-49.16	326.95	2.35	-46.81
CC[C@@H]1C[C@H]1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066881	0	39	-1.0	-50.23	327.82	2.78	-47.45
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CC12CC2	REAL250005066882	0	37	-1.0	-51.09	317.96	2.76	-48.33
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CC(=O)N1	REAL250005066883	0	34	-1.0	-54.46	298.98	-3.08	-57.54
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)[C@H]1CC(=O)N1	REAL250005066884	0	34	-1.0	-54.98	299.09	-3.15	-58.13
COC1(C(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066885	0	37	-1.0	-52.34	314.14	0.84	-51.50
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CSC1	REAL250005066886	0	34	-1.0	-49.04	301.18	1.41	-47.63
C=CCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066887	0	33	-1.0	-49.71	287.49	1.03	-48.68
C[NH+](C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066888	0	38	0.0	-62.16	310.16	1.20	-60.96
CN(C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066888	1	37	-1.0	-50.39	308.08	-1.18	-51.57
C=CC(O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066889	0	34	-1.0	-49.48	298.59	-1.10	-50.58
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1COC1	REAL250005066890	0	34	-1.0	-49.96	291.91	-1.01	-50.97
CO[C@H](C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066891	0	36	-1.0	-52.45	305.86	0.56	-51.89
CC=CC(O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066892	0	37	-1.0	-49.54	320.29	-0.24	-49.78
C[C@@H](C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005066893	0	41	0.0	-58.91	328.32	1.61	-57.30
C[C@@H](C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005066893	1	40	-1.0	-49.70	320.86	-0.83	-50.53
CCC=C(F)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066894	0	36	-1.0	-49.99	313.42	1.90	-48.09
CCC=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066895	0	36	-1.0	-50.35	309.23	1.86	-48.49
CC(C)(CO)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066897	0	39	-1.0	-50.29	321.16	-1.49	-51.78
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1(F)CCC1	REAL250005066898	0	36	-1.0	-52.01	308.17	1.83	-50.18
O=C(CO)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066899	0	30	-1.0	-53.84	265.04	-2.43	-56.27
NC(=O)C=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066900	0	34	-1.0	-54.39	304.53	-2.87	-57.26
CC(O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066901	0	33	-1.0	-49.27	284.11	-1.65	-50.92
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1(O)CCC1	REAL250005066902	0	37	-1.0	-51.53	309.42	-1.28	-52.81
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C(O)C1CC1	REAL250005066903	0	37	-1.0	-50.91	313.71	0.17	-50.74
C=CCC(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066904	0	39	-1.0	-49.53	326.74	2.39	-47.14
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1F	REAL250005066905	0	33	-1.0	-48.38	291.89	1.35	-47.03
C[C@@H](C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005066906	0	41	0.0	-58.91	328.32	1.61	-57.30
C[C@@H](C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005066906	1	40	-1.0	-49.70	320.86	-0.83	-50.53
O=C(CCF)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066907	0	32	-1.0	-48.99	281.17	0.63	-48.36
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1(O)COC1	REAL250005066908	0	35	-1.0	-51.86	300.57	-3.50	-55.36
CC(C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005066909	0	37	-1.0	-51.66	317.38	2.73	-48.93
CCC1CC1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066910	0	39	-1.0	-49.73	322.41	2.71	-47.02
O=C(CC1(O)CC1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066911	0	37	-1.0	-52.91	316.57	-1.47	-54.38
O=C(C=CCF)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066912	0	33	-1.0	-50.83	294.33	1.21	-49.62
C#CCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066913	0	34	-1.0	-50.17	301.86	1.77	-48.40
O=C(CN1CCC1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066914	0	38	-1.0	-51.93	316.00	-1.58	-53.51
O=C(C[NH+]1CCC1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066914	1	39	0.0	-61.49	320.27	1.64	-59.85
C#C[C@H]1C[C@H]1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066915	0	35	-1.0	-52.28	307.98	2.43	-49.85
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1C2CCC21	REAL250005066916	0	37	-1.0	-50.52	307.80	2.60	-47.92
C=C1CCC1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066917	0	37	-1.0	-50.34	308.78	2.26	-48.08
C[C@H]1C(C(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005066918	0	39	-1.0	-50.46	323.36	2.51	-47.95
C[C@H](C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005066919	0	41	0.0	-58.93	328.31	1.64	-57.29
C[C@H](C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005066919	1	40	-1.0	-49.57	318.61	-0.85	-50.42
CC=CC=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066920	0	37	-1.0	-50.90	323.31	2.53	-48.37
COCC=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066921	0	37	-1.0	-51.39	321.50	0.14	-51.25
CC1(C(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)COC1	REAL250005066922	0	37	-1.0	-49.96	310.29	-0.41	-50.37
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CCO1	REAL250005066923	0	34	-1.0	-54.02	293.45	0.15	-53.87
[N-]=[N+]=NCCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066924	0	34	-1.0	-48.27	304.71	-2.90	-51.17
C#CCOCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066925	0	35	-1.0	-54.87	314.93	1.35	-53.52
CC(C)(O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066926	0	36	-1.0	-48.28	305.06	-2.09	-50.37
CC1=CC1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066927	0	34	-1.0	-52.05	300.09	1.98	-50.07
CN(C)C(=O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066928	0	36	-1.0	-53.40	307.06	-0.68	-54.08
CSC=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066929	0	34	-1.0	-50.86	310.20	1.40	-49.46
CCC(C)(O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066930	0	39	-1.0	-48.29	321.67	-1.42	-49.71
CC[N@H+](C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066931	0	41	0.0	-61.05	327.87	1.86	-59.19
CC[N@@H+](C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066931	1	41	0.0	-61.08	327.90	1.90	-59.18
CCN(C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066931	1	40	-1.0	-50.28	326.05	-0.39	-50.67
C=C1CC(C(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005066932	0	37	-1.0	-50.35	314.45	2.26	-48.09
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1F	REAL250005066933	0	36	-1.0	-52.27	308.35	1.90	-50.37
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=CN1	REAL250005066934	0	33	-1.0	-52.94	291.91	0.34	-52.60
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1(Cl)CC1	REAL250005066935	0	33	-1.0	-50.64	300.87	1.79	-48.85
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CCCO1	REAL250005066936	0	35	-1.0	-51.76	302.68	0.37	-51.39
CCC[C@H](O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066937	0	39	-1.0	-50.95	327.42	-0.02	-50.97
CC(C)[C@H](O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066938	0	39	-1.0	-49.97	318.09	-0.85	-50.82
CCOC=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066939	0	37	-1.0	-51.72	321.21	0.73	-50.99
C[C@@H](O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066940	0	33	-1.0	-49.29	284.15	-1.64	-50.93
O=C(CCCCF)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066941	0	38	-1.0	-50.09	324.16	2.17	-47.92
O=C(C=CCO)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066942	0	34	-1.0	-52.73	299.25	-2.27	-55.00
COC(C)(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066943	0	39	-1.0	-52.77	317.82	1.03	-51.74
O=C(CCCCO)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066944	0	39	-1.0	-51.27	328.99	-1.30	-52.57
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1(CO)CC1	REAL250005066945	0	37	-1.0	-53.06	317.19	-1.60	-54.66
COC(F)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066946	0	33	-1.0	-52.19	293.20	-0.68	-52.87
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C12CC1CC2	REAL250005066947	0	37	-1.0	-50.92	313.54	2.47	-48.45
C=C[C@H](C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066948	0	39	-1.0	-49.02	325.59	2.39	-46.63
O=C(C=CC1CC1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066949	0	37	-1.0	-50.55	320.14	2.69	-47.86
CC=C(CC)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066950	0	39	-1.0	-50.85	323.92	2.48	-48.37
C=CC(C)(O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066951	0	37	-1.0	-50.58	315.25	-1.34	-51.92
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005066952	0	34	-1.0	-51.78	295.56	1.82	-49.96
CON=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066953	0	33	-1.0	-52.40	297.04	-0.94	-53.34
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1(F)CC1	REAL250005066954	0	33	-1.0	-51.80	291.49	1.31	-50.49
O=C(COCCO)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066955	0	37	-1.0	-56.82	320.52	-2.32	-59.14
CC(C)(CF)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066956	0	38	-1.0	-48.49	316.81	1.80	-46.69
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=NOCC1	REAL250005066957	0	34	-1.0	-52.15	298.60	-0.67	-52.82
COCC(O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066958	0	37	-1.0	-49.06	316.94	-2.34	-51.40
C#CC(C)(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066959	0	37	-1.0	-51.92	317.62	2.15	-49.77
O=C(COC1CC1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066960	0	37	-1.0	-53.19	319.53	1.58	-51.61
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=NC=CN1	REAL250005066961	0	33	-1.0	-55.00	293.07	-0.46	-55.46
CCCC=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066962	0	39	-1.0	-50.19	330.73	2.64	-47.55
CC=C(F)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066963	0	33	-1.0	-50.19	293.12	1.16	-49.03
CCC(CO)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066964	0	39	-1.0	-51.32	322.08	-1.40	-52.72
CC(CO)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066965	0	36	-1.0	-50.04	303.51	-2.15	-52.19
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CON=C1	REAL250005066966	0	32	-1.0	-51.20	288.31	0.22	-50.98
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1C[C@H]1CF	REAL250005066967	0	36	-1.0	-51.52	313.58	2.08	-49.44
C#CC1(C(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005066968	0	35	-1.0	-50.66	310.81	2.34	-48.32
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=COCC1	REAL250005066969	0	35	-1.0	-51.13	301.31	0.35	-50.78
C[C@H](O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066970	0	33	-1.0	-49.23	284.10	-1.64	-50.87
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1C=CCC1	REAL250005066971	0	37	-1.0	-50.20	310.62	2.31	-47.89
CC(O)C(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066972	0	39	-1.0	-51.94	321.61	-0.43	-52.37
C=C1CC1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066973	0	34	-1.0	-50.76	298.65	1.83	-48.93
CC(CF)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066974	0	35	-1.0	-48.34	298.91	1.28	-47.06
C=C(C)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066975	0	36	-1.0	-50.03	309.10	1.68	-48.35
CCSCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066976	0	36	-1.0	-51.49	319.10	1.81	-49.68
CC(C)=C(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066977	0	39	-1.0	-50.48	318.10	2.47	-48.01
CCCC(O)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066978	0	39	-1.0	-50.92	327.36	-0.04	-50.96
CCC(O)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066979	0	39	-1.0	-52.25	326.75	-0.36	-52.61
CC(Cl)=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066980	0	33	-1.0	-50.87	300.12	1.61	-49.26
CC=CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066981	0	33	-1.0	-50.63	288.15	1.10	-49.53
CC1(C(=O)NCC2CCN2C(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005066982	0	36	-1.0	-48.42	309.05	1.95	-46.47
O=C(C1=CC(=O)[N-]O1)N1CCC1CNC(=O)[C@H]1C[C@@H](O)C1	REAL250005066983	0	37	-1.0	-53.64	313.13	-1.62	-55.26
C[C@@H]1C[C@H]1C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066984	0	36	-1.0	-50.21	306.48	1.94	-48.27
CNC(=O)CC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066985	0	36	-1.0	-59.08	310.66	-0.46	-59.54
C=CC=CCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066986	0	37	-1.0	-50.13	322.74	2.46	-47.67
NC(=O)CCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066987	0	36	-1.0	-53.83	312.26	-2.68	-56.51
CC(O)CCC(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066988	0	39	-1.0	-50.67	327.88	-1.25	-51.92
C#CCC(C)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066989	0	37	-1.0	-49.61	318.53	2.32	-47.29
CC(CCO)C(=O)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005066990	0	39	-1.0	-52.66	322.47	-1.56	-54.22
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)[C@H](O)CF	REAL250005066991	0	33	-1.0	-48.96	289.94	-1.48	-50.44
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1(O)CC1	REAL250005066992	0	34	-1.0	-51.22	293.43	-1.82	-53.04
O=C(CC1CC1)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005066993	0	36	-1.0	-55.27	308.84	2.13	-53.14
CC(C)(F)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005066994	0	35	-1.0	-49.82	301.54	0.35	-49.47
CC(F)(F)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005066995	0	32	-1.0	-50.96	288.01	0.61	-50.35
COCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005066996	0	33	-1.0	-55.68	292.11	-0.78	-56.46
CCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005066997	0	35	-1.0	-54.59	299.40	1.35	-53.24
O=C(NCC1CCN1C(=O)C1=CC=CO1)C1=CC(=O)[N-]O1	REAL250005066998	0	33	-1.0	-56.08	294.12	0.88	-55.20
CC(=O)NCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005066999	0	36	-1.0	-53.61	316.28	-1.72	-55.33
CC(C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067000	0	38	-1.0	-54.31	316.13	1.95	-52.36
CC1CC1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067001	0	36	-1.0	-52.17	311.29	1.30	-50.87
CCOCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067002	0	36	-1.0	-55.78	313.96	0.19	-55.59
CC(C)=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067003	0	36	-1.0	-53.63	305.77	1.89	-51.74
O=C(NCC1CCN1C(=O)C1CCCO1)C1=CC(=O)[N-]O1	REAL250005067004	0	37	-1.0	-60.13	311.18	1.03	-59.10
CSCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067005	0	33	-1.0	-54.79	302.45	0.29	-54.50
CSCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067006	0	36	-1.0	-53.04	322.64	1.83	-51.21
CC(C)CCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067007	0	41	-1.0	-54.87	338.47	2.65	-52.22
O=C(NCC1CCN1C(=O)C1=CC=CN1)C1=CC(=O)[N-]O1	REAL250005067008	0	34	-1.0	-59.69	295.81	0.69	-59.00
O=C(NCC1CCN1C(=O)C1=COC=C1)C1=CC(=O)[N-]O1	REAL250005067009	0	33	-1.0	-59.79	291.72	0.57	-59.22
CCCCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067010	0	41	-1.0	-51.86	343.88	2.20	-49.66
CC(C)(C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067011	0	41	-1.0	-53.57	331.10	2.48	-51.09
CCCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067012	0	38	-1.0	-51.93	322.39	1.42	-50.51
CC(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067013	0	35	-1.0	-54.71	294.64	1.01	-53.70
CCC(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067014	0	38	-1.0	-52.00	314.41	0.94	-51.06
CCC(CC)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067015	0	41	-1.0	-55.13	331.97	2.37	-52.76
O=C(NCC1CCN1C(=O)C1=NNC=C1)C1=CC(=O)[N-]O1	REAL250005067016	0	33	-1.0	-57.42	292.69	-0.62	-58.04
O=C(NCC1CCN1C(=O)C1=CC=NN1)C1=CC(=O)[N-]O1	REAL250005067016	1	33	-1.0	-55.82	290.57	-0.67	-56.49
CSC(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067017	0	36	-1.0	-58.87	319.41	1.60	-57.27
CCOC(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067018	0	39	-1.0	-55.84	331.23	0.71	-55.13
O=C(NCC1CCN1C(=O)C1=CNN=C1)C1=CC(=O)[N-]O1	REAL250005067019	0	33	-1.0	-53.41	291.84	-1.73	-55.14
COCCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067020	0	39	-1.0	-54.78	334.56	-0.29	-55.07
O=C(NCC1CCN1C(=O)C1=NOC=C1)C1=CC(=O)[N-]O1	REAL250005067021	0	32	-1.0	-54.93	288.66	0.20	-54.73
CCC=C(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067022	0	39	-1.0	-56.19	320.87	2.20	-53.99
COC(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067023	0	36	-1.0	-59.13	307.68	0.43	-58.70
CC(C)OCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067024	0	39	-1.0	-55.64	334.24	0.92	-54.72
CCCOCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067025	0	39	-1.0	-55.52	335.46	0.99	-54.53
O=C(NCC1CCN1C(=O)C1CCOC1)C1=CC(=O)[N-]O1	REAL250005067026	0	37	-1.0	-54.39	311.04	-0.16	-54.55
CCC(OC)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067027	0	39	-1.0	-57.43	326.46	1.30	-56.13
COC(C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067028	0	39	-1.0	-52.96	332.20	0.46	-52.50
C=CCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067029	0	36	-1.0	-54.60	312.21	1.92	-52.68
CCOCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067030	0	39	-1.0	-53.83	333.43	0.63	-53.20
COCC(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067031	0	39	-1.0	-51.26	329.12	-0.59	-51.85
C=CCOCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067032	0	37	-1.0	-59.50	325.38	1.44	-58.06
O=C(NCC1CCN1C(=O)C1=COC=N1)C1=CC(=O)[N-]O1	REAL250005067033	0	32	-1.0	-54.64	288.81	-2.20	-56.84
CC(C#N)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067034	0	33	-1.0	-59.58	295.75	-0.08	-59.66
CCCC(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067035	0	41	-1.0	-52.03	335.91	1.70	-50.33
O=C(CCC1CC1)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067036	0	39	-1.0	-52.11	332.14	2.20	-49.91
O=C(NCC1CCN1C(=O)C1CC=CC1)C1=CC(=O)[N-]O1	REAL250005067037	0	37	-1.0	-51.61	314.64	1.63	-49.98
O=C(CC1CCC1)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067038	0	39	-1.0	-54.65	325.29	2.58	-52.07
CC(C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005067039	0	39	-1.0	-56.35	324.11	2.91	-53.44
CC=C(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067040	0	36	-1.0	-56.17	300.86	1.45	-54.72
CC1CC(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067041	0	39	-1.0	-54.73	324.40	2.46	-52.27
O=C(C=C1CCC1)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067042	0	37	-1.0	-55.36	315.56	2.61	-52.75
CC(C)=C(F)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067043	0	36	-1.0	-50.43	308.34	1.81	-48.62
O=C(NCC1CCN1C(=O)C1=CCCC1)C1=CC(=O)[N-]O1	REAL250005067044	0	37	-1.0	-56.24	306.09	2.37	-53.87
CC1(C)CC1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067045	0	39	-1.0	-51.26	326.50	1.86	-49.40
CC1(C)C[C@@H]1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067046	0	39	-1.0	-51.21	326.46	1.85	-49.36
O=C(NCC1CCN1C(=O)[C@@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005067047	0	37	-1.0	-56.40	312.52	0.25	-56.15
CCC(C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067048	0	41	-1.0	-51.42	335.85	1.88	-49.54
C#CCCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067049	0	37	-1.0	-57.79	326.68	2.66	-55.13
CC(C)(O)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067050	0	39	-1.0	-58.36	324.89	-0.36	-58.72
CC(C)[C@@H](O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067051	0	39	-1.0	-54.90	321.20	-0.19	-55.09
CCC(C)=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067052	0	39	-1.0	-53.59	327.45	2.67	-50.92
CC(C)C#CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067053	0	37	-1.0	-56.44	326.36	2.66	-53.78
O=C(C#CC1CC1)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067054	0	35	-1.0	-56.74	315.54	2.82	-53.92
CCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067055	0	32	-1.0	-54.53	277.90	0.59	-53.94
COCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067056	0	36	-1.0	-53.80	311.57	-0.34	-54.14
O=C(NCC1CCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005067057	0	33	-1.0	-54.02	287.90	1.29	-52.73
O=C(NCC1CCN1C(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005067058	0	36	-1.0	-54.94	304.60	1.88	-53.06
O=C(NCC1CCN1C(=O)C1CCCC1)C1=CC(=O)[N-]O1	REAL250005067059	0	39	-1.0	-51.97	321.60	1.67	-50.30
C=CCCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067060	0	39	-1.0	-52.25	335.20	1.98	-50.27
CCC(C)(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067061	0	41	-1.0	-55.63	323.90	1.83	-53.80
NC(=O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067062	0	30	-1.0	-50.70	269.72	-4.13	-54.83
CC1CC1CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067063	0	39	-1.0	-52.21	329.69	2.05	-50.16
CCC1(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067064	0	39	-1.0	-55.63	330.54	2.35	-53.28
CC(C)(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067065	0	38	-1.0	-55.19	309.28	1.33	-53.86
C=C(C)CCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067066	0	39	-1.0	-54.34	333.82	2.58	-51.76
O=C(NCC1CCN1C(=O)C1(CF)CC1)C1=CC(=O)[N-]O1	REAL250005067067	0	36	-1.0	-60.08	312.42	2.23	-57.85
CC(C)C(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067068	0	41	-1.0	-54.51	328.66	2.21	-52.30
CC[C@@H]1C[C@H]1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067069	0	39	-1.0	-52.10	332.63	2.07	-50.03
O=C(NCC1CCN1C(=O)C1CC12CC2)C1=CC(=O)[N-]O1	REAL250005067070	0	37	-1.0	-55.62	320.87	2.81	-52.81
O=C(NCC1CCN1C(=O)[C@H]1CCCO1)C1=CC(=O)[N-]O1	REAL250005067071	0	37	-1.0	-60.17	312.48	1.06	-59.11
CC1(CC(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067072	0	39	-1.0	-51.31	330.45	1.91	-49.40
CC1(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067073	0	36	-1.0	-54.57	303.66	1.60	-52.97
O=C(NCC1CCN1C(=O)C1=CNC=C1)C1=CC(=O)[N-]O1	REAL250005067074	0	34	-1.0	-62.92	295.56	0.46	-62.46
O=C(NCC1CCN1C(=O)C1=CN=CO1)C1=CC(=O)[N-]O1	REAL250005067075	0	32	-1.0	-56.69	288.99	-2.41	-59.10
C=CC(C)(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067076	0	39	-1.0	-56.02	315.10	2.00	-54.02
C[C@@H]1C[C@H]1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067077	0	36	-1.0	-55.08	309.79	2.03	-53.05
CC1(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005067078	0	39	-1.0	-55.88	318.82	2.12	-53.76
CCC(F)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067079	0	35	-1.0	-55.52	304.49	1.34	-54.18
O=C(CCCF)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067080	0	35	-1.0	-54.68	307.48	0.78	-53.90
C[C@H]1C[C@@H]1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067081	0	36	-1.0	-51.79	310.97	1.31	-50.48
CC(C)C(F)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067082	0	38	-1.0	-56.56	323.42	1.84	-54.72
O=C(NCC1CCN1C(=O)C1=NNN=C1)C1=CC(=O)[N-]O1	REAL250005067083	0	32	-1.0	-53.48	287.46	-2.04	-55.52
O=C(CO)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067084	0	30	-1.0	-59.90	266.99	-2.38	-62.28
NC(=O)C=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067085	0	34	-1.0	-54.51	306.73	-2.75	-57.26
COC(=O)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067086	0	35	-1.0	-64.49	309.85	1.50	-62.99
CSC=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067087	0	34	-1.0	-53.21	312.21	1.53	-51.68
NC(=O)CCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067088	0	36	-1.0	-53.82	315.58	-2.58	-56.40
O=C(NCC1CCN1C(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005067089	0	34	-1.0	-61.24	295.94	0.17	-61.07
O=C(NCC1CCN1C(=O)C1(Cl)CC1)C1=CC(=O)[N-]O1	REAL250005067090	0	33	-1.0	-48.43	301.78	0.90	-47.53
O=C(NCC1CCN1C(=O)C1=CCCO1)C1=CC(=O)[N-]O1	REAL250005067091	0	35	-1.0	-50.76	305.22	-0.23	-50.99
O=C(NCC1CCN1C(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005067092	0	34	-1.0	-54.38	294.70	-0.99	-55.37
O=C(C=CCO)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067093	0	34	-1.0	-58.92	301.43	-2.15	-61.07
CC=CC(O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067094	0	37	-1.0	-52.13	321.88	-1.01	-53.14
C[C@@H](C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005067095	0	41	0.0	-69.09	332.63	1.04	-68.05
C[C@@H](C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005067095	1	40	-1.0	-54.91	321.52	-0.96	-55.87
CCC=C(F)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067096	0	36	-1.0	-50.87	313.48	1.89	-48.98
CCC=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067097	0	36	-1.0	-54.59	311.41	1.97	-52.62
[N-]=[N+]=NCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067098	0	34	-1.0	-52.76	308.04	-2.80	-55.56
C#CCOCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067099	0	35	-1.0	-58.57	319.75	0.71	-57.86
CC(O)CCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067100	0	39	-1.0	-53.67	331.21	-1.15	-54.82
C#CCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067101	0	34	-1.0	-54.55	305.18	1.87	-52.68
CC=CC=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067102	0	37	-1.0	-54.94	325.46	2.66	-52.28
COCC=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067103	0	37	-1.0	-57.56	323.68	0.25	-57.31
CCC(C)(O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067104	0	39	-1.0	-49.76	323.64	-1.96	-51.72
C#CCC(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067105	0	37	-1.0	-51.59	321.89	1.48	-50.11
C=CC(O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067106	0	34	-1.0	-52.52	298.66	-1.67	-54.19
O=C(NCC1CCN1C(=O)C12CC1CC2)C1=CC(=O)[N-]O1	REAL250005067107	0	37	-1.0	-52.80	318.29	1.83	-50.97
C=C[C@H](C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067108	0	39	-1.0	-51.11	330.40	1.76	-49.35
O=C(C=CC1CC1)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067109	0	37	-1.0	-55.01	321.89	2.79	-52.22
CCC(C#N)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067110	0	36	-1.0	-54.24	315.41	1.37	-52.87
O=C(NCC1CCN1C(=O)C1C2CCC21)C1=CC(=O)[N-]O1	REAL250005067111	0	37	-1.0	-52.06	316.90	1.99	-50.07
C=C1CCC1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067112	0	37	-1.0	-54.34	317.02	2.31	-52.03
C[C@H]1C(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005067113	0	39	-1.0	-52.14	327.29	1.83	-50.31
CC[N@H+](C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067114	0	41	0.0	-70.95	332.35	1.28	-69.67
CC[N@@H+](C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067114	1	41	0.0	-70.77	332.34	1.27	-69.50
CCN(C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067114	1	40	-1.0	-55.29	329.37	-0.30	-55.59
CC(O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067115	0	33	-1.0	-53.02	287.66	-2.45	-55.47
CC(=O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067116	0	31	-1.0	-50.16	277.13	-0.33	-50.49
N#CCCCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067117	0	36	-1.0	-63.82	320.25	1.87	-61.95
N#CC1(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067118	0	34	-1.0	-49.44	307.20	0.64	-48.80
C=C1CC(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067119	0	37	-1.0	-54.68	318.18	2.39	-52.29
O=C(NCC1CCN1C(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005067120	0	33	-1.0	-48.72	294.43	0.60	-48.12
COC(C)(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067121	0	39	-1.0	-60.91	312.09	0.78	-60.13
CC(CC#N)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067122	0	36	-1.0	-51.65	315.46	0.66	-50.99
CCC1CC1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067123	0	39	-1.0	-51.03	326.87	2.09	-48.94
C=CC(C)(O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067124	0	37	-1.0	-50.17	317.20	-1.88	-52.05
CCCC=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067125	0	39	-1.0	-54.54	332.91	2.75	-51.79
CC=C(F)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067126	0	33	-1.0	-51.05	293.18	1.15	-49.90
C[C@H](C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005067127	0	41	0.0	-67.11	331.82	1.64	-65.47
C[C@H](C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005067127	1	40	-1.0	-54.98	319.66	-0.97	-55.95
CCOC=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067128	0	37	-1.0	-52.75	323.24	0.84	-51.91
CC(=O)OCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067129	0	35	-1.0	-54.54	315.47	0.81	-53.73
CC(=O)C=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067130	0	35	-1.0	-53.31	313.60	1.10	-52.21
O=C(COC1CC1)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067131	0	37	-1.0	-59.49	322.33	1.57	-57.92
O=C(NCC1CCN1C(=O)C1=NC=CN1)C1=CC(=O)[N-]O1	REAL250005067132	0	33	-1.0	-53.90	292.86	-0.23	-54.13
CC(CO)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067133	0	36	-1.0	-51.52	306.87	-2.99	-54.51
O=C(NCC1CCN1C(=O)C1=CON=C1)C1=CC(=O)[N-]O1	REAL250005067134	0	32	-1.0	-59.18	285.44	0.07	-59.11
O=C(CCCCO)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067135	0	39	-1.0	-52.81	333.81	-1.92	-54.73
O=C(NCC1CCN1C(=O)C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005067136	0	35	-1.0	-48.67	310.37	0.51	-48.16
O=C(CC1(O)CC1)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067137	0	37	-1.0	-55.84	321.90	-1.54	-57.38
O=C(NCC1CCN1C(=O)C1CCC1F)C1=CC(=O)[N-]O1	REAL250005067138	0	36	-1.0	-56.45	310.00	1.23	-55.22
O=C(NCC1CCN1C(=O)[C@@H]1C[C@H]1CF)C1=CC(=O)[N-]O1	REAL250005067139	0	36	-1.0	-53.95	317.89	1.44	-52.51
CCC(CO)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067140	0	39	-1.0	-54.96	320.24	-1.04	-56.00
N#C[C@H]1C[C@H]1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067141	0	34	-1.0	-63.78	306.57	0.95	-62.83
O=C(NCC1CCN1C(=O)C1=COCC1)C1=CC(=O)[N-]O1	REAL250005067142	0	35	-1.0	-55.67	299.32	0.11	-55.56
O=C(NCC1CCN1C(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005067143	0	34	-1.0	-55.89	292.48	-1.71	-57.60
O=C(NCC1CCN1C(=O)C1=CCC1)C1=CC(=O)[N-]O1	REAL250005067144	0	34	-1.0	-55.76	295.55	1.72	-54.04
CC(CF)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067145	0	35	-1.0	-50.34	302.09	0.42	-49.92
CC(Cl)=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067146	0	33	-1.0	-56.76	302.21	1.72	-55.04
CC=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067147	0	33	-1.0	-54.65	290.32	1.21	-53.44
CC1(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005067148	0	36	-1.0	-57.78	309.87	1.67	-56.11
O=C(C=CCF)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067149	0	33	-1.0	-57.09	296.51	1.33	-55.76
O=C(NCC1CCN1C(=O)C1(CO)CC1)C1=CC(=O)[N-]O1	REAL250005067150	0	37	-1.0	-60.15	317.09	-1.27	-61.42
O=C(NCC1CCN1C(=O)C1=CC=NO1)C1=CC(=O)[N-]O1	REAL250005067151	0	32	-1.0	-52.46	288.77	0.24	-52.22
C[C@H](O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067153	0	33	-1.0	-57.14	286.67	-2.45	-59.59
CON=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067154	0	33	-1.0	-58.35	298.85	-0.84	-59.19
CC(C)[C@H](O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067155	0	39	-1.0	-52.05	324.40	-0.90	-52.95
C#CC1(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067156	0	35	-1.0	-50.91	313.61	1.50	-49.41
C=CC=CCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067157	0	37	-1.0	-55.76	326.06	2.56	-53.20
C#C[C@H]1C[C@H]1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067158	0	35	-1.0	-55.15	312.43	1.81	-53.34
CC=C(CC)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067159	0	39	-1.0	-52.67	320.26	1.32	-51.35
COC(F)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067160	0	33	-1.0	-55.93	297.00	-1.37	-57.30
COCC(O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067161	0	37	-1.0	-56.35	319.43	-2.49	-58.84
N#C[C@@H]1C[C@H]1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067162	0	34	-1.0	-52.57	310.91	1.06	-51.51
O=C(NCC1CCN1C(=O)[C@H]1C[C@@H](O)C1)C1=CC(=O)[N-]O1	REAL250005067163	0	37	-1.0	-59.15	315.59	-1.59	-60.74
O=C(COCCO)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067164	0	37	-1.0	-59.35	325.34	-2.94	-62.29
CC(C)(CF)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067165	0	38	-1.0	-53.46	314.47	1.44	-52.02
CC(C)(CO)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067166	0	39	-1.0	-54.50	318.91	-1.86	-56.36
C=CCC(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067167	0	39	-1.0	-51.65	328.91	1.53	-50.12
C[C@@H]1C[C@H]1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067168	0	36	-1.0	-55.08	309.79	2.03	-53.05
CC(C)(O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067169	0	36	-1.0	-49.76	307.01	-2.61	-52.37
O=C(NCC1CCN1C(=O)C1=NOCC1)C1=CC(=O)[N-]O1	REAL250005067170	0	34	-1.0	-49.53	301.31	-1.26	-50.79
CC(C#N)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067171	0	36	-1.0	-51.19	316.94	0.91	-50.28
CC(CCO)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067172	0	39	-1.0	-56.18	325.83	-2.42	-58.60
O=C(NCC1CCN1C(=O)[C@H](O)CF)C1=CC(=O)[N-]O1	REAL250005067173	0	33	-1.0	-52.45	291.65	-2.33	-54.78
O=C(NCC1CCN1C(=O)C1(O)CCC1)C1=CC(=O)[N-]O1	REAL250005067174	0	37	-1.0	-55.07	309.42	-1.23	-56.30
O=C(NCC1CCN1C(=O)C(O)C1CC1)C1=CC(=O)[N-]O1	REAL250005067175	0	37	-1.0	-54.82	314.46	0.05	-54.77
C=C(C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067176	0	36	-1.0	-54.37	312.46	1.79	-52.58
CC(C)(C#N)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067177	0	36	-1.0	-65.99	305.42	1.24	-64.75
CCSCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067178	0	36	-1.0	-54.65	323.92	1.20	-53.45
CC(C)=C(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067179	0	39	-1.0	-54.91	316.19	2.17	-52.74
CNC(=O)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067180	0	36	-1.0	-69.17	313.99	-0.44	-69.61
O=C(NCC1CCN1C(=O)C1CC(F)C1)C1=CC(=O)[N-]O1	REAL250005067181	0	36	-1.0	-54.26	312.38	1.25	-53.01
C=CCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067182	0	33	-1.0	-54.82	290.81	1.13	-53.69
C[NH+](C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067183	0	38	0.0	-67.58	313.49	1.30	-66.28
CN(C)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067183	1	37	-1.0	-55.22	311.41	-1.08	-56.30
N#CCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067184	0	30	-1.0	-65.14	275.98	0.30	-64.84
O=C(NCC1CCN1C(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005067185	0	33	-1.0	-49.53	296.33	0.73	-48.80
C[C@@H](C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005067186	0	41	0.0	-69.09	332.63	1.04	-68.05
C[C@@H](C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005067186	1	40	-1.0	-54.91	321.52	-0.96	-55.87
O=C(CCF)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067187	0	32	-1.0	-53.02	284.49	0.74	-52.28
O=C(NCC1CCN1C(=O)C1C=CCC1)C1=CC(=O)[N-]O1	REAL250005067188	0	37	-1.0	-54.52	309.79	2.24	-52.28
C#CC(C)(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067189	0	37	-1.0	-59.04	311.85	2.12	-56.92
CO[C@H](C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067190	0	36	-1.0	-59.21	306.30	0.46	-58.75
CC(=O)CCC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067191	0	37	-1.0	-52.70	322.60	1.27	-51.43
C[C@@H](O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067192	0	33	-1.0	-52.69	288.05	-2.40	-55.09
O=C(CN1CCC1)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067193	0	38	-1.0	-53.55	320.70	-2.23	-55.78
O=C(C[NH+]1CCC1)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067193	1	39	0.0	-68.10	323.78	1.79	-66.31
CC(O)C(C)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067194	0	39	-1.0	-58.96	322.13	-0.62	-59.58
C=C1CC1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067195	0	34	-1.0	-52.01	303.49	1.21	-50.80
COC(OC)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067196	0	37	-1.0	-54.45	313.45	-1.17	-55.62
CC1(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005067197	0	37	-1.0	-52.49	312.92	-1.26	-53.75
O=C(NCC1CCN1C(=O)C1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005067198	0	34	-1.0	-63.21	302.84	-2.73	-65.94
O=C(NCC1CCN1C(=O)[C@@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005067199	0	34	-1.0	-62.93	302.85	-2.73	-65.66
CCC[C@H](O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067200	0	39	-1.0	-51.95	328.54	-0.83	-52.78
O=C(NCC1CCN1C(=O)C1(F)CCC1)C1=CC(=O)[N-]O1	REAL250005067201	0	36	-1.0	-52.53	310.66	1.87	-50.66
O=C(NCC1CCN1C(=O)C1=CNC=N1)C1=CC(=O)[N-]O1	REAL250005067202	0	33	-1.0	-56.53	292.65	0.60	-55.93
O=C(NCC1CCN1C(=O)C1=CN=CN1)C1=CC(=O)[N-]O1	REAL250005067202	1	33	-1.0	-56.74	292.22	-0.28	-57.02
O=C(NCC1CCN1C(=O)C1CC(=O)C1)C1=CC(=O)[N-]O1	REAL250005067203	0	35	-1.0	-56.07	307.32	0.96	-55.11
O=C(NCC1CCN1C(=O)C1(O)COC1)C1=CC(=O)[N-]O1	REAL250005067204	0	35	-1.0	-53.44	301.89	-3.55	-56.99
CC(C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005067205	0	37	-1.0	-53.23	317.08	1.69	-51.54
CC1=CC1C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067206	0	34	-1.0	-54.92	303.41	2.08	-52.84
CN(C)C(=O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067207	0	36	-1.0	-50.26	306.78	-0.65	-50.91
CCCC(O)C(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067208	0	39	-1.0	-55.19	328.06	-0.19	-55.38
CCC(O)CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067209	0	39	-1.0	-55.63	331.56	-1.00	-56.63
O=C(CCCCF)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067210	0	38	-1.0	-51.91	328.98	1.56	-50.35
O=C(NCC1CCN1C(=O)[C@H]1CC(=O)N1)C1=CC(=O)[N-]O1	REAL250005067211	0	34	-1.0	-59.43	303.96	-3.44	-62.87
COC1(C(=O)N2CCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067212	0	37	-1.0	-53.48	319.41	0.33	-53.15
O=C(NCC1CCN1C(=O)C1CSC1)C1=CC(=O)[N-]O1	REAL250005067213	0	34	-1.0	-56.71	304.85	0.73	-55.98
C=CC(=O)N1CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067214	0	30	-1.0	-54.59	268.22	0.34	-54.25
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CC(=O)N1	REAL250005067215	0	34	-1.0	-54.89	299.43	-3.13	-58.02
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1CC(F)C1	REAL250005067216	0	36	-1.0	-50.62	308.32	1.88	-48.74
O=C(NCC1CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=NO1	REAL250005067217	0	32	-1.0	-51.80	288.69	0.22	-51.58
CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067218	0	32	-1.0	-47.43	282.03	-0.48	-47.91
COCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067219	0	36	-1.0	-47.62	316.35	-1.38	-49.00
O=C(NC1(CNC(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067220	0	33	-1.0	-50.34	292.59	-0.24	-50.58
O=C(NC1(CNC(=O)C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067221	0	36	-1.0	-50.29	308.80	0.27	-50.02
O=C(NC1(CNC(=O)C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067222	0	39	-1.0	-49.95	326.36	0.87	-49.08
O=C(CC1CC1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067223	0	36	-1.0	-50.35	313.85	0.51	-49.84
CC(C)(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067224	0	35	-1.0	-44.94	309.50	0.20	-44.74
CC(F)(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067225	0	32	-1.0	-45.27	293.88	-0.30	-45.57
COCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067226	0	33	-1.0	-50.18	295.40	-1.09	-51.27
CCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067227	0	35	-1.0	-47.30	304.18	0.32	-46.98
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CO1	REAL250005067228	0	33	-1.0	-50.39	302.51	-0.72	-51.11
CC(=O)NCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067229	0	36	-1.0	-50.71	321.36	-2.78	-53.49
CC(C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067230	0	38	-1.0	-46.88	320.90	0.90	-45.98
CC1CC1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067231	0	36	-1.0	-46.56	314.41	1.03	-45.53
CCOCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067232	0	36	-1.0	-50.20	317.26	-0.13	-50.33
CC(C)=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067233	0	36	-1.0	-47.63	312.70	0.78	-46.85
O=C(NC1(CNC(=O)C2CCCO2)CC1)C1=CC(=O)[N-]O1	REAL250005067234	0	37	-1.0	-53.79	318.98	-0.42	-54.21
CSCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067235	0	33	-1.0	-49.14	305.74	-0.02	-49.16
CSCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067236	0	36	-1.0	-47.28	327.41	0.79	-46.49
CC(C)CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067237	0	41	-1.0	-47.19	343.25	1.60	-45.59
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN1	REAL250005067238	0	34	-1.0	-52.84	304.57	-0.92	-53.76
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=COC=C1	REAL250005067239	0	33	-1.0	-53.34	298.52	-0.79	-54.13
CCCCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067240	0	41	-1.0	-47.23	347.17	1.88	-45.35
CC(C)(C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067241	0	41	-1.0	-46.21	335.87	1.43	-44.78
CCCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067242	0	38	-1.0	-47.32	325.68	1.10	-46.22
CC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067243	0	35	-1.0	-47.20	302.23	0.22	-46.98
CCC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067244	0	38	-1.0	-47.18	320.35	0.87	-46.31
CCC(CC)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067245	0	41	-1.0	-50.47	334.81	0.80	-49.67
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NN1	REAL250005067246	0	33	-1.0	-51.23	299.97	-2.25	-53.48
CSC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067247	0	36	-1.0	-48.32	324.29	0.53	-47.79
CCOC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067248	0	39	-1.0	-50.09	337.04	0.57	-49.52
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CNN=C1	REAL250005067249	0	33	-1.0	-51.70	297.24	-2.32	-54.02
COCCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067250	0	39	-1.0	-49.39	337.85	-0.61	-50.00
O=C(NC1(CNC(=O)C2=NOC=C2)CC1)C1=CC(=O)[N-]O1	REAL250005067251	0	32	-1.0	-50.87	296.16	-1.45	-52.32
CCC=C(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067252	0	39	-1.0	-49.91	330.77	1.04	-48.87
COC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067253	0	36	-1.0	-50.12	315.19	-0.37	-50.49
CC(C)OCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067254	0	39	-1.0	-50.17	337.53	0.60	-49.57
CCCOCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067255	0	39	-1.0	-49.97	338.75	0.67	-49.30
O=C(NC1(CNC(=O)C2CCOC2)CC1)C1=CC(=O)[N-]O1	REAL250005067256	0	37	-1.0	-50.48	316.00	-1.74	-52.22
CCC(OC)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067257	0	39	-1.0	-52.23	334.17	-0.18	-52.41
COC(C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067258	0	39	-1.0	-47.66	335.49	0.15	-47.51
C=CCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067259	0	36	-1.0	-47.46	316.99	0.88	-46.58
CCOCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067260	0	39	-1.0	-47.57	338.21	-0.41	-47.98
COCC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067261	0	39	-1.0	-47.55	335.07	-0.67	-48.22
C=CCOCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067262	0	37	-1.0	-50.53	330.16	0.45	-50.08
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=COC=N1	REAL250005067263	0	32	-1.0	-50.89	296.47	-4.10	-54.99
CCCC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067264	0	41	-1.0	-47.22	341.85	1.62	-45.60
O=C(CCC1CC1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067265	0	39	-1.0	-50.46	335.67	1.32	-49.14
O=C(NC1(CNC(=O)C2CC=CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067266	0	37	-1.0	-49.82	318.43	0.74	-49.08
O=C(CC1CCC1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067267	0	39	-1.0	-47.31	329.95	1.58	-45.73
CC(C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005067268	0	39	-1.0	-49.82	331.55	1.16	-48.66
CC=C(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067269	0	36	-1.0	-51.10	310.36	0.27	-50.83
CC1CC(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005067270	0	39	-1.0	-49.47	327.40	0.87	-48.60
O=C(C=C1CCC1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067271	0	37	-1.0	-50.33	322.05	0.97	-49.36
CC(C)=C(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067272	0	36	-1.0	-46.55	317.26	0.84	-45.71
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCC1	REAL250005067273	0	37	-1.0	-50.34	319.18	0.86	-49.48
CC1(C)CC1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067274	0	39	-1.0	-46.81	329.16	1.51	-45.30
CC1(C)C[C@@H]1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067275	0	39	-1.0	-46.80	329.16	1.51	-45.29
O=C(NC1(CNC(=O)[C@@H]2CCCO2)CC1)C1=CC(=O)[N-]O1	REAL250005067276	0	37	-1.0	-54.29	318.80	-0.50	-54.79
CCC(C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067277	0	41	-1.0	-46.92	339.14	1.57	-45.35
C#CCCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067278	0	37	-1.0	-49.52	331.46	1.62	-47.90
CC(C)(O)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067279	0	39	-1.0	-49.37	329.02	-1.38	-50.75
CC(C)[C@@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067280	0	39	-1.0	-51.87	327.52	-1.11	-52.98
CCC(C)=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067281	0	39	-1.0	-47.41	334.17	1.52	-45.89
CC(C)C#CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067282	0	37	-1.0	-50.34	331.96	1.01	-49.33
O=C(C#CC1CC1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067283	0	35	-1.0	-48.90	321.10	1.71	-47.19
C=C(C)CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067284	0	39	-1.0	-47.37	338.60	1.54	-45.83
CC1(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005067285	0	36	-1.0	-50.43	314.82	0.25	-50.18
O=C(NC1(CNC(=O)[C@H]2CCCO2)CC1)C1=CC(=O)[N-]O1	REAL250005067286	0	37	-1.0	-54.88	319.00	-0.51	-55.39
O=C(NC1(CNC(=O)C2=NNN=C2)CC1)C1=CC(=O)[N-]O1	REAL250005067287	0	32	-1.0	-49.53	295.67	-3.69	-53.22
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=NN1	REAL250005067287	1	32	-1.0	-50.55	294.08	-3.61	-54.16
CC1(CC(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005067288	0	39	-1.0	-49.87	334.05	0.99	-48.88
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CO1	REAL250005067289	0	32	-1.0	-50.69	297.31	-4.03	-54.72
C=CC(C)(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067290	0	39	-1.0	-47.80	329.87	1.18	-46.62
C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067291	0	36	-1.0	-47.86	312.93	0.96	-46.90
CC1(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005067292	0	39	-1.0	-50.40	325.99	0.80	-49.60
CCC(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067293	0	35	-1.0	-49.34	310.34	-0.21	-49.55
O=C(CCCF)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067294	0	35	-1.0	-49.07	310.77	0.46	-48.61
C[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067295	0	36	-1.0	-47.48	314.58	0.99	-46.49
CC(C)C(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067296	0	38	-1.0	-52.60	328.26	0.28	-52.32
C=CCCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067297	0	39	-1.0	-47.48	338.49	1.66	-45.82
CCC(C)(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067298	0	41	-1.0	-47.30	335.34	1.28	-46.02
NC(=O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067299	0	30	-1.0	-48.70	278.03	-5.11	-53.81
CC1CC1CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067300	0	39	-1.0	-50.70	334.88	1.20	-49.50
CCC1(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005067301	0	39	-1.0	-51.67	336.17	0.91	-50.76
O=C(NC1(CNC(=O)C2(CF)CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067302	0	36	-1.0	-50.10	316.13	0.46	-49.64
CC(C)(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067303	0	38	-1.0	-47.09	320.47	0.76	-46.33
CC(C)C(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067304	0	41	-1.0	-46.76	336.25	1.42	-45.34
CC[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067305	0	39	-1.0	-47.86	334.32	1.73	-46.13
O=C(NC1(CNC(=O)C2CC23CC3)CC1)C1=CC(=O)[N-]O1	REAL250005067306	0	37	-1.0	-48.63	324.92	1.75	-46.88
O=C(NC1(CNC(=O)[C@@H]2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL250005067307	0	34	-1.0	-52.80	306.96	-4.15	-56.95
O=C(NC1(CNC(=O)[C@H]2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL250005067308	0	34	-1.0	-57.76	307.50	-4.34	-62.10
COC1(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005067309	0	37	-1.0	-49.43	325.67	-1.50	-50.93
O=C(NC1(CNC(=O)C2CSC2)CC1)C1=CC(=O)[N-]O1	REAL250005067310	0	34	-1.0	-49.64	309.19	-0.08	-49.72
C=CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067311	0	33	-1.0	-47.80	295.59	0.09	-47.71
C[NH+](C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067312	0	38	0.0	-61.80	318.27	0.27	-61.53
CN(C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067312	1	37	-1.0	-47.95	316.18	-2.12	-50.07
C=CC(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067313	0	34	-1.0	-49.86	303.93	-2.42	-52.28
O=C(NC1(CNC(=O)C2COC2)CC1)C1=CC(=O)[N-]O1	REAL250005067314	0	34	-1.0	-47.57	299.40	-1.97	-49.54
CO[C@H](C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067315	0	36	-1.0	-53.11	314.58	-0.93	-54.04
CC=CC(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067316	0	37	-1.0	-46.94	325.74	-1.00	-47.94
C[C@@H](C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005067317	0	41	0.0	-68.44	335.94	0.09	-68.35
C[C@@H](C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005067317	1	40	-1.0	-50.40	328.03	-2.23	-52.63
CCC=C(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067318	0	36	-1.0	-46.76	321.52	0.95	-45.81
CCC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067319	0	36	-1.0	-47.71	317.34	0.91	-46.80
CC(C)(CO)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067321	0	39	-1.0	-47.68	330.46	-2.42	-50.10
O=C(NC1(CNC(=O)C2(F)CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067322	0	36	-1.0	-50.18	315.42	0.28	-49.90
O=C(CO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067323	0	30	-1.0	-51.60	273.15	-3.37	-54.97
NC(=O)C=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067324	0	34	-1.0	-51.75	312.64	-3.81	-55.56
CC(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067325	0	33	-1.0	-48.94	293.48	-2.58	-51.52
O=C(NC1(CNC(=O)C2(O)CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067326	0	37	-1.0	-49.99	317.41	-2.92	-52.91
O=C(NC1(CNC(=O)C(O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067327	0	37	-1.0	-50.75	325.55	-1.62	-52.37
C=CCC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067328	0	39	-1.0	-47.33	333.63	1.41	-45.92
O=C(NC1(CNC(=O)C2CC2F)CC1)C1=CC(=O)[N-]O1	REAL250005067329	0	33	-1.0	-45.13	299.82	0.45	-44.68
C[C@@H](C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005067330	0	41	0.0	-68.44	335.94	0.09	-68.35
C[C@@H](C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005067330	1	40	-1.0	-50.40	328.03	-2.23	-52.63
O=C(CCF)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067331	0	32	-1.0	-46.78	289.27	-0.31	-47.09
O=C(NC1(CNC(=O)C2(O)COC2)CC1)C1=CC(=O)[N-]O1	REAL250005067332	0	35	-1.0	-50.47	308.18	-5.18	-55.65
CC(C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)=C1CC1	REAL250005067333	0	37	-1.0	-51.46	324.82	1.22	-50.24
CCC1CC1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067334	0	39	-1.0	-46.06	330.34	1.81	-44.25
O=C(CC1(O)CC1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067335	0	37	-1.0	-53.57	324.08	-3.01	-56.58
O=C(C=CCF)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067336	0	33	-1.0	-49.56	302.44	0.27	-49.29
C#CCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067337	0	34	-1.0	-47.74	309.96	0.83	-46.91
O=C(CN1CCC1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067338	0	38	-1.0	-47.83	323.12	-2.45	-50.28
C#C[C@H]1C[C@H]1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067339	0	35	-1.0	-53.13	315.96	0.93	-52.20
O=C(NC1(CNC(=O)C2C3CCC32)CC1)C1=CC(=O)[N-]O1	REAL250005067340	0	37	-1.0	-50.15	320.44	1.11	-49.04
C=C1CCC1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067341	0	37	-1.0	-49.73	322.32	0.77	-48.96
C[C@H]1C(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)[C@H]1C	REAL250005067342	0	39	-1.0	-50.01	330.75	1.05	-48.96
C[C@H](C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005067343	0	41	0.0	-69.16	335.48	0.12	-69.04
C[C@H](C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005067343	1	40	-1.0	-47.65	326.95	-1.70	-49.35
CC=CC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067344	0	37	-1.0	-48.01	331.42	1.60	-46.41
COCC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067345	0	37	-1.0	-49.70	329.61	-0.81	-50.51
CC1(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)COC1	REAL250005067346	0	37	-1.0	-50.34	317.76	-1.90	-52.24
O=C(NC1(CNC(=O)C2CCO2)CC1)C1=CC(=O)[N-]O1	REAL250005067347	0	34	-1.0	-52.98	301.16	-1.51	-54.49
[N-]=[N+]=NCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067348	0	34	-1.0	-46.95	312.82	-3.84	-50.79
C#CCOCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067349	0	35	-1.0	-52.64	323.04	0.41	-52.23
CC(C)(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067350	0	36	-1.0	-45.99	313.16	-3.03	-49.02
CC1=CC1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067351	0	34	-1.0	-51.35	308.29	0.45	-50.90
CN(C)C(=O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067352	0	36	-1.0	-49.00	315.42	-1.74	-50.74
CSC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067353	0	34	-1.0	-47.98	318.30	0.46	-47.52
CCC(C)(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067354	0	39	-1.0	-47.41	329.78	-2.36	-49.77
CC[N@H+](C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067355	0	41	0.0	-62.66	335.36	0.90	-61.76
CC[N@@H+](C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067355	1	41	0.0	-62.58	335.36	0.90	-61.68
CCN(C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067355	1	40	-1.0	-47.58	334.15	-1.33	-48.91
C=C1CC(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005067356	0	37	-1.0	-46.09	322.80	1.37	-44.72
O=C(NC1(CNC(=O)C2CCC2F)CC1)C1=CC(=O)[N-]O1	REAL250005067357	0	36	-1.0	-52.76	315.08	0.31	-52.45
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CN1	REAL250005067358	0	33	-1.0	-54.74	300.08	-1.19	-55.93
O=C(NC1(CNC(=O)C2(Cl)CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067359	0	33	-1.0	-48.41	308.83	0.28	-48.13
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCO1	REAL250005067360	0	35	-1.0	-48.84	311.00	-1.14	-49.98
CCC[C@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067361	0	39	-1.0	-51.72	335.54	-1.55	-53.27
CC(C)[C@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067362	0	39	-1.0	-49.88	326.84	-1.27	-51.15
CCOC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067363	0	37	-1.0	-48.66	329.32	-0.22	-48.88
C[C@@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067364	0	33	-1.0	-51.51	292.86	-3.14	-54.65
O=C(CCCCF)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067365	0	38	-1.0	-47.83	332.27	1.24	-46.59
O=C(C=CCO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067366	0	34	-1.0	-50.91	307.36	-3.21	-54.12
COC(C)(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067367	0	39	-1.0	-50.17	327.13	0.10	-50.07
O=C(CCCCO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067368	0	39	-1.0	-49.00	337.10	-2.24	-51.24
O=C(NC1(CNC(=O)C2(CO)CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067369	0	37	-1.0	-52.46	326.53	-3.00	-55.46
COC(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067370	0	33	-1.0	-53.34	301.18	-2.18	-55.52
O=C(NC1(CNC(=O)C23CC2CC3)CC1)C1=CC(=O)[N-]O1	REAL250005067371	0	37	-1.0	-52.00	320.75	0.93	-51.07
C=C[C@H](C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067372	0	39	-1.0	-45.66	333.53	1.48	-44.18
O=C(C=CC1CC1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067373	0	37	-1.0	-50.26	328.11	1.16	-49.10
CC=C(CC)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067374	0	39	-1.0	-49.71	326.00	1.18	-48.53
C=CC(C)(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067375	0	37	-1.0	-47.74	323.34	-2.29	-50.03
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CCC1	REAL250005067376	0	34	-1.0	-47.44	302.99	0.86	-46.58
CON=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067377	0	33	-1.0	-49.92	305.14	-1.89	-51.81
O=C(NC1(CNC(=O)C2(F)CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067378	0	33	-1.0	-48.73	299.45	-0.20	-48.93
O=C(COCCO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067379	0	37	-1.0	-52.85	328.63	-3.26	-56.11
CC(C)(CF)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067380	0	38	-1.0	-46.16	326.11	0.87	-45.29
O=C(NC1(CNC(=O)C2=NOCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067381	0	34	-1.0	-48.52	306.09	-1.63	-50.15
COCC(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067382	0	37	-1.0	-49.87	326.74	-3.85	-53.72
C#CC(C)(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067383	0	37	-1.0	-49.46	326.93	1.23	-48.23
O=C(COC1CC1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067384	0	37	-1.0	-49.58	327.46	0.69	-48.89
O=C(NC1(CNC(=O)C2=NC=CN2)CC1)C1=CC(=O)[N-]O1	REAL250005067385	0	33	-1.0	-50.85	301.34	-2.00	-52.85
CCCC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067386	0	39	-1.0	-47.65	338.84	1.69	-45.96
CC=C(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067387	0	33	-1.0	-46.77	301.22	0.22	-46.55
CCC(CO)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067388	0	39	-1.0	-45.90	329.97	-2.32	-48.22
CC(CO)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067389	0	36	-1.0	-48.05	312.81	-3.07	-51.12
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CON=C1	REAL250005067390	0	32	-1.0	-49.66	295.43	-0.73	-50.39
O=C(NC1(CNC(=O)[C@@H]2C[C@H]2CF)CC1)C1=CC(=O)[N-]O1	REAL250005067391	0	36	-1.0	-51.39	320.61	0.58	-50.81
C#CC1(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005067392	0	35	-1.0	-50.86	319.75	0.73	-50.13
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=COCC1	REAL250005067393	0	35	-1.0	-50.73	309.28	-1.18	-51.91
C[C@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067394	0	33	-1.0	-54.66	293.21	-3.16	-57.82
O=C(NC1(CNC(=O)C2C=CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067395	0	37	-1.0	-49.80	318.21	0.78	-49.02
CC(O)C(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067396	0	39	-1.0	-49.90	329.72	-1.36	-51.26
C=C1CC1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067397	0	34	-1.0	-47.85	306.76	0.89	-46.96
CC(CF)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067398	0	35	-1.0	-46.24	308.02	0.35	-45.89
C=C(C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067399	0	36	-1.0	-47.35	317.20	0.75	-46.60
CCSCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067400	0	36	-1.0	-49.06	327.21	0.87	-48.19
CC(C)=C(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067401	0	39	-1.0	-50.13	323.73	1.00	-49.13
CCCC(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067402	0	39	-1.0	-47.01	335.47	-0.97	-47.98
CCC(O)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067403	0	39	-1.0	-49.70	334.85	-1.30	-51.00
CC(Cl)=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067404	0	33	-1.0	-48.37	308.57	0.67	-47.70
CC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067405	0	33	-1.0	-47.77	296.25	0.15	-47.62
CC1(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1F	REAL250005067406	0	36	-1.0	-54.59	313.76	0.43	-54.16
O=C(NC1(CNC(=O)[C@H]2C[C@@H](O)C2)CC1)C1=CC(=O)[N-]O1	REAL250005067407	0	37	-1.0	-55.51	320.92	-3.17	-58.68
C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067408	0	36	-1.0	-47.86	312.93	0.96	-46.90
CNC(=O)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067409	0	36	-1.0	-57.32	318.12	-1.43	-58.75
C=CC=CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067410	0	37	-1.0	-48.24	330.84	1.52	-46.72
NC(=O)CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067411	0	36	-1.0	-51.25	320.36	-3.62	-54.87
CC(O)CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067412	0	39	-1.0	-47.95	336.02	-2.19	-50.14
C#CCC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067413	0	37	-1.0	-47.49	327.83	1.40	-46.09
CC(CCO)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067414	0	39	-1.0	-50.28	331.77	-2.50	-52.78
O=C(NC1(CNC(=O)[C@H](O)CF)CC1)C1=CC(=O)[N-]O1	REAL250005067415	0	33	-1.0	-50.88	299.89	-3.00	-53.88
O=C(NC1(CNC(=O)C2(O)CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067416	0	34	-1.0	-49.00	300.97	-3.33	-52.33
O=C(CC1CC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067417	0	36	-1.0	-49.08	310.67	0.49	-48.59
CC(C)(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067418	0	35	-1.0	-45.33	309.26	0.16	-45.17
CC(F)(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067419	0	32	-1.0	-44.71	293.83	-0.80	-45.51
COCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067420	0	33	-1.0	-51.20	294.78	-1.68	-52.88
CCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067421	0	35	-1.0	-48.27	304.00	0.26	-48.01
O=C(NCC1(NC(=O)C2=CC=CO2)CC1)C1=CC(=O)[N-]O1	REAL250005067422	0	33	-1.0	-48.13	301.66	-0.15	-48.28
CC(=O)NCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067423	0	36	-1.0	-49.88	321.13	-3.33	-53.21
CC(C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067424	0	38	-1.0	-47.83	318.88	0.91	-46.92
CC1CC1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067425	0	36	-1.0	-48.08	310.14	0.97	-47.11
CCOCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067426	0	36	-1.0	-51.25	316.64	-0.71	-51.96
CC(C)=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067427	0	36	-1.0	-47.15	310.27	0.84	-46.31
O=C(NCC1(NC(=O)C2CCCO2)CC1)C1=CC(=O)[N-]O1	REAL250005067428	0	37	-1.0	-50.41	318.65	-0.46	-50.87
CSCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067429	0	33	-1.0	-50.35	305.12	-0.57	-50.92
CSCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067430	0	36	-1.0	-48.00	327.23	0.73	-47.27
CC(C)CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067431	0	41	-1.0	-48.25	343.06	1.55	-46.70
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN1	REAL250005067432	0	34	-1.0	-50.81	304.58	-0.91	-51.72
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=COC=C1	REAL250005067433	0	33	-1.0	-52.72	298.53	-0.77	-53.49
CCCCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067434	0	41	-1.0	-47.88	346.55	1.33	-46.55
CC(C)(C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067435	0	41	-1.0	-47.02	333.96	1.40	-45.62
CCCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067436	0	38	-1.0	-47.92	325.06	0.55	-47.37
CC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067437	0	35	-1.0	-48.06	301.85	0.15	-47.91
CCC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067438	0	38	-1.0	-47.74	319.53	0.32	-47.42
CCC(CC)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067439	0	41	-1.0	-47.61	334.80	1.45	-46.16
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NN1	REAL250005067440	0	33	-1.0	-48.86	299.28	-2.20	-51.06
CSC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067441	0	36	-1.0	-50.37	323.99	0.48	-49.89
CCOC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067442	0	39	-1.0	-52.51	336.22	0.56	-51.95
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=CNN=C1	REAL250005067443	0	33	-1.0	-50.55	297.24	-2.31	-52.86
COCCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067444	0	39	-1.0	-50.59	337.23	-1.16	-51.75
O=C(NCC1(NC(=O)C2=NOC=C2)CC1)C1=CC(=O)[N-]O1	REAL250005067445	0	32	-1.0	-49.11	296.14	-0.92	-50.03
CCC=C(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067446	0	39	-1.0	-47.74	331.04	1.57	-46.17
COC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067447	0	36	-1.0	-52.36	314.37	-0.38	-52.74
CC(C)OCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067448	0	39	-1.0	-51.07	336.91	0.02	-51.05
CCCOCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067449	0	39	-1.0	-51.07	338.14	0.09	-50.98
O=C(NCC1(NC(=O)C2CCOC2)CC1)C1=CC(=O)[N-]O1	REAL250005067450	0	37	-1.0	-48.64	316.67	-1.74	-50.38
CCC(OC)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067451	0	39	-1.0	-51.00	334.28	0.43	-50.57
COC(C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067452	0	39	-1.0	-48.44	333.30	0.14	-48.30
C=CCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067453	0	36	-1.0	-47.95	316.81	0.82	-47.13
CCOCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067454	0	39	-1.0	-48.58	338.03	-0.47	-49.05
COCC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067455	0	39	-1.0	-47.35	334.24	-1.21	-48.56
C=CCOCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067456	0	37	-1.0	-51.64	329.54	-0.13	-51.77
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=COC=N1	REAL250005067457	0	32	-1.0	-49.62	295.43	-3.57	-53.19
CC(C#N)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067458	0	33	-1.0	-56.06	301.64	-0.21	-56.27
CCCC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067459	0	41	-1.0	-47.82	341.03	1.07	-46.75
O=C(CCC1CC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067460	0	39	-1.0	-47.85	335.17	1.34	-46.51
O=C(NCC1(NC(=O)C2CC=CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067461	0	37	-1.0	-47.69	317.64	0.78	-46.91
O=C(CC1CCC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067462	0	39	-1.0	-47.72	330.64	1.02	-46.70
CC(C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005067463	0	39	-1.0	-49.70	330.18	1.64	-48.06
CC=C(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067464	0	36	-1.0	-49.19	309.51	0.82	-48.37
CC1CC(C(=O)NC2(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005067465	0	39	-1.0	-46.89	329.46	0.83	-46.06
O=C(C=C1CCC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067466	0	37	-1.0	-49.14	320.96	1.49	-47.65
CC(C)=C(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067467	0	36	-1.0	-51.25	319.70	0.66	-50.59
O=C(NCC1(NC(=O)C2=CCCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067468	0	37	-1.0	-47.85	319.28	0.86	-46.99
CC1(C)CC1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067469	0	39	-1.0	-47.62	327.90	1.52	-46.10
CC1(C)C[C@@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067470	0	39	-1.0	-45.77	329.63	1.50	-44.27
O=C(NCC1(NC(=O)[C@@H]2CCCO2)CC1)C1=CC(=O)[N-]O1	REAL250005067471	0	37	-1.0	-53.70	317.97	0.13	-53.57
CCC(C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067472	0	41	-1.0	-47.14	339.22	0.99	-46.15
C#CCCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067473	0	37	-1.0	-50.61	330.84	1.07	-49.54
CC(C)(O)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067474	0	39	-1.0	-50.71	328.33	-1.30	-52.01
CC(C)[C@@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067475	0	39	-1.0	-50.14	327.96	-1.10	-51.24
CCC(C)=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067476	0	39	-1.0	-46.89	331.68	1.60	-45.29
CC(C)C#CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067477	0	37	-1.0	-49.45	331.88	1.53	-47.92
O=C(C#CC1CC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067478	0	35	-1.0	-49.26	321.81	1.17	-48.09
CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067479	0	32	-1.0	-47.76	282.76	-1.04	-48.80
COCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067480	0	36	-1.0	-48.51	316.17	-1.44	-49.95
O=C(NCC1(NC(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067481	0	33	-1.0	-47.06	293.19	0.31	-46.75
O=C(NCC1(NC(=O)C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067482	0	36	-1.0	-47.48	309.22	0.25	-47.23
O=C(NCC1(NC(=O)C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067483	0	39	-1.0	-47.92	325.81	0.86	-47.06
C=CCCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067484	0	39	-1.0	-48.27	337.87	1.11	-47.16
NC(=O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067485	0	30	-1.0	-47.38	277.85	-5.16	-52.54
CC1CC1CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067486	0	39	-1.0	-48.11	332.36	1.17	-46.94
C=C(C)CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067487	0	39	-1.0	-47.87	338.42	1.48	-46.39
CC(C)C(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067488	0	41	-1.0	-47.52	339.33	1.21	-46.31
CC[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067489	0	39	-1.0	-47.41	335.83	1.17	-46.24
O=C(NCC1(NC(=O)C2CC23CC3)CC1)C1=CC(=O)[N-]O1	REAL250005067490	0	37	-1.0	-49.66	323.98	1.75	-47.91
O=C(NCC1(NC(=O)[C@H]2CCCO2)CC1)C1=CC(=O)[N-]O1	REAL250005067491	0	37	-1.0	-52.68	317.76	0.17	-52.51
CC1(CC(=O)NC2(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005067492	0	39	-1.0	-45.98	329.72	1.64	-44.34
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=CNC=C1	REAL250005067493	0	34	-1.0	-54.90	302.38	-0.88	-55.78
O=C(NCC1(NC(=O)C2=CN=CO2)CC1)C1=CC(=O)[N-]O1	REAL250005067494	0	32	-1.0	-50.73	295.43	-3.47	-54.20
C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067495	0	36	-1.0	-47.18	314.56	0.97	-46.21
CCC(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067496	0	35	-1.0	-51.16	310.25	0.30	-50.86
O=C(CCCF)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067497	0	35	-1.0	-50.47	310.15	-0.09	-50.56
C[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067498	0	36	-1.0	-47.35	314.41	0.42	-46.93
CC(C)C(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067499	0	38	-1.0	-50.63	323.04	0.90	-49.73
O=C(NCC1(NC(=O)C2=NNN=C2)CC1)C1=CC(=O)[N-]O1	REAL250005067500	0	32	-1.0	-47.43	294.94	-3.67	-51.10
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=NN1	REAL250005067500	1	32	-1.0	-49.13	294.60	-3.62	-52.75
O=C(CO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067501	0	30	-1.0	-52.72	272.53	-3.96	-56.68
NC(=O)C=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067502	0	34	-1.0	-50.38	312.02	-4.36	-54.74
COC(=O)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067503	0	35	-1.0	-55.23	314.70	-0.11	-55.34
CSC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067504	0	34	-1.0	-47.53	317.67	-0.07	-47.60
NC(=O)CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067505	0	36	-1.0	-50.64	320.18	-3.68	-54.32
O=C(NCC1(NC(=O)C2CCO2)CC1)C1=CC(=O)[N-]O1	REAL250005067506	0	34	-1.0	-51.95	301.01	-1.42	-53.37
O=C(NCC1(NC(=O)C2=CCCO2)CC1)C1=CC(=O)[N-]O1	REAL250005067507	0	35	-1.0	-48.47	309.12	-0.58	-49.05
O=C(NCC1(NC(=O)C2COC2)CC1)C1=CC(=O)[N-]O1	REAL250005067508	0	34	-1.0	-49.74	299.80	-2.01	-51.75
O=C(C=CCO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067509	0	34	-1.0	-51.71	306.73	-3.74	-55.45
CC=CC(O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067510	0	37	-1.0	-47.64	325.07	-1.60	-49.24
C[C@@H](C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005067511	0	41	0.0	-66.39	335.03	0.09	-66.30
C[C@@H](C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005067511	1	40	-1.0	-47.58	329.56	-2.34	-49.92
CCC=C(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067512	0	36	-1.0	-45.51	320.87	0.42	-45.09
CCC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067513	0	36	-1.0	-47.92	316.72	0.38	-47.54
[N-]=[N+]=NCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067514	0	34	-1.0	-47.32	312.64	-3.89	-51.21
C#CCOCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067515	0	35	-1.0	-54.02	322.42	-0.17	-54.19
CC(O)CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067516	0	39	-1.0	-48.11	335.80	-2.24	-50.35
C#CCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067517	0	34	-1.0	-48.69	309.78	0.78	-47.91
CC=CC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067518	0	37	-1.0	-48.12	330.79	1.04	-47.08
COCC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067519	0	37	-1.0	-50.37	328.98	-1.34	-51.71
C#CCC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067520	0	37	-1.0	-47.67	327.01	0.85	-46.82
C=CC(O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067521	0	34	-1.0	-47.79	303.36	-2.46	-50.25
O=C(NCC1(NC(=O)C23CC2CC3)CC1)C1=CC(=O)[N-]O1	REAL250005067522	0	37	-1.0	-48.08	321.01	0.97	-47.11
C=C[C@H](C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067523	0	39	-1.0	-48.10	332.03	1.40	-46.70
O=C(C=CC1CC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067524	0	37	-1.0	-48.39	328.08	1.70	-46.69
CCC(C#N)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067525	0	36	-1.0	-46.25	322.01	0.43	-45.82
O=C(NCC1(NC(=O)C2C3CCC32)CC1)C1=CC(=O)[N-]O1	REAL250005067526	0	37	-1.0	-49.16	320.35	1.62	-47.54
C=C1CCC1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067527	0	37	-1.0	-47.48	322.79	0.75	-46.73
C[C@H]1C(C(=O)NC2(CNC(=O)C3=CC(=O)[N-]O3)CC2)[C@H]1C	REAL250005067528	0	39	-1.0	-47.10	316.18	1.59	-45.51
CC[N@H+](C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067529	0	41	0.0	-67.42	335.38	0.38	-67.04
CC[N@@H+](C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067529	1	41	0.0	-63.31	334.19	0.88	-62.43
CCN(C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067529	1	40	-1.0	-49.06	334.23	-1.25	-50.31
CC(O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067530	0	33	-1.0	-48.47	293.59	-2.67	-51.14
CC(=O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067531	0	31	-1.0	-46.10	284.25	-1.37	-47.47
N#CCCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067532	0	36	-1.0	-55.99	324.41	0.29	-55.70
C=C1CC(C(=O)NC2(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005067533	0	37	-1.0	-47.40	323.03	0.75	-46.65
CC(CC#N)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067534	0	36	-1.0	-48.82	320.58	0.04	-48.78
CCC1CC1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067535	0	39	-1.0	-47.58	328.90	1.75	-45.83
CCCC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067536	0	39	-1.0	-47.85	338.22	1.16	-46.69
CC=C(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067537	0	33	-1.0	-45.66	300.61	-0.31	-45.97
C[C@H](C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005067538	0	41	0.0	-63.33	333.42	0.10	-63.23
C[C@H](C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005067538	1	40	-1.0	-49.08	327.87	-1.73	-50.81
CCOC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067539	0	37	-1.0	-47.66	328.69	-0.77	-48.43
CC(=O)OCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067540	0	35	-1.0	-51.15	318.14	-0.09	-51.24
CC(=O)C=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067541	0	35	-1.0	-48.82	319.01	-0.52	-49.34
O=C(COC1CC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067542	0	37	-1.0	-51.81	327.68	0.05	-51.76
O=C(NCC1(NC(=O)C2=NC=CN2)CC1)C1=CC(=O)[N-]O1	REAL250005067543	0	33	-1.0	-49.44	298.18	-2.03	-51.47
CC(CO)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067544	0	36	-1.0	-47.76	311.99	-3.61	-51.37
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=CON=C1	REAL250005067545	0	32	-1.0	-52.80	293.22	-1.29	-54.09
O=C(CCCCO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067546	0	39	-1.0	-49.20	336.48	-2.78	-51.98
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC1	REAL250005067547	0	35	-1.0	-45.66	315.40	-0.28	-45.94
O=C(CC1(O)CC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067548	0	37	-1.0	-50.62	325.93	-1.87	-52.49
O=C(NCC1(NC(=O)C2CCC2F)CC1)C1=CC(=O)[N-]O1	REAL250005067549	0	36	-1.0	-46.52	316.04	0.93	-45.59
O=C(NCC1(NC(=O)[C@@H]2C[C@H]2CF)CC1)C1=CC(=O)[N-]O1	REAL250005067550	0	36	-1.0	-50.12	321.23	0.53	-49.59
CCC(CO)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067551	0	39	-1.0	-47.60	328.99	-2.62	-50.22
N#C[C@H]1C[C@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067552	0	34	-1.0	-57.57	309.89	0.69	-56.88
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=COCC1	REAL250005067553	0	35	-1.0	-48.93	309.20	-0.65	-49.58
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=CCC1	REAL250005067554	0	34	-1.0	-49.81	302.03	0.86	-48.95
CC(CF)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067555	0	35	-1.0	-46.80	307.20	-0.21	-47.01
CC(Cl)=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067556	0	33	-1.0	-49.31	306.73	0.66	-48.65
CC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067557	0	33	-1.0	-48.07	295.58	-0.38	-48.45
O=C(C=CCF)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067558	0	33	-1.0	-50.33	301.81	-0.26	-50.59
O=C(NCC1(NC(=O)C2=CC=NO2)CC1)C1=CC(=O)[N-]O1	REAL250005067559	0	32	-1.0	-47.40	296.14	-0.74	-48.14
C[C@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067561	0	33	-1.0	-51.86	293.11	-3.15	-55.01
CON=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067562	0	33	-1.0	-50.86	304.52	-2.42	-53.28
CC(C)[C@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067563	0	39	-1.0	-46.65	328.80	-1.11	-47.76
C=CC=CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067564	0	37	-1.0	-48.25	330.92	0.93	-47.32
C#C[C@H]1C[C@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067565	0	35	-1.0	-50.67	315.86	1.55	-49.12
CC=C(CC)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067566	0	39	-1.0	-47.14	328.67	1.67	-45.47
COC(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067567	0	33	-1.0	-52.85	301.12	-1.67	-54.52
COCC(O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067568	0	37	-1.0	-48.11	326.88	-3.33	-51.44
N#C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067569	0	34	-1.0	-48.30	314.06	0.17	-48.13
O=C(NCC1(NC(=O)[C@H]2C[C@@H](O)C2)CC1)C1=CC(=O)[N-]O1	REAL250005067570	0	37	-1.0	-50.55	320.67	-3.15	-53.70
O=C(COCCO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067571	0	37	-1.0	-54.05	328.01	-3.85	-57.90
C=CCC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067572	0	39	-1.0	-47.76	334.03	0.91	-46.85
C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067573	0	36	-1.0	-47.18	314.56	0.97	-46.21
O=C(NCC1(NC(=O)C2=NOCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067574	0	34	-1.0	-47.35	306.78	-2.17	-49.52
CC(C#N)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067575	0	36	-1.0	-49.41	318.20	0.59	-48.82
CC(CCO)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067576	0	39	-1.0	-51.57	330.95	-3.04	-54.61
O=C(NCC1(NC(=O)[C@H](O)CF)CC1)C1=CC(=O)[N-]O1	REAL250005067577	0	33	-1.0	-48.72	298.89	-3.03	-51.75
O=C(NCC1(NC(=O)C(O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005067578	0	37	-1.0	-46.98	321.60	-1.38	-48.36
C=C(C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067579	0	36	-1.0	-48.64	315.29	0.67	-47.97
CCSCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067580	0	36	-1.0	-50.26	326.59	0.32	-49.94
CC(C)=C(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067581	0	39	-1.0	-47.56	324.46	1.49	-46.07
CNC(=O)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067582	0	36	-1.0	-58.85	318.65	-2.02	-60.87
O=C(NCC1(NC(=O)C2CC(F)C2)CC1)C1=CC(=O)[N-]O1	REAL250005067583	0	36	-1.0	-46.56	315.80	0.87	-45.69
C=CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067584	0	33	-1.0	-48.30	294.97	-0.45	-48.75
C[NH+](C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067585	0	38	0.0	-61.60	315.97	0.27	-61.33
CN(C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067585	1	37	-1.0	-48.53	316.00	-2.16	-50.69
N#CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067586	0	30	-1.0	-56.87	281.52	-1.32	-58.19
O=C(NCC1(NC(=O)C2CC2F)CC1)C1=CC(=O)[N-]O1	REAL250005067587	0	33	-1.0	-47.96	299.81	0.36	-47.60
C[C@@H](C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005067588	0	41	0.0	-66.39	335.03	0.09	-66.30
C[C@@H](C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL250005067588	1	40	-1.0	-47.58	329.56	-2.34	-49.92
O=C(CCF)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067589	0	32	-1.0	-47.78	289.09	-0.37	-48.15
O=C(NCC1(NC(=O)C2C=CCC2)CC1)C1=CC(=O)[N-]O1	REAL250005067590	0	37	-1.0	-46.88	318.30	1.33	-45.55
CO[C@H](C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067591	0	36	-1.0	-50.27	314.71	-0.97	-51.24
CC(=O)CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067592	0	37	-1.0	-49.13	327.20	0.17	-48.96
C[C@@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067593	0	33	-1.0	-50.87	291.52	-2.65	-53.52
O=C(CN1CCC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067594	0	38	-1.0	-49.85	323.42	-3.07	-52.92
O=C(C[NH+]1CCC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067594	1	39	0.0	-66.74	325.61	0.14	-66.60
CC(O)C(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067595	0	39	-1.0	-50.89	330.77	-1.23	-52.12
C=C1CC1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067596	0	34	-1.0	-48.53	306.58	0.82	-47.71
COC(OC)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067597	0	37	-1.0	-51.89	319.37	-1.53	-53.42
O=C(NCC1(NC(=O)C2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL250005067598	0	34	-1.0	-55.14	307.52	-4.00	-59.14
O=C(NCC1(NC(=O)[C@@H]2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL250005067599	0	34	-1.0	-55.15	306.48	-4.13	-59.28
CCC[C@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067600	0	39	-1.0	-47.28	335.62	-1.57	-48.85
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CN1	REAL250005067601	0	33	-1.0	-51.60	299.91	-1.17	-52.77
O=C(NCC1(NC(=O)C2CC(=O)C2)CC1)C1=CC(=O)[N-]O1	REAL250005067602	0	35	-1.0	-49.62	312.17	-0.67	-50.29
CC(C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1)=C1CC1	REAL250005067603	0	37	-1.0	-49.65	322.60	1.19	-48.46
CC1=CC1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067604	0	34	-1.0	-47.85	308.03	0.46	-47.39
CN(C)C(=O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067605	0	36	-1.0	-47.42	314.80	-1.67	-49.09
CCCC(O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067606	0	39	-1.0	-48.51	335.52	-1.03	-49.54
CCC(O)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067607	0	39	-1.0	-51.17	334.23	-1.89	-53.06
O=C(CCCCF)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067608	0	38	-1.0	-48.28	331.65	0.69	-47.59
O=C(NCC1(NC(=O)[C@H]2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL250005067609	0	34	-1.0	-55.73	304.69	-4.36	-60.09
O=C(NCC1(NC(=O)C2CSC2)CC1)C1=CC(=O)[N-]O1	REAL250005067610	0	34	-1.0	-49.22	309.12	0.42	-48.80
C=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067611	0	30	-1.0	-48.43	274.34	-0.77	-49.20
O=C(NC1(CNC(=O)C2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL250005067612	0	34	-1.0	-58.48	307.73	-4.34	-62.82
O=C(NC1(CNC(=O)C2CC(F)C2)CC1)C1=CC(=O)[N-]O1	REAL250005067613	0	36	-1.0	-49.52	313.06	0.31	-49.21
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NO1	REAL250005067614	0	32	-1.0	-48.35	296.17	-1.27	-49.62
CC(=O)N1C2CCCC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005067615	0	39	-1.0	-45.90	301.63	2.01	-43.89
CC(=O)NC1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067616	0	39	-1.0	-52.17	297.35	1.99	-50.18
CCC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005067617	0	39	-1.0	-48.47	294.80	3.51	-44.96
CC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005067618	0	36	-1.0	-53.14	277.71	1.81	-51.33
O=C(CO)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005067619	0	37	-1.0	-57.95	287.73	-0.14	-58.09
CCC(=O)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067620	0	39	-1.0	-62.22	297.15	2.62	-59.60
CC(=O)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067621	0	36	-1.0	-62.12	276.04	1.77	-60.35
O=C(CO)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067622	0	37	-1.0	-67.83	287.62	-0.27	-68.10
C=CC(=O)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067623	0	37	-1.0	-62.61	288.12	2.33	-60.28
CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067624	0	39	-1.0	-48.34	294.19	3.32	-45.02
CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067625	0	36	-1.0	-45.29	273.09	2.51	-42.78
O=C(CO)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067626	0	37	-1.0	-52.58	284.70	0.43	-52.15
CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005067627	0	39	-1.0	-44.30	294.58	3.37	-40.93
CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005067628	0	36	-1.0	-44.59	272.31	2.41	-42.18
O=C(CO)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005067629	0	37	-1.0	-48.23	284.96	0.38	-47.85
C=CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005067630	0	37	-1.0	-47.60	284.78	2.95	-44.65
CC(=O)N1CCC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005067631	0	39	-1.0	-62.56	306.26	2.64	-59.92
CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005067632	0	39	-1.0	-53.46	304.42	2.36	-51.10
CC(=O)N1CCC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005067633	0	39	-1.0	-51.07	305.17	2.30	-48.77
CC(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005067634	0	39	-1.0	-50.45	302.10	2.18	-48.27
CCC(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005067635	0	39	-1.0	-50.01	313.82	2.44	-47.57
CC(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005067636	0	36	-1.0	-51.33	294.88	1.68	-49.65
O=C(CO)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005067637	0	37	-1.0	-54.73	304.29	-0.44	-55.17
CCC(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005067638	0	39	-1.0	-50.01	313.82	2.44	-47.57
CC(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005067639	0	36	-1.0	-51.33	294.88	1.68	-49.65
O=C(CO)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005067640	0	37	-1.0	-54.73	304.29	-0.44	-55.17
C=CC(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005067641	0	37	-1.0	-50.25	304.75	2.13	-48.12
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005067642	0	38	-1.0	-44.42	299.95	1.82	-42.60
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005067643	0	35	-1.0	-44.85	279.64	1.03	-43.82
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1	REAL250005067644	0	39	-1.0	-45.60	315.62	2.10	-43.50
COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005067645	0	39	-1.0	-46.94	312.67	1.03	-45.91
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005067646	0	41	-1.0	-45.60	327.18	2.14	-43.46
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005067647	0	41	-1.0	-44.53	321.44	1.84	-42.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(N)=O	REAL250005067648	0	36	-1.0	-45.02	296.84	-3.49	-48.51
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005067649	0	39	-1.0	-44.48	312.86	2.36	-42.12
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005067650	0	36	-1.0	-48.47	290.42	-1.25	-49.72
CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005067651	0	39	-1.0	-45.32	310.62	-1.11	-46.43
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCF	REAL250005067652	0	38	-1.0	-45.09	312.27	1.50	-43.59
C[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005067653	0	39	-1.0	-45.72	310.34	-1.12	-46.84
C[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005067654	0	39	-1.0	-45.33	310.46	-1.10	-46.43
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005067655	0	39	-1.0	-45.05	316.75	1.98	-43.07
COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067656	0	39	-1.0	-51.26	314.01	0.59	-50.67
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067657	0	41	-1.0	-47.95	322.55	1.86	-46.09
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067658	0	41	-1.0	-47.79	320.84	1.90	-45.89
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067659	0	38	-1.0	-48.13	301.06	1.10	-47.03
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067660	0	35	-1.0	-48.40	282.16	0.38	-48.02
CC1CC(NC(=O)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067661	0	39	-1.0	-47.91	311.58	1.88	-46.03
CC1CC(NC(=O)C(N)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067662	0	36	-1.0	-47.11	297.78	-3.60	-50.71
CC1CC(NC(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067663	0	36	-1.0	-52.82	291.76	-1.69	-54.51
CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067664	0	39	-1.0	-49.16	313.23	-1.07	-50.23
CC(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067665	0	37	-1.0	-46.02	305.18	0.21	-45.81
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067666	0	39	-1.0	-48.01	316.01	1.69	-46.32
C[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067667	0	39	-1.0	-48.54	313.56	-0.95	-49.49
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067668	0	39	-1.0	-48.32	313.97	1.64	-46.68
CC1CC(NC(=O)CC#N)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067669	0	36	-1.0	-57.30	300.75	0.90	-56.40
CC1CC(NC(=O)CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067670	0	38	-1.0	-47.52	307.65	1.23	-46.29
C[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067671	0	39	-1.0	-48.48	311.85	-1.03	-49.51
C=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005067672	0	36	-1.0	-48.19	294.28	0.80	-47.39
CCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067673	0	35	-1.0	-50.26	293.51	0.78	-49.48
COCCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067674	0	39	-1.0	-49.41	327.18	-0.15	-49.56
CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067675	0	32	-1.0	-50.75	272.10	-0.11	-50.86
O=C(NCC1CCCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005067676	0	36	-1.0	-50.22	303.65	1.50	-48.72
O=C(NCC1CCCN1C(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005067677	0	39	-1.0	-50.38	319.74	2.04	-48.34
O=C(CC1CC1)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067678	0	39	-1.0	-50.50	324.46	2.34	-48.16
CC(C)(F)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067679	0	38	-1.0	-51.40	309.64	2.06	-49.34
COCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067680	0	36	-1.0	-53.61	306.23	0.12	-53.49
CCCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067681	0	38	-1.0	-50.11	315.01	1.54	-48.57
CC(C)CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067682	0	41	-1.0	-49.76	331.73	2.14	-47.62
CC1CC1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067683	0	39	-1.0	-49.53	319.59	2.22	-47.31
CCOCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067684	0	39	-1.0	-53.75	328.08	1.07	-52.68
CC(C)=CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067685	0	39	-1.0	-49.16	322.58	2.04	-47.12
CSCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067686	0	36	-1.0	-52.85	316.57	1.23	-51.62
CCCCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067687	0	41	-1.0	-50.24	336.51	2.32	-47.92
CC(C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067688	0	38	-1.0	-52.91	306.07	2.06	-50.85
CCC(C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067689	0	41	-1.0	-50.27	326.49	1.76	-48.51
COC(C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067690	0	39	-1.0	-54.37	322.09	0.57	-53.80
C=CCCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067691	0	39	-1.0	-49.88	327.82	2.10	-47.78
CC=C(C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067692	0	39	-1.0	-53.07	313.83	2.10	-50.97
CC1(C(=O)N2CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067693	0	39	-1.0	-53.34	316.08	2.50	-50.84
C[C@@H]1C[C@H]1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067694	0	39	-1.0	-50.29	324.41	2.17	-48.12
CCC(F)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067695	0	38	-1.0	-51.02	319.53	1.50	-49.52
O=C(CCCF)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067696	0	38	-1.0	-53.03	321.60	1.68	-51.35
C[C@H]1C[C@@H]1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067697	0	39	-1.0	-50.70	324.87	2.16	-48.54
NC(=O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067698	0	33	-1.0	-46.91	285.75	-3.90	-50.81
CC(C)(C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067699	0	41	-1.0	-53.60	318.58	2.16	-51.44
C=CCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067700	0	36	-1.0	-50.23	306.42	1.32	-48.91
C[NH+](C)CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067701	0	41	0.0	-71.07	329.10	1.46	-69.61
CN(C)CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067701	1	40	-1.0	-50.57	327.01	-0.93	-51.50
C=CC(O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067702	0	37	-1.0	-51.23	312.14	-1.06	-52.29
O=C(NCC1CCCN1C(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005067703	0	37	-1.0	-50.57	310.33	-0.75	-51.32
CO[C@H](C)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067704	0	39	-1.0	-57.24	317.64	1.39	-55.85
CCC=CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067705	0	39	-1.0	-50.25	327.00	2.11	-48.14
O=C(CO)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067707	0	33	-1.0	-55.29	283.98	-2.16	-57.45
CC(O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067708	0	36	-1.0	-50.77	299.47	-1.67	-52.44
O=C(NCC1CCCN1C(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005067709	0	36	-1.0	-48.02	309.84	1.59	-46.43
O=C(CCF)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067710	0	35	-1.0	-48.82	300.10	0.92	-47.90
O=C(C=CCF)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067711	0	36	-1.0	-52.21	312.09	1.46	-50.75
C#CCCC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067712	0	37	-1.0	-49.90	320.79	2.06	-47.84
O=C(NCC1CCCN1C(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005067713	0	37	-1.0	-56.03	308.73	0.23	-55.80
CC(C)(O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067714	0	39	-1.0	-47.86	319.58	-1.71	-49.57
CC1=CC1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067715	0	37	-1.0	-50.56	317.91	2.22	-48.34
C[C@@H](O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067716	0	36	-1.0	-53.87	295.53	-0.82	-54.69
O=C(C=CCO)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067717	0	37	-1.0	-53.88	317.01	-2.02	-55.90
O=C(NCC1CCCN1C(=O)C1=CCC1)C1=CC(=O)[N-]O1	REAL250005067718	0	37	-1.0	-51.60	310.04	1.92	-49.68
CON=CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067719	0	36	-1.0	-52.48	314.82	-0.74	-53.22
O=C(NCC1CCCN1C(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005067720	0	36	-1.0	-47.37	307.29	1.44	-45.93
CC=C(F)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067721	0	36	-1.0	-47.19	308.75	1.31	-45.88
CC(CO)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067722	0	39	-1.0	-49.59	318.95	-2.19	-51.78
C[C@H](O)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067723	0	36	-1.0	-50.70	299.47	-1.66	-52.36
C=C1CC1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067724	0	37	-1.0	-50.17	316.64	2.07	-48.10
CC(CF)C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067725	0	38	-1.0	-48.52	314.35	1.24	-47.28
C=C(C)CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067726	0	39	-1.0	-49.98	328.03	1.97	-48.01
CC=CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067727	0	36	-1.0	-50.45	305.91	1.35	-49.10
C[C@@H]1C[C@H]1C(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005067728	0	39	-1.0	-50.29	324.41	2.17	-48.12
O=C(NCC1CCCN1C(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005067729	0	37	-1.0	-53.74	306.98	-0.84	-54.58
O=C(CC1CC1)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067730	0	39	-1.0	-55.03	322.11	2.16	-52.87
CC(C)(F)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067731	0	38	-1.0	-50.36	315.96	1.35	-49.01
COCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067732	0	36	-1.0	-57.01	303.03	-0.01	-57.02
CCCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067733	0	38	-1.0	-53.59	311.80	1.40	-52.19
CC(C)CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067734	0	41	-1.0	-53.15	328.53	1.98	-51.17
CC1CC1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067735	0	39	-1.0	-53.52	322.19	2.07	-51.45
CCOCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067736	0	39	-1.0	-57.05	324.88	0.95	-56.10
CC(C)=CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067737	0	39	-1.0	-52.80	319.80	1.94	-50.86
CSCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067738	0	36	-1.0	-56.01	313.37	1.06	-54.95
CCCCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067739	0	41	-1.0	-53.69	333.30	2.18	-51.51
CC(C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067740	0	38	-1.0	-53.42	309.88	1.30	-52.12
CCC(C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067741	0	41	-1.0	-53.38	328.00	1.94	-51.44
COC(C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067742	0	39	-1.0	-56.78	322.84	0.68	-56.10
C=CCCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067743	0	39	-1.0	-53.56	324.61	1.96	-51.60
CC(C#N)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067744	0	36	-1.0	-60.70	309.31	0.90	-59.80
CC=C(C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067745	0	39	-1.0	-53.90	318.62	1.92	-51.98
CCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067746	0	35	-1.0	-53.80	290.30	0.63	-53.17
COCCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067747	0	39	-1.0	-52.74	323.98	-0.30	-53.04
CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067748	0	32	-1.0	-53.90	269.73	-0.19	-54.09
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005067749	0	36	-1.0	-53.45	300.83	1.40	-52.05
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005067750	0	39	-1.0	-54.57	317.89	1.89	-52.68
NC(=O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067751	0	33	-1.0	-49.39	285.65	-4.03	-53.42
CC(C)(C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067752	0	41	-1.0	-53.37	328.76	1.85	-51.52
CC1(C(=O)NCC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067753	0	39	-1.0	-45.50	312.67	3.04	-42.46
C[C@@H]1C[C@H]1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067754	0	39	-1.0	-53.39	322.19	2.06	-51.33
CCC(F)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067755	0	38	-1.0	-54.49	318.08	1.43	-53.06
O=C(CCCF)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067756	0	38	-1.0	-56.52	318.39	1.54	-54.98
C[C@H]1C[C@@H]1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067757	0	39	-1.0	-54.52	323.02	2.06	-52.46
O=C(CO)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067758	0	33	-1.0	-58.80	280.77	-2.29	-61.09
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCO1	REAL250005067759	0	37	-1.0	-58.68	308.78	0.26	-58.42
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1COC1	REAL250005067760	0	37	-1.0	-53.60	307.65	-0.87	-54.47
O=C(C=CCO)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067761	0	37	-1.0	-57.35	314.98	-2.13	-59.48
CCC=CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067762	0	39	-1.0	-53.51	324.97	1.99	-51.52
C#CCCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067763	0	37	-1.0	-53.27	317.59	1.91	-51.36
C=CC(O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067764	0	37	-1.0	-53.65	314.31	-0.95	-54.60
CC(O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067765	0	36	-1.0	-54.60	301.13	-1.51	-56.11
CC(=O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067766	0	34	-1.0	-49.12	292.57	-0.22	-49.34
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(F)CC1	REAL250005067767	0	36	-1.0	-50.74	307.20	1.45	-49.29
CC=C(F)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067768	0	36	-1.0	-49.66	308.85	1.30	-48.36
CC(CO)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067769	0	39	-1.0	-52.55	320.46	-1.99	-54.54
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(O)CC1	REAL250005067770	0	37	-1.0	-52.71	309.14	-1.67	-54.38
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005067771	0	37	-1.0	-54.39	310.78	1.92	-52.47
CC(CF)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067772	0	38	-1.0	-51.57	315.67	1.41	-50.16
CC=CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067773	0	36	-1.0	-53.70	303.88	1.23	-52.47
O=C(C=CCF)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067774	0	36	-1.0	-55.95	310.06	1.35	-54.60
C[C@H](O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067776	0	36	-1.0	-54.63	301.10	-1.50	-56.13
CON=CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067777	0	36	-1.0	-55.35	312.77	-0.80	-56.15
C[C@@H]1C[C@H]1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067778	0	39	-1.0	-53.39	322.19	2.06	-51.33
CC(C)(O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067779	0	39	-1.0	-51.49	320.79	-1.95	-53.44
C=C(C)CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067780	0	39	-1.0	-53.43	324.83	1.83	-51.60
C=CCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067781	0	36	-1.0	-53.90	303.22	1.17	-52.73
C[NH+](C)CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067782	0	41	0.0	-74.65	325.89	1.35	-73.30
CN(C)CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067782	1	40	-1.0	-53.97	323.81	-1.04	-55.01
N#CCC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067783	0	33	-1.0	-62.70	289.77	0.30	-62.40
O=C(NCC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1F	REAL250005067784	0	36	-1.0	-52.50	307.61	1.49	-51.01
O=C(CCF)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067785	0	35	-1.0	-52.20	296.90	0.77	-51.43
CO[C@H](C)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067786	0	39	-1.0	-57.05	323.89	0.71	-56.34
C[C@@H](O)C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067787	0	36	-1.0	-54.85	302.18	-1.50	-56.35
C=C1CC1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067788	0	37	-1.0	-53.24	314.38	1.97	-51.27
CC1=CC1C(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067789	0	37	-1.0	-54.33	316.95	2.10	-52.23
C=CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005067790	0	33	-1.0	-53.82	282.16	0.34	-53.48
CCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067791	0	38	-1.0	-48.41	296.39	1.50	-46.91
CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067792	0	35	-1.0	-45.89	276.08	0.68	-45.21
CC1(NC(=O)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067793	0	39	-1.0	-48.07	306.90	2.27	-45.80
COCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067794	0	39	-1.0	-51.44	309.11	0.71	-50.73
CCCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067795	0	41	-1.0	-48.20	317.88	2.25	-45.95
CC(C)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067796	0	41	-1.0	-47.96	315.94	2.15	-45.81
CC1(NC(=O)C(N)=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067797	0	36	-1.0	-45.67	291.73	-3.19	-48.86
C=CCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067798	0	39	-1.0	-48.42	309.30	2.03	-46.39
CC1(NC(=O)CO)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067799	0	36	-1.0	-49.74	286.86	-1.57	-51.31
CC(O)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067800	0	39	-1.0	-48.70	307.18	-0.79	-49.49
CC1(NC(=O)CCF)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067801	0	38	-1.0	-47.89	302.97	1.62	-46.27
C[C@@H](O)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067802	0	39	-1.0	-49.82	307.18	-0.79	-50.61
C[C@H](O)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067803	0	39	-1.0	-52.58	307.52	-0.81	-53.39
CC=CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067804	0	39	-1.0	-45.37	309.95	2.10	-43.27
COCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067805	0	39	-1.0	-47.90	311.99	1.05	-46.85
CCCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067806	0	41	-1.0	-45.15	320.78	2.42	-42.73
CC(C)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067807	0	41	-1.0	-44.89	318.75	2.18	-42.71
CCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067808	0	38	-1.0	-45.43	299.26	1.66	-43.77
CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067809	0	35	-1.0	-45.83	278.96	0.89	-44.94
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC2)CC1	REAL250005067810	0	39	-1.0	-45.44	309.02	2.40	-43.04
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(N)=O)CC1	REAL250005067811	0	36	-1.0	-46.83	292.07	-3.15	-49.98
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CO)CC1	REAL250005067812	0	36	-1.0	-49.52	289.74	-1.24	-50.76
CC(O)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067813	0	39	-1.0	-45.43	305.62	-0.72	-46.15
CC(=O)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067814	0	37	-1.0	-45.57	299.20	0.67	-44.90
CC=CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067815	0	39	-1.0	-45.51	311.77	2.24	-43.27
C[C@H](O)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067816	0	39	-1.0	-48.91	305.96	-0.75	-49.66
C=CCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067817	0	39	-1.0	-45.50	312.20	2.21	-43.29
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC#N)CC1	REAL250005067818	0	36	-1.0	-52.21	298.73	1.35	-50.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCF)CC1	REAL250005067819	0	38	-1.0	-44.81	305.85	1.80	-43.01
C[C@@H](O)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067820	0	39	-1.0	-50.34	306.18	-0.69	-51.03
C=CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067821	0	36	-1.0	-45.67	290.04	1.36	-44.31
C#CCN(C(C)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067822	0	37	-1.0	-49.68	303.77	2.83	-46.85
C#CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(C)=O)CC1	REAL250005067823	0	37	-1.0	-53.83	304.22	3.17	-50.66
CCC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL250005067824	0	41	-1.0	-44.79	330.13	1.29	-43.50
CC(=O)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL250005067825	0	38	-1.0	-48.35	308.76	0.53	-47.82
O=C(CO)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL250005067826	0	39	-1.0	-48.91	320.60	-1.63	-50.54
CCC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL250005067827	0	41	-1.0	-44.14	330.61	1.16	-42.98
CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL250005067828	0	38	-1.0	-44.47	310.01	0.35	-44.12
O=C(CO)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL250005067829	0	39	-1.0	-47.96	321.07	-1.76	-49.72
C=CC(=O)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL250005067830	0	39	-1.0	-44.52	322.46	0.88	-43.64
CCC(=O)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067831	0	39	-1.0	-62.22	297.15	2.62	-59.60
CC(=O)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067832	0	36	-1.0	-62.12	276.04	1.77	-60.35
O=C(CO)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005067833	0	37	-1.0	-67.83	287.62	-0.27	-68.10
CCC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005067834	0	39	-1.0	-48.47	294.80	3.51	-44.96
CC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005067835	0	36	-1.0	-53.14	277.71	1.81	-51.33
O=C(CO)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005067836	0	37	-1.0	-57.95	287.73	-0.14	-58.09
C=CC(=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005067837	0	37	-1.0	-52.86	290.26	2.34	-50.52
CCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067838	0	35	-1.0	-49.51	286.49	0.31	-49.20
COCCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067839	0	39	-1.0	-49.44	320.17	-0.62	-50.06
CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067840	0	32	-1.0	-49.63	267.24	-0.51	-50.14
CC1(NC(=O)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067841	0	36	-1.0	-49.83	296.82	1.06	-48.77
CC1(NC(=O)C2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067842	0	39	-1.0	-49.44	313.20	1.59	-47.85
CC1(NC(=O)CC2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067843	0	39	-1.0	-50.29	317.35	1.84	-48.45
CC(C)(F)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067844	0	38	-1.0	-46.61	313.20	0.97	-45.64
COCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067845	0	36	-1.0	-52.68	299.22	-0.44	-53.12
CCCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067846	0	38	-1.0	-49.33	308.00	1.07	-48.26
CC(C)CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067847	0	41	-1.0	-48.93	324.72	1.66	-47.27
CC1CC1C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067848	0	39	-1.0	-48.82	312.93	1.79	-47.03
CCOCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067849	0	39	-1.0	-52.70	321.08	0.52	-52.18
CC(C)=CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067850	0	39	-1.0	-48.06	314.95	1.27	-46.79
CSCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067851	0	36	-1.0	-51.81	309.56	0.73	-51.08
CCCCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067852	0	41	-1.0	-49.42	329.49	1.85	-47.57
CC(C)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067853	0	38	-1.0	-49.10	305.93	0.97	-48.13
CCC(C)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067854	0	41	-1.0	-49.26	324.17	1.63	-47.63
COC(C)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067855	0	39	-1.0	-52.28	319.04	0.26	-52.02
C=CCCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067856	0	39	-1.0	-49.13	320.81	1.63	-47.50
CC=C(C)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067857	0	39	-1.0	-49.82	315.83	1.62	-48.20
C[C@@H]1C[C@H]1C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067858	0	39	-1.0	-49.56	318.30	1.74	-47.82
CCC(F)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067859	0	38	-1.0	-48.94	314.28	1.10	-47.84
CC1(NC(=O)CCCF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067860	0	38	-1.0	-52.01	314.59	1.21	-50.80
C[C@H]1C[C@@H]1C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067861	0	39	-1.0	-50.43	319.44	1.74	-48.69
CC1(NC(=O)C(N)=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067862	0	33	-1.0	-49.75	282.87	-4.35	-54.10
C=CCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067863	0	36	-1.0	-49.53	299.41	0.85	-48.68
C[NH+](C)CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067864	0	41	0.0	-70.49	322.08	1.03	-69.46
CN(C)CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067864	1	40	-1.0	-50.01	320.01	-1.36	-51.37
C=CC(O)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067865	0	37	-1.0	-50.52	307.86	-1.22	-51.74
CC1(NC(=O)C2COC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067866	0	37	-1.0	-53.87	303.67	-1.14	-55.01
CO[C@H](C)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067867	0	39	-1.0	-52.28	319.00	0.26	-52.02
CCC=CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067868	0	39	-1.0	-49.38	321.03	1.68	-47.70
CC1(NC(=O)CO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067870	0	33	-1.0	-54.19	276.85	-2.72	-56.91
CC(O)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067871	0	36	-1.0	-51.04	297.33	-1.94	-52.98
CC1(NC(=O)C2CC2F)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067872	0	36	-1.0	-54.81	304.23	1.14	-53.67
CC1(NC(=O)CCF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067873	0	35	-1.0	-48.87	293.09	0.45	-48.42
CC1(NC(=O)C=CCF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067874	0	36	-1.0	-51.87	306.13	1.03	-50.84
C#CCCC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067875	0	37	-1.0	-49.65	313.78	1.59	-48.06
CC1(NC(=O)C2CCO2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067876	0	37	-1.0	-54.36	305.21	-0.27	-54.63
CC1=CC1C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067877	0	37	-1.0	-49.77	312.01	1.78	-47.99
C[C@@H](O)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067878	0	36	-1.0	-51.04	297.29	-1.94	-52.98
CC1(NC(=O)C=CCO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067879	0	37	-1.0	-53.18	311.05	-2.45	-55.63
CC1(NC(=O)C2=CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067880	0	37	-1.0	-50.04	306.85	1.58	-48.46
CON=CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067881	0	36	-1.0	-52.66	309.98	-1.11	-53.77
CC=C(F)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067882	0	36	-1.0	-47.23	304.91	0.98	-46.25
CC(CO)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067883	0	39	-1.0	-49.40	316.62	-2.31	-51.71
C[C@H](O)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067884	0	36	-1.0	-49.73	297.29	-1.94	-51.67
C=C1CC1C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067885	0	37	-1.0	-49.51	310.59	1.65	-47.86
CC(CF)C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067886	0	38	-1.0	-48.40	312.02	1.12	-47.28
C=C(C)CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067887	0	39	-1.0	-49.54	321.06	1.51	-48.03
CC=CC(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067888	0	36	-1.0	-49.60	301.09	0.93	-48.67
C[C@@H]1C[C@H]1C(=O)NC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067889	0	39	-1.0	-49.56	318.30	1.74	-47.82
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC2)C1	REAL250005067890	0	39	-1.0	-45.45	319.74	2.00	-43.45
CC(C)(F)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067891	0	38	-1.0	-43.43	308.87	0.86	-42.57
COCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067892	0	36	-1.0	-56.34	302.14	-0.17	-56.51
CCCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067893	0	38	-1.0	-45.18	310.30	1.23	-43.95
CC(C)CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067894	0	41	-1.0	-44.81	327.04	1.82	-42.99
CC1CC1C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067895	0	39	-1.0	-45.19	319.79	1.87	-43.32
CCOCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067896	0	39	-1.0	-56.35	323.85	0.79	-55.56
CC(C)=CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067897	0	39	-1.0	-52.23	317.84	1.69	-50.54
CSCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067898	0	36	-1.0	-55.19	312.48	0.88	-54.31
CCCCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067899	0	41	-1.0	-45.25	331.80	2.01	-43.24
CC(C)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067900	0	38	-1.0	-45.10	304.01	0.80	-44.30
CCC(C)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067901	0	41	-1.0	-47.77	327.31	1.65	-46.12
COC(C)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067902	0	39	-1.0	-48.08	317.46	0.38	-47.70
C=CCCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067903	0	39	-1.0	-45.27	323.11	1.79	-43.48
CC(C#N)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067904	0	36	-1.0	-54.55	307.23	0.62	-53.93
CC=C(C)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067905	0	39	-1.0	-46.99	310.58	1.27	-45.72
CCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067906	0	35	-1.0	-45.48	288.80	0.46	-45.02
COCCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067907	0	39	-1.0	-45.26	322.47	-0.47	-45.73
CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067908	0	32	-1.0	-53.17	267.41	-0.44	-53.61
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC2)C1	REAL250005067909	0	36	-1.0	-45.43	298.48	1.18	-44.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC2)C1	REAL250005067910	0	39	-1.0	-45.17	315.02	1.72	-43.45
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(N)=O)C1	REAL250005067911	0	33	-1.0	-48.47	281.91	-4.25	-52.72
CC(C)(C)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067912	0	41	-1.0	-48.25	317.90	1.15	-47.10
CC1(C(=O)N2CCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005067913	0	39	-1.0	-48.16	313.87	1.48	-46.68
C[C@@H]1C[C@H]1C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067914	0	39	-1.0	-45.23	320.67	1.87	-43.36
CCC(F)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067915	0	38	-1.0	-46.34	314.98	1.21	-45.13
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCCF)C1	REAL250005067916	0	38	-1.0	-47.56	316.89	1.37	-46.19
C[C@H]1C[C@@H]1C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067917	0	39	-1.0	-45.29	319.86	1.87	-43.42
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CO)C1	REAL250005067918	0	33	-1.0	-58.15	279.76	-2.45	-60.60
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCO2)C1	REAL250005067919	0	37	-1.0	-48.87	307.17	0.00	-48.87
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2COC2)C1	REAL250005067920	0	37	-1.0	-45.55	305.46	-1.02	-46.57
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CCO)C1	REAL250005067921	0	37	-1.0	-56.88	313.17	-2.38	-59.26
CCC=CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067922	0	39	-1.0	-53.00	323.16	1.75	-51.25
C#CCCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067923	0	37	-1.0	-45.53	316.08	1.74	-43.79
C=CC(O)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067924	0	37	-1.0	-45.26	305.95	-1.14	-46.40
CC(O)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067925	0	36	-1.0	-48.69	295.42	-1.84	-50.53
CC(=O)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067926	0	34	-1.0	-48.23	289.32	-0.44	-48.67
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(F)CC2)C1	REAL250005067927	0	36	-1.0	-44.99	303.74	1.14	-43.85
CC=C(F)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067928	0	36	-1.0	-49.21	304.90	0.98	-48.23
CC(CO)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067929	0	39	-1.0	-45.45	318.32	-2.32	-47.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(O)CC2)C1	REAL250005067930	0	37	-1.0	-47.83	303.27	-1.65	-49.48
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CCC2)C1	REAL250005067931	0	37	-1.0	-46.36	304.75	1.54	-44.82
CC(CF)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067932	0	38	-1.0	-46.60	314.47	1.12	-45.48
CC=CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067933	0	36	-1.0	-53.19	301.94	0.99	-52.20
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CCF)C1	REAL250005067934	0	36	-1.0	-55.42	308.25	1.10	-54.32
C[C@H](O)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067936	0	36	-1.0	-46.49	295.82	-1.82	-48.31
CON=CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067937	0	36	-1.0	-54.49	310.97	-1.06	-55.55
C[C@@H]1C[C@H]1C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067938	0	39	-1.0	-45.23	320.67	1.87	-43.36
CC(C)(O)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067939	0	39	-1.0	-45.93	313.66	-2.06	-47.99
C=C(C)CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067940	0	39	-1.0	-45.36	323.06	1.66	-43.70
C=CCC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067941	0	36	-1.0	-45.46	301.71	1.01	-44.45
C[NH+](C)CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067942	0	41	0.0	-67.62	324.40	1.16	-66.46
CN(C)CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067942	1	40	-1.0	-45.68	322.31	-1.24	-46.92
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC#N)C1	REAL250005067943	0	33	-1.0	-61.43	288.75	0.11	-61.32
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC2F)C1	REAL250005067944	0	36	-1.0	-44.62	305.26	1.29	-43.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCF)C1	REAL250005067945	0	35	-1.0	-44.71	295.39	0.60	-44.11
CO[C@H](C)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067946	0	39	-1.0	-47.93	316.79	0.31	-47.62
C[C@@H](O)C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067947	0	36	-1.0	-51.56	296.68	-1.87	-53.43
C=C1CC1C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067948	0	37	-1.0	-45.43	312.86	1.78	-43.65
CC1=CC1C(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067949	0	37	-1.0	-46.01	313.61	1.90	-44.11
C=CC(=O)N1CCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067950	0	33	-1.0	-53.29	280.34	0.11	-53.18
CCC(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067951	0	38	-1.0	-47.12	313.88	1.37	-45.75
CC(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067952	0	35	-1.0	-50.69	290.99	0.42	-50.27
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC2)C1	REAL250005067953	0	39	-1.0	-47.78	321.99	1.97	-45.81
COCC(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067954	0	39	-1.0	-54.33	327.01	0.69	-53.64
CCCC(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067955	0	41	-1.0	-47.10	336.04	2.05	-45.05
CC(C)C(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067956	0	41	-1.0	-46.94	333.85	1.80	-45.14
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(N)=O)C1	REAL250005067957	0	36	-1.0	-47.27	306.58	-3.41	-50.68
C=CCC(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067958	0	39	-1.0	-47.27	326.79	1.91	-45.36
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CO)C1	REAL250005067959	0	36	-1.0	-56.05	304.75	-1.60	-57.65
CC(O)C(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067960	0	39	-1.0	-48.12	320.95	-0.98	-49.10
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCF)C1	REAL250005067961	0	38	-1.0	-46.30	321.13	1.43	-44.87
C[C@@H](O)C(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067962	0	39	-1.0	-48.80	318.37	-1.12	-49.92
C[C@H](O)C(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067963	0	39	-1.0	-53.40	319.15	-1.06	-54.46
CC=CC(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067964	0	39	-1.0	-51.06	327.12	1.87	-49.19
COCC(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067965	0	39	-1.0	-50.89	322.34	0.52	-50.37
CCCC(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067966	0	41	-1.0	-47.75	331.12	1.92	-45.83
CC(C)C(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067967	0	41	-1.0	-47.53	329.19	1.82	-45.71
CCC(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067968	0	38	-1.0	-48.03	309.62	1.15	-46.88
CC(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067969	0	35	-1.0	-48.26	289.31	0.35	-47.91
CC1(CNC(=O)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067970	0	39	-1.0	-52.88	319.23	2.08	-50.80
CC1(CNC(=O)C(N)=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067971	0	36	-1.0	-48.72	304.97	-3.52	-52.24
CC1(CNC(=O)CO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067972	0	36	-1.0	-52.33	300.09	-1.76	-54.09
CC(O)C(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067973	0	39	-1.0	-48.61	320.42	-0.99	-49.60
CC(=O)C(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067974	0	37	-1.0	-47.35	312.36	0.28	-47.07
CC=CC(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067975	0	39	-1.0	-47.99	323.20	1.75	-46.24
C[C@H](O)C(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067976	0	39	-1.0	-48.90	320.42	-0.99	-49.89
C=CCC(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067977	0	39	-1.0	-48.14	322.53	1.69	-46.45
CC1(CNC(=O)CC#N)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067978	0	36	-1.0	-56.43	309.08	0.83	-55.60
CC1(CNC(=O)CCF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067979	0	38	-1.0	-47.68	316.21	1.29	-46.39
C[C@@H](O)C(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067980	0	39	-1.0	-48.59	320.42	-0.98	-49.57
C=CC(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067981	0	36	-1.0	-48.14	301.47	0.86	-47.28
CCC(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067982	0	41	-1.0	-49.27	316.61	1.66	-47.61
CC(=O)NCC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067983	0	38	-1.0	-49.65	296.30	0.84	-48.81
CC1(CNC(=O)CO)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067984	0	39	-1.0	-53.90	307.08	-1.26	-55.16
CCC(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067985	0	41	-1.0	-46.81	319.71	1.95	-44.86
CC(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067986	0	38	-1.0	-49.57	298.44	1.12	-48.45
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CO)CC1	REAL250005067987	0	39	-1.0	-51.28	310.18	-0.94	-52.22
C=CC(=O)N1CCC(C)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005067988	0	39	-1.0	-49.55	310.49	1.64	-47.91
CCC(=O)NCC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067989	0	41	-1.0	-46.10	318.91	2.10	-44.00
CC(=O)NCC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067990	0	38	-1.0	-46.45	298.62	1.28	-45.17
CC1(CNC(=O)CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005067991	0	39	-1.0	-50.06	309.38	-0.82	-50.88
CCC(=O)N1CCCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067992	0	41	-1.0	-51.37	322.04	2.36	-49.01
CC(=O)N1CCCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067993	0	38	-1.0	-51.57	301.63	1.59	-49.98
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CO)C1	REAL250005067994	0	39	-1.0	-56.58	312.51	-0.54	-57.12
C=CC(=O)N1CCCC(C)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005067995	0	39	-1.0	-51.56	312.78	2.07	-49.49
CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005067996	0	39	-1.0	-48.97	313.55	-0.90	-49.87
CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005067997	0	36	-1.0	-49.17	293.26	-1.72	-50.89
O=C(CO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005067998	0	37	-1.0	-52.92	304.06	-3.79	-56.71
CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005067999	0	39	-1.0	-47.47	313.56	-0.90	-48.37
CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005068000	0	36	-1.0	-47.52	293.30	-1.72	-49.24
O=C(CO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005068001	0	37	-1.0	-51.86	304.03	-3.96	-55.82
C=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005068002	0	37	-1.0	-47.35	305.43	-1.15	-48.50
CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068003	0	36	-1.0	-49.70	303.14	-2.58	-52.28
CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068004	0	33	-1.0	-49.95	282.85	-3.40	-53.35
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005068005	0	37	-1.0	-49.31	312.48	-1.75	-51.06
COCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068006	0	37	-1.0	-52.59	315.86	-3.22	-55.81
CCCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068007	0	39	-1.0	-49.42	324.64	-1.81	-51.23
CC(C)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068008	0	39	-1.0	-49.35	322.61	-1.85	-51.20
NC(=O)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068009	0	34	-1.0	-50.14	298.48	-7.25	-57.39
C=CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068010	0	37	-1.0	-49.91	316.05	-2.04	-51.95
O=C(CO)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068011	0	34	-1.0	-54.09	293.61	-5.50	-59.59
CC(O)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068012	0	37	-1.0	-50.75	313.86	-4.65	-55.40
C[C@@H](O)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068013	0	37	-1.0	-50.45	314.01	-4.74	-55.19
C[C@H](O)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068014	0	37	-1.0	-50.60	313.90	-4.71	-55.31
CC=CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068015	0	37	-1.0	-49.60	316.71	-1.98	-51.58
COCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068016	0	37	-1.0	-53.82	318.84	-3.06	-56.88
CCCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068017	0	39	-1.0	-48.56	326.43	-1.68	-50.24
CC(C)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068018	0	39	-1.0	-48.72	325.65	-1.89	-50.61
CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068019	0	36	-1.0	-48.88	306.17	-2.39	-51.27
CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068020	0	33	-1.0	-50.98	284.70	-3.24	-54.22
O=C(NCC1(O)CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005068021	0	37	-1.0	-48.97	316.08	-1.67	-50.64
NC(=O)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068022	0	34	-1.0	-47.38	297.57	-7.12	-54.50
O=C(CO)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068023	0	34	-1.0	-55.72	295.48	-5.31	-61.03
CC(O)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068024	0	37	-1.0	-52.95	311.49	-4.80	-57.75
CC(=O)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068025	0	35	-1.0	-47.07	303.99	-3.33	-50.40
CC=CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068026	0	37	-1.0	-50.91	317.73	-1.90	-52.81
C[C@H](O)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068027	0	37	-1.0	-49.45	311.16	-4.80	-54.25
C=CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068028	0	37	-1.0	-48.99	319.08	-1.85	-50.84
N#CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068029	0	34	-1.0	-59.23	304.47	-2.76	-61.99
C[C@@H](O)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068030	0	37	-1.0	-49.42	312.08	-4.72	-54.14
C=CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068031	0	34	-1.0	-50.99	296.00	-2.77	-53.76
CCC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068032	0	33	-1.0	-51.10	288.39	-3.24	-54.34
COCCC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068033	0	37	-1.0	-51.24	322.06	-4.17	-55.41
CC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068034	0	30	-1.0	-51.42	268.10	-4.06	-55.48
O=C(NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005068035	0	34	-1.0	-50.88	298.92	-2.53	-53.41
O=C(NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005068036	0	37	-1.0	-50.62	314.68	-1.97	-52.59
O=C(CC1CC1)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068037	0	37	-1.0	-51.21	319.33	-1.70	-52.91
COCC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068038	0	34	-1.0	-53.99	301.11	-3.88	-57.87
CCCC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068039	0	36	-1.0	-50.85	309.88	-2.47	-53.32
CC(C)CC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068040	0	39	-1.0	-50.47	326.61	-1.89	-52.36
CC1CC1C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068041	0	37	-1.0	-50.60	320.28	-1.80	-52.40
CCOCC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068042	0	37	-1.0	-53.89	322.96	-2.92	-56.81
CC(C)=CC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068043	0	37	-1.0	-50.14	317.53	-1.95	-52.09
CCCCC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068044	0	39	-1.0	-50.87	331.38	-1.69	-52.56
CC(C)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068045	0	36	-1.0	-50.54	307.94	-2.57	-53.11
CCC(C)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068046	0	39	-1.0	-50.39	326.06	-1.92	-52.31
COC(C)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068047	0	37	-1.0	-53.52	320.89	-3.17	-56.69
C=CCCC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068048	0	37	-1.0	-50.92	322.70	-1.91	-52.83
CC=C(C)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068049	0	37	-1.0	-50.73	316.70	-1.96	-52.69
CC1(C(=O)NCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005068050	0	37	-1.0	-50.36	316.66	-1.86	-52.22
C[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068051	0	37	-1.0	-50.64	320.30	-1.80	-52.44
C[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068052	0	37	-1.0	-50.59	320.56	-1.83	-52.42
NC(=O)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068053	0	31	-1.0	-51.58	283.73	-7.91	-59.49
CC(C)(C)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068054	0	39	-1.0	-50.27	326.82	-2.00	-52.27
C=CCC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068055	0	34	-1.0	-51.35	301.30	-2.70	-54.05
C[NH+](C)CC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068056	0	39	0.0	-75.67	323.97	-2.52	-78.19
CN(C)CC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068056	1	38	-1.0	-51.47	321.89	-4.91	-56.38
C=CC(O)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068057	0	35	-1.0	-51.34	312.39	-4.83	-56.17
O=C(NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005068058	0	35	-1.0	-51.68	305.55	-4.69	-56.37
CO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068059	0	37	-1.0	-53.50	320.90	-3.17	-56.67
CCC=CC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068060	0	37	-1.0	-50.72	323.05	-1.88	-52.60
O=C(CO)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068062	0	31	-1.0	-55.48	278.86	-6.16	-61.64
CC(O)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068063	0	34	-1.0	-52.09	299.18	-5.37	-57.46
O=C(NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005068064	0	34	-1.0	-50.94	305.69	-2.38	-53.32
O=C(CCF)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068065	0	33	-1.0	-50.95	294.98	-3.10	-54.05
O=C(C=CCF)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068066	0	34	-1.0	-53.00	308.14	-2.52	-55.52
C#CCCC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068067	0	35	-1.0	-51.45	315.67	-1.96	-53.41
O=C(NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005068068	0	35	-1.0	-53.57	306.98	-3.73	-57.30
CC(C)(O)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068069	0	37	-1.0	-50.01	318.87	-5.82	-55.83
CC1=CC1C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068070	0	35	-1.0	-51.37	313.91	-1.77	-53.14
C[C@@H](O)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068071	0	34	-1.0	-51.77	299.18	-5.37	-57.14
O=C(C=CCO)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068072	0	35	-1.0	-54.14	313.06	-6.00	-60.14
O=C(NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005068073	0	35	-1.0	-51.20	308.86	-1.96	-53.16
CON=CC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068074	0	34	-1.0	-54.18	310.85	-4.67	-58.85
O=C(NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005068075	0	34	-1.0	-50.08	305.30	-2.49	-52.57
CC=C(F)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068076	0	34	-1.0	-49.44	306.93	-2.57	-52.01
CC(CO)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068077	0	37	-1.0	-51.26	318.52	-5.85	-57.11
C[C@H](O)C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068078	0	34	-1.0	-52.09	299.18	-5.38	-57.47
C=C1CC1C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068079	0	35	-1.0	-50.93	312.46	-1.90	-52.83
C=C(C)CC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068080	0	37	-1.0	-51.08	322.91	-2.04	-53.12
CC=CC(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068081	0	34	-1.0	-50.91	301.96	-2.64	-53.55
C[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068082	0	37	-1.0	-50.64	320.30	-1.80	-52.44
O=C(NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005068083	0	35	-1.0	-50.81	307.21	-5.54	-56.35
O=C(CC1CC1)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068084	0	37	-1.0	-48.83	321.26	-1.66	-50.49
COCC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068085	0	34	-1.0	-52.08	302.42	-3.73	-55.81
CCCC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068086	0	36	-1.0	-48.61	311.29	-2.30	-50.91
CC(C)CC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068087	0	39	-1.0	-48.11	328.02	-1.70	-49.81
CC1CC1C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068088	0	37	-1.0	-48.22	316.13	-1.64	-49.86
CCOCC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068089	0	37	-1.0	-52.04	324.27	-2.77	-54.81
CC(C)=CC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068090	0	37	-1.0	-48.42	319.02	-1.83	-50.25
CCCCC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068091	0	39	-1.0	-48.62	332.79	-1.52	-50.14
CC(C)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068092	0	36	-1.0	-49.73	309.83	-2.58	-52.31
CCC(C)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068093	0	39	-1.0	-48.36	325.46	-2.04	-50.40
COC(C)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068094	0	37	-1.0	-51.63	318.34	-3.20	-54.83
C=CCCC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068095	0	37	-1.0	-48.43	324.10	-1.74	-50.17
CC(C#N)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068096	0	34	-1.0	-53.84	310.56	-2.92	-56.76
CC=C(C)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068097	0	37	-1.0	-51.02	313.55	-2.26	-53.28
CCC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068098	0	33	-1.0	-48.93	289.69	-3.12	-52.05
COCCC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068099	0	37	-1.0	-48.70	323.37	-4.05	-52.75
CC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068100	0	30	-1.0	-49.14	270.10	-3.92	-53.06
O=C(NCC1(O)CN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005068101	0	34	-1.0	-48.85	300.27	-2.31	-51.16
O=C(NCC1(O)CN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005068102	0	37	-1.0	-48.73	316.41	-1.84	-50.57
NC(=O)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068103	0	31	-1.0	-48.73	282.90	-7.88	-56.61
CC(C)(C)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068104	0	39	-1.0	-48.50	321.74	-2.39	-50.89
CC1(C(=O)N2CC(O)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005068105	0	37	-1.0	-48.91	314.94	-2.22	-51.13
C[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068106	0	37	-1.0	-48.88	321.60	-1.70	-50.58
C[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068107	0	37	-1.0	-48.80	322.22	-1.76	-50.56
O=C(CO)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068108	0	31	-1.0	-53.63	280.17	-6.01	-59.64
O=C(NCC1(O)CN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005068109	0	35	-1.0	-53.14	309.11	-3.52	-56.66
O=C(NCC1(O)CN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005068110	0	35	-1.0	-49.02	306.86	-4.58	-53.60
O=C(C=CCO)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068111	0	35	-1.0	-52.13	314.23	-5.89	-58.02
CCC=CC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068112	0	37	-1.0	-49.06	324.21	-1.77	-50.83
C#CCCC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068113	0	35	-1.0	-48.77	317.07	-1.78	-50.55
C=CC(O)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068114	0	35	-1.0	-49.15	310.04	-4.82	-53.97
CC(O)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068115	0	34	-1.0	-49.32	296.63	-5.41	-54.73
CC(=O)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068116	0	32	-1.0	-47.67	289.83	-4.08	-51.75
O=C(NCC1(O)CN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005068117	0	34	-1.0	-47.33	305.54	-2.40	-49.73
CC=C(F)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068118	0	34	-1.0	-47.24	306.60	-2.60	-49.84
CC(CO)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068119	0	37	-1.0	-48.78	317.92	-5.98	-54.76
O=C(NCC1(O)CN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005068120	0	35	-1.0	-48.00	312.97	-5.85	-53.85
O=C(NCC1(O)CN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005068121	0	35	-1.0	-49.87	307.84	-2.01	-51.88
CC=CC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068122	0	34	-1.0	-49.12	303.74	-2.54	-51.66
O=C(C=CCF)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068123	0	34	-1.0	-50.62	309.31	-2.41	-53.03
C[C@H](O)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068125	0	34	-1.0	-53.02	298.12	-5.44	-58.46
CON=CC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068126	0	34	-1.0	-51.37	312.65	-4.57	-55.94
C[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068127	0	37	-1.0	-48.88	321.60	-1.70	-50.58
CC(C)(O)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068128	0	37	-1.0	-47.31	317.14	-5.54	-52.85
C=C(C)CC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068129	0	37	-1.0	-48.79	324.22	-1.92	-50.71
C=CCC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068130	0	34	-1.0	-49.00	302.61	-2.59	-51.59
C[NH+](C)CC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068131	0	39	0.0	-69.19	325.38	-2.35	-71.54
CN(C)CC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068131	1	38	-1.0	-49.10	323.30	-4.74	-53.84
N#CCC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068132	0	31	-1.0	-56.49	289.16	-3.44	-59.93
O=C(NCC1(O)CN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005068133	0	34	-1.0	-52.90	304.91	-2.26	-55.16
O=C(CCF)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068134	0	33	-1.0	-47.97	296.38	-2.91	-50.88
CO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068135	0	37	-1.0	-51.63	318.34	-3.19	-54.82
C[C@@H](O)C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068136	0	34	-1.0	-49.29	296.63	-5.41	-54.70
C=C1CC1C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068137	0	35	-1.0	-49.01	313.87	-1.72	-50.73
CC1=CC1C(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068138	0	35	-1.0	-49.91	315.79	-1.72	-51.63
C=CC(=O)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068139	0	31	-1.0	-49.47	281.41	-3.41	-52.88
CCC(=O)NC1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005068140	0	39	-1.0	-62.16	309.83	1.94	-60.22
CC(=O)NC1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005068141	0	36	-1.0	-44.94	271.75	2.42	-42.52
O=C(CO)NC1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005068142	0	37	-1.0	-46.33	283.52	0.32	-46.01
CCC(=O)N1CC2CC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005068143	0	39	-1.0	-46.26	292.81	3.24	-43.02
CC(=O)N1CC2CC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005068144	0	36	-1.0	-54.80	291.17	1.24	-53.56
O=C(CO)N1CC2CC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005068145	0	37	-1.0	-48.92	283.31	0.35	-48.57
C=CC(=O)N1CC2CC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005068146	0	37	-1.0	-55.14	303.76	1.79	-53.35
CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068147	0	38	-1.0	-53.24	316.85	1.48	-51.76
CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068148	0	35	-1.0	-47.60	294.85	0.52	-47.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC2)C1	REAL250005068149	0	39	-1.0	-53.25	326.69	2.18	-51.07
COCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068150	0	39	-1.0	-56.70	329.39	0.86	-55.84
CCCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068151	0	41	-1.0	-47.11	337.76	2.13	-44.98
CC(C)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068152	0	41	-1.0	-46.93	335.89	1.88	-45.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(N)=O)C1	REAL250005068153	0	36	-1.0	-46.56	309.12	-3.30	-49.86
C=CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068154	0	39	-1.0	-53.19	329.76	2.02	-51.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)C1	REAL250005068155	0	36	-1.0	-58.41	307.14	-1.42	-59.83
CC(O)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068156	0	39	-1.0	-47.87	322.42	-0.96	-48.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCF)C1	REAL250005068157	0	38	-1.0	-46.49	322.85	1.51	-44.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H](C)O)C1	REAL250005068158	0	39	-1.0	-53.49	322.81	-0.90	-54.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H](C)O)C1	REAL250005068159	0	39	-1.0	-47.70	322.65	-0.93	-48.63
CC=CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068160	0	39	-1.0	-47.53	329.66	1.98	-45.55
COCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068161	0	39	-1.0	-52.37	326.66	0.65	-51.72
CCCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068162	0	41	-1.0	-49.04	335.44	2.05	-46.99
CC(C)C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068163	0	41	-1.0	-48.80	333.49	1.96	-46.84
CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068164	0	38	-1.0	-49.22	313.94	1.29	-47.93
CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068165	0	35	-1.0	-49.47	293.35	0.48	-48.99
CC(NC(=O)C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068166	0	39	-1.0	-48.85	323.94	1.97	-46.88
CC(NC(=O)C(N)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068167	0	36	-1.0	-47.78	309.29	-3.37	-51.15
CC(NC(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068168	0	36	-1.0	-53.93	304.41	-1.63	-55.56
CC(O)C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068169	0	39	-1.0	-53.36	325.08	-0.87	-54.23
CC(=O)C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068170	0	37	-1.0	-46.72	316.20	0.43	-46.29
CC=CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068171	0	39	-1.0	-49.02	327.51	1.91	-47.11
CC(NC(=O)[C@H](C)O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068172	0	39	-1.0	-50.08	324.74	-0.85	-50.93
C=CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068173	0	39	-1.0	-49.37	326.85	1.83	-47.54
CC(NC(=O)CC#N)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068174	0	36	-1.0	-58.76	313.40	0.97	-57.79
CC(NC(=O)CCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068175	0	38	-1.0	-48.74	320.53	1.42	-47.32
CC(NC(=O)[C@@H](C)O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068176	0	39	-1.0	-50.14	324.74	-0.84	-50.98
C=CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068177	0	36	-1.0	-49.27	305.79	1.03	-48.24
CCC(=O)N1CC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068178	0	38	-1.0	-53.31	310.38	1.14	-52.17
CC(=O)N1CC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068179	0	35	-1.0	-53.33	288.10	0.27	-53.06
CC1CN(C(=O)C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068180	0	39	-1.0	-50.32	328.04	1.95	-48.37
COCC(=O)N1CC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068181	0	39	-1.0	-53.62	324.77	0.44	-53.18
CCCC(=O)N1CC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068182	0	41	-1.0	-51.66	334.15	1.86	-49.80
CC(C)C(=O)N1CC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068183	0	41	-1.0	-53.26	326.09	1.52	-51.74
CC1CN(C(=O)C(N)=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068184	0	36	-1.0	-49.69	302.62	-3.52	-53.21
C=CCC(=O)N1CC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068185	0	39	-1.0	-50.39	324.96	1.58	-48.81
CC1CN(C(=O)CO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068186	0	36	-1.0	-55.36	302.52	-1.84	-57.20
CC(O)C(=O)N1CC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068187	0	39	-1.0	-54.53	317.28	-1.20	-55.73
CC1CN(C(=O)CCF)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068188	0	38	-1.0	-48.86	318.64	1.19	-47.67
C[C@@H](O)C(=O)N1CC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068189	0	39	-1.0	-51.74	323.30	-1.12	-52.86
C[C@H](O)C(=O)N1CC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068190	0	39	-1.0	-51.22	323.95	-1.08	-52.30
CC=CC(=O)N1CC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068191	0	39	-1.0	-50.47	324.55	1.62	-48.85
COCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068192	0	39	-1.0	-51.35	325.90	0.45	-50.90
CCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068193	0	41	-1.0	-48.21	334.67	1.86	-46.35
CC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068194	0	41	-1.0	-47.96	332.72	1.75	-46.21
CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068195	0	38	-1.0	-48.41	313.17	1.10	-47.31
CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068196	0	35	-1.0	-48.70	292.89	0.28	-48.42
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC1	REAL250005068197	0	39	-1.0	-47.29	319.57	1.69	-45.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(N)=O	REAL250005068198	0	36	-1.0	-49.02	308.52	-3.58	-52.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CO	REAL250005068199	0	36	-1.0	-52.81	303.65	-1.83	-54.64
CC(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068200	0	39	-1.0	-49.07	323.97	-1.05	-50.12
CC(=O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068201	0	37	-1.0	-47.67	315.44	0.23	-47.44
CC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068202	0	39	-1.0	-48.36	326.75	1.69	-46.67
C[C@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068203	0	39	-1.0	-52.20	324.31	-1.07	-53.27
C=CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068204	0	39	-1.0	-48.60	326.09	1.64	-46.96
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC#N	REAL250005068205	0	36	-1.0	-57.01	312.64	0.75	-56.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCF	REAL250005068206	0	38	-1.0	-48.10	319.77	1.23	-46.87
C[C@@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068207	0	39	-1.0	-49.08	323.99	-1.06	-50.14
C=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068208	0	36	-1.0	-48.59	305.03	0.81	-47.78
CC(=O)NC[C@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068209	0	41	-1.0	-48.01	333.47	0.98	-47.03
CC(=O)NC[C@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068210	0	41	-1.0	-48.01	333.47	0.98	-47.03
CCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068211	0	36	-1.0	-47.55	291.31	1.83	-45.72
CC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068212	0	33	-1.0	-55.67	272.82	1.03	-54.64
O=C(C1=CC(=O)[N-]O1)N1C[C@H]2CN(C(=O)C3CC3)C[C@H]2C1	REAL250005068213	0	37	-1.0	-47.40	300.92	2.56	-44.84
COCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068214	0	37	-1.0	-50.49	304.04	1.22	-49.27
CCCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068215	0	39	-1.0	-47.35	313.02	2.60	-44.75
CC(C)C(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068216	0	39	-1.0	-47.19	306.97	2.19	-45.00
NC(=O)C(=O)N1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL250005068217	0	34	-1.0	-52.19	286.75	-2.88	-55.07
C=CCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068218	0	37	-1.0	-47.71	304.23	2.36	-45.35
O=C(CO)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068219	0	34	-1.0	-52.08	281.79	-1.06	-53.14
CC(O)C(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068220	0	37	-1.0	-52.13	300.71	-0.50	-52.63
O=C(CCF)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068221	0	36	-1.0	-47.03	298.11	1.97	-45.06
C[C@@H](O)C(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068222	0	37	-1.0	-53.93	300.63	-0.52	-54.45
C[C@H](O)C(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068223	0	37	-1.0	-48.11	298.64	-0.45	-48.56
CC=CC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068224	0	37	-1.0	-55.66	306.02	2.35	-53.31
COCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068225	0	37	-1.0	-50.49	304.04	1.22	-49.27
CCCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068226	0	39	-1.0	-47.35	313.02	2.60	-44.75
CC(C)C(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068227	0	39	-1.0	-47.19	306.97	2.19	-45.00
CCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068228	0	36	-1.0	-47.55	291.31	1.83	-45.72
CC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068229	0	33	-1.0	-55.67	272.82	1.03	-54.64
O=C(C1=CC(=O)[N-]O1)N1C[C@H]2CN(C(=O)C3CC3)C[C@H]2C1	REAL250005068230	0	37	-1.0	-47.40	300.92	2.56	-44.84
NC(=O)C(=O)N1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL250005068231	0	34	-1.0	-52.19	286.75	-2.88	-55.07
O=C(CO)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068232	0	34	-1.0	-52.08	281.79	-1.06	-53.14
CC(O)C(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068233	0	37	-1.0	-52.13	300.71	-0.50	-52.63
CC(=O)C(=O)N1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL250005068234	0	35	-1.0	-50.63	293.29	0.93	-49.70
CC=CC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068235	0	37	-1.0	-55.66	306.02	2.35	-53.31
C[C@H](O)C(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068236	0	37	-1.0	-48.11	298.64	-0.45	-48.56
C=CCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068237	0	37	-1.0	-47.71	304.23	2.36	-45.35
N#CCC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068238	0	34	-1.0	-56.11	290.79	1.49	-54.62
O=C(CCF)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068239	0	36	-1.0	-47.03	298.11	1.97	-45.06
C[C@@H](O)C(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068240	0	37	-1.0	-53.93	300.63	-0.52	-54.45
C=CC(=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005068241	0	34	-1.0	-53.38	285.62	1.52	-51.86
CC(=O)NCC[NH+]1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068242	0	41	0.0	-78.31	330.90	-0.03	-78.34
CC(=O)NCCN1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068242	1	40	-1.0	-50.57	327.82	-2.40	-52.97
CC(=O)NC1CC[NH+](CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068243	0	41	0.0	-74.91	331.04	0.00	-74.91
CC(=O)NC1CCN(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068243	1	40	-1.0	-49.00	328.94	-2.25	-51.25
CCC(=O)NC1(CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068244	0	39	-1.0	-44.99	309.09	-1.80	-46.79
CC(=O)NC1(CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068245	0	36	-1.0	-45.26	288.91	-2.55	-47.81
O=C(CO)NC1(CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068246	0	37	-1.0	-48.12	299.68	-4.79	-52.91
CCC(=O)N1CCCC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068247	0	39	-1.0	-51.94	312.02	-1.56	-53.50
CC(=O)N1CCCC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068248	0	36	-1.0	-52.11	291.71	-2.33	-54.44
O=C(CO)N1CCCC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068249	0	37	-1.0	-57.03	302.72	-4.42	-61.45
C=CC(=O)N1CCCC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068250	0	37	-1.0	-52.70	303.01	-1.84	-54.54
CCC(=O)N1CCCC2C1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005068251	0	39	-1.0	-47.93	303.07	2.64	-45.29
CC(=O)N1CCCC2C1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005068252	0	36	-1.0	-48.07	281.07	1.76	-46.31
O=C(CO)N1CCCC2C1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005068253	0	37	-1.0	-52.49	293.54	-0.37	-52.86
CCC(=O)N1CCC2C1CCCN2C(=O)C1=CC(=O)[N-]O1	REAL250005068254	0	39	-1.0	-46.42	302.73	2.56	-43.86
CC(=O)N1CCC2C1CCCN2C(=O)C1=CC(=O)[N-]O1	REAL250005068255	0	36	-1.0	-46.85	282.42	1.75	-45.10
O=C(CO)N1CCC2C1CCCN2C(=O)C1=CC(=O)[N-]O1	REAL250005068256	0	37	-1.0	-50.83	293.25	-0.40	-51.23
C=CC(=O)N1CCC2C1CCCN2C(=O)C1=CC(=O)[N-]O1	REAL250005068257	0	37	-1.0	-46.36	293.55	2.31	-44.05
CCC(=O)N1CCC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005068258	0	39	-1.0	-52.84	308.53	2.61	-50.23
CC(=O)N1CCC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005068259	0	36	-1.0	-50.11	286.45	2.15	-47.96
O=C(CO)N1CCC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005068260	0	37	-1.0	-58.13	291.70	-0.62	-58.75
CCC(=O)N1C[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005068261	0	39	-1.0	-46.62	306.11	2.61	-44.01
CC(=O)N1C[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005068262	0	36	-1.0	-45.02	283.03	1.76	-43.26
O=C(CO)N1C[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005068263	0	37	-1.0	-50.54	296.51	-0.27	-50.81
C=CC(=O)N1C[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005068264	0	37	-1.0	-47.48	296.60	2.13	-45.35
CCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068265	0	38	-1.0	-48.66	318.11	1.37	-47.29
CC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068266	0	35	-1.0	-51.94	297.73	0.56	-51.38
O=C(NCCC1CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005068267	0	39	-1.0	-48.71	327.98	2.10	-46.61
COCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068268	0	39	-1.0	-55.04	330.76	0.74	-54.30
CCCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068269	0	41	-1.0	-48.43	339.61	2.14	-46.29
CC(C)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068270	0	41	-1.0	-48.38	337.48	1.88	-46.50
NC(=O)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068271	0	36	-1.0	-48.84	310.34	-3.37	-52.21
C=CCC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068272	0	39	-1.0	-48.71	331.03	1.91	-46.80
O=C(CO)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068273	0	36	-1.0	-56.75	308.51	-1.54	-58.29
CC(O)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068274	0	39	-1.0	-53.70	324.53	-1.00	-54.70
O=C(CCF)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068275	0	38	-1.0	-47.60	324.53	1.51	-46.09
C[C@@H](O)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068276	0	39	-1.0	-49.94	324.00	-1.01	-50.95
C[C@H](O)C(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068277	0	39	-1.0	-49.49	324.08	-0.97	-50.46
CC=CC(=O)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068278	0	39	-1.0	-51.96	330.87	1.92	-50.04
COCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068279	0	39	-1.0	-56.65	327.66	0.54	-56.11
CCCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068280	0	41	-1.0	-53.06	336.44	1.94	-51.12
CC(C)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068281	0	41	-1.0	-52.93	334.49	1.85	-51.08
CCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068282	0	38	-1.0	-53.29	314.94	1.18	-52.11
CC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068283	0	35	-1.0	-53.40	294.34	0.37	-53.03
O=C(NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005068284	0	39	-1.0	-52.94	325.87	1.97	-50.97
NC(=O)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068285	0	36	-1.0	-50.63	310.28	-3.50	-54.13
O=C(CO)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068286	0	36	-1.0	-58.29	305.41	-1.74	-60.03
CC(O)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068287	0	39	-1.0	-53.89	325.74	-0.96	-54.85
CC(=O)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068288	0	37	-1.0	-49.79	317.20	0.31	-49.48
CC=CC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068289	0	39	-1.0	-53.22	328.51	1.78	-51.44
C[C@H](O)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068290	0	39	-1.0	-54.13	325.95	-0.95	-55.08
C=CCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068291	0	39	-1.0	-53.46	327.85	1.72	-51.74
N#CCC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068292	0	36	-1.0	-62.65	314.40	0.84	-61.81
O=C(CCF)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068293	0	38	-1.0	-52.20	321.53	1.31	-50.89
C[C@@H](O)C(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068294	0	39	-1.0	-54.14	325.93	-0.94	-55.08
C=CC(=O)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068295	0	36	-1.0	-53.39	306.79	0.90	-52.49
CCC(=O)N[C@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068296	0	41	-1.0	-49.64	334.04	1.06	-48.58
CC(=O)N[C@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068297	0	38	-1.0	-49.93	313.72	0.25	-49.68
O=C(CO)N[C@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068298	0	39	-1.0	-54.51	324.50	-1.86	-56.37
CCC(=O)NC[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068299	0	41	-1.0	-48.74	334.03	1.08	-47.66
CC(=O)NC[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068300	0	38	-1.0	-49.14	313.72	0.26	-48.88
O=C(CO)NC[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068301	0	39	-1.0	-53.34	324.50	-1.84	-55.18
C=CC(=O)NC[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068302	0	39	-1.0	-48.99	325.88	0.78	-48.21
CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005068303	0	39	-1.0	-48.92	313.49	2.62	-46.30
CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005068304	0	36	-1.0	-49.28	293.18	1.82	-47.46
O=C(CO)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005068305	0	37	-1.0	-55.09	303.63	-0.37	-55.46
CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005068306	0	39	-1.0	-48.86	314.82	2.70	-46.16
CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005068307	0	36	-1.0	-49.15	292.80	1.84	-47.31
O=C(CO)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005068308	0	37	-1.0	-53.17	305.29	-0.20	-53.37
C=CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005068309	0	37	-1.0	-49.22	305.59	2.40	-46.82
CCC(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068310	0	36	-1.0	-46.32	289.79	-0.14	-46.46
CC(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068311	0	33	-1.0	-46.60	269.48	-0.96	-47.56
O=C(NCC1COCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005068312	0	37	-1.0	-48.42	300.09	0.41	-48.01
COCC(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068313	0	37	-1.0	-49.13	302.51	-0.76	-49.89
CCCC(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068314	0	39	-1.0	-46.30	311.29	0.63	-45.67
CC(C)C(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068315	0	39	-1.0	-46.23	309.34	0.53	-45.70
NC(=O)C(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068316	0	34	-1.0	-48.19	285.13	-4.80	-52.99
C=CCC(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068317	0	37	-1.0	-46.23	302.70	0.40	-45.83
O=C(CO)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068318	0	34	-1.0	-50.37	280.26	-3.05	-53.42
CC(O)C(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068319	0	37	-1.0	-50.31	300.92	-2.30	-52.61
C[C@@H](O)C(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068320	0	37	-1.0	-45.85	300.37	-2.27	-48.12
C[C@H](O)C(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068321	0	37	-1.0	-49.95	300.36	-2.49	-52.44
CC=CC(=O)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068322	0	37	-1.0	-47.08	303.36	0.47	-46.61
COCC(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068323	0	37	-1.0	-54.26	306.51	-1.72	-55.98
CCCC(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068324	0	39	-1.0	-50.82	315.29	-0.21	-51.03
CC(C)C(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068325	0	39	-1.0	-51.93	311.20	0.46	-51.47
CCC(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068326	0	36	-1.0	-50.94	293.79	-0.97	-51.91
CC(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068327	0	33	-1.0	-51.91	270.70	-0.94	-52.85
O=C(NCC1COCCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005068328	0	37	-1.0	-50.74	303.68	-0.25	-50.99
NC(=O)C(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068329	0	34	-1.0	-47.00	285.34	-4.97	-51.97
O=C(CO)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068330	0	34	-1.0	-56.02	284.26	-4.00	-60.02
CC(O)C(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068331	0	37	-1.0	-52.53	300.43	-2.56	-55.09
CC(=O)C(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068332	0	35	-1.0	-46.90	292.41	-1.17	-48.07
CC=CC(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068333	0	37	-1.0	-52.06	305.46	0.57	-51.49
C[C@H](O)C(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068334	0	37	-1.0	-51.43	300.28	-3.48	-54.91
C=CCC(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068335	0	37	-1.0	-51.07	306.70	-0.43	-51.50
N#CCC(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068336	0	34	-1.0	-60.92	293.25	-1.29	-62.21
C[C@@H](O)C(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068337	0	37	-1.0	-53.07	298.68	-2.65	-55.72
C=CC(=O)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068338	0	34	-1.0	-52.07	283.72	-0.38	-52.45
CCC(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068339	0	38	-1.0	-51.55	301.89	2.40	-49.15
CC(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068340	0	35	-1.0	-50.95	281.29	0.63	-50.32
O=C(NC[C@H]1CCCCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005068341	0	39	-1.0	-51.45	311.45	3.15	-48.30
COCC(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068342	0	39	-1.0	-54.38	315.58	0.72	-53.66
CCCC(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068343	0	41	-1.0	-51.60	322.75	3.17	-48.43
CC(C)C(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068344	0	41	-1.0	-51.54	318.75	2.83	-48.71
NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068345	0	36	-1.0	-47.03	294.02	-2.60	-49.63
C=CCC(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068346	0	39	-1.0	-51.35	314.13	2.97	-48.38
O=C(CO)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068347	0	36	-1.0	-56.06	293.33	-1.57	-57.63
CC(O)C(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068348	0	39	-1.0	-56.66	308.79	-0.22	-56.88
O=C(CCF)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068349	0	38	-1.0	-49.29	309.04	1.58	-47.71
C[C@@H](O)C(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068350	0	39	-1.0	-52.16	308.41	-0.18	-52.34
C[C@H](O)C(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068351	0	39	-1.0	-56.69	309.16	-0.22	-56.91
CC=CC(=O)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005068352	0	39	-1.0	-52.09	314.03	2.94	-49.15
COCC(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068353	0	39	-1.0	-52.18	311.38	1.46	-50.72
CCCC(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068354	0	41	-1.0	-49.18	320.16	2.85	-46.33
CC(C)C(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068355	0	41	-1.0	-49.25	318.21	2.76	-46.49
CCC(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068356	0	38	-1.0	-48.36	298.29	2.22	-46.14
CC(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068357	0	35	-1.0	-48.49	277.71	1.41	-47.08
O=C(NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005068358	0	39	-1.0	-50.68	308.88	2.79	-47.89
NC(=O)C(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068359	0	36	-1.0	-50.21	293.70	-2.62	-52.83
O=C(CO)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068360	0	36	-1.0	-53.48	289.13	-0.82	-54.30
CC(O)C(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068361	0	39	-1.0	-49.43	309.10	-0.13	-49.56
CC(=O)C(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068362	0	37	-1.0	-49.11	300.10	1.16	-47.95
CC=CC(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068363	0	39	-1.0	-50.99	311.93	2.65	-48.34
C[C@H](O)C(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068364	0	39	-1.0	-52.13	309.08	-0.13	-52.26
C=CCC(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068365	0	39	-1.0	-49.63	311.54	2.63	-47.00
N#CCC(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068366	0	36	-1.0	-54.64	298.12	1.77	-52.87
O=C(CCF)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068367	0	38	-1.0	-48.93	305.15	2.16	-46.77
C[C@@H](O)C(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068368	0	39	-1.0	-49.42	309.09	-0.14	-49.56
C=CC(=O)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068369	0	36	-1.0	-50.83	290.21	1.76	-49.07
CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068370	0	35	-1.0	-49.33	295.78	-0.14	-49.47
COCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068371	0	39	-1.0	-49.17	329.45	-1.07	-50.24
CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068372	0	32	-1.0	-49.65	275.47	-0.95	-50.60
O=C(NC1(CNC(=O)C2CC2)CCC1)C1=CC(=O)[N-]O1	REAL250005068373	0	36	-1.0	-49.76	306.60	0.32	-49.44
O=C(NC1(CNC(=O)C2CCC2)CCC1)C1=CC(=O)[N-]O1	REAL250005068374	0	39	-1.0	-49.09	322.46	1.13	-47.96
O=C(CC1CC1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068375	0	39	-1.0	-49.27	326.67	1.40	-47.87
CC(C)(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068376	0	38	-1.0	-50.05	322.24	0.52	-49.53
COCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068377	0	36	-1.0	-52.26	308.50	-0.78	-53.04
CCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068378	0	38	-1.0	-49.18	317.28	0.62	-48.56
CC(C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068379	0	41	-1.0	-48.83	334.01	1.21	-47.62
CC1CC1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068380	0	39	-1.0	-49.39	327.63	1.29	-48.10
CCOCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068381	0	39	-1.0	-52.32	330.36	0.18	-52.14
CC(C)=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068382	0	39	-1.0	-48.84	325.25	1.16	-47.68
CSCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068383	0	36	-1.0	-51.28	318.84	0.28	-51.00
CCCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068384	0	41	-1.0	-49.23	338.78	1.40	-47.83
CC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068385	0	38	-1.0	-49.09	315.33	0.52	-48.57
CCC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068386	0	41	-1.0	-49.65	333.75	0.87	-48.78
COC(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068387	0	39	-1.0	-52.45	327.78	-0.33	-52.78
C=CCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068388	0	39	-1.0	-49.32	330.09	1.18	-48.14
CC=C(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068389	0	39	-1.0	-50.73	324.32	0.89	-49.84
CC1(C(=O)NCC2(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL250005068390	0	39	-1.0	-49.42	324.92	0.94	-48.48
C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068391	0	39	-1.0	-49.39	327.62	1.30	-48.09
CCC(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068392	0	38	-1.0	-51.35	323.55	0.66	-50.69
O=C(CCCF)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068393	0	38	-1.0	-51.38	323.87	0.76	-50.62
C[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068394	0	39	-1.0	-49.46	328.57	1.01	-48.45
NC(=O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068395	0	33	-1.0	-48.70	291.13	-4.82	-53.52
CC(C)(C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068396	0	41	-1.0	-49.23	334.21	1.09	-48.14
C=CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068397	0	36	-1.0	-49.74	308.69	0.40	-49.34
C[NH+](C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068398	0	41	0.0	-65.43	331.37	0.57	-64.86
CN(C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068398	1	40	-1.0	-49.84	329.28	-1.81	-51.65
C=CC(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068399	0	37	-1.0	-50.20	319.79	-1.73	-51.93
O=C(NC1(CNC(=O)C2COC2)CCC1)C1=CC(=O)[N-]O1	REAL250005068400	0	37	-1.0	-49.41	312.94	-1.55	-50.96
CO[C@H](C)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068401	0	39	-1.0	-52.93	328.59	-0.39	-53.32
CCC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068402	0	39	-1.0	-49.53	330.44	1.22	-48.31
O=C(CO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068404	0	33	-1.0	-53.80	286.25	-3.06	-56.86
CC(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068405	0	36	-1.0	-51.31	306.88	-2.59	-53.90
O=C(NC1(CNC(=O)C2CC2F)CCC1)C1=CC(=O)[N-]O1	REAL250005068406	0	36	-1.0	-49.55	313.05	0.71	-48.84
O=C(CCF)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068407	0	35	-1.0	-48.38	302.37	0.00	-48.38
O=C(C=CCF)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068408	0	36	-1.0	-51.65	315.54	0.57	-51.08
C#CCCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068409	0	37	-1.0	-49.40	323.06	1.14	-48.26
O=C(NC1(CNC(=O)C2CCO2)CCC1)C1=CC(=O)[N-]O1	REAL250005068410	0	37	-1.0	-53.75	314.26	-0.52	-54.27
CC(C)(O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068411	0	39	-1.0	-53.50	325.32	-1.58	-55.08
CC1=CC1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068412	0	37	-1.0	-49.77	321.15	1.34	-48.43
C[C@@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068413	0	36	-1.0	-52.20	306.77	-2.29	-54.49
O=C(C=CCO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068414	0	37	-1.0	-52.99	320.46	-2.91	-55.90
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1)C1=CCC1	REAL250005068415	0	37	-1.0	-50.12	316.06	1.23	-48.89
CON=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068416	0	36	-1.0	-51.72	318.25	-1.58	-53.30
O=C(NC1(CNC(=O)C2(F)CC2)CCC1)C1=CC(=O)[N-]O1	REAL250005068417	0	36	-1.0	-49.03	313.54	0.38	-48.65
CC=C(F)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068418	0	36	-1.0	-47.58	314.32	0.52	-47.06
CC(CO)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068419	0	39	-1.0	-49.46	326.21	-3.06	-52.52
C[C@H](O)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068420	0	36	-1.0	-51.29	306.87	-2.59	-53.88
C=C1CC1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068421	0	37	-1.0	-49.44	319.86	1.20	-48.24
CC(CF)C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068422	0	38	-1.0	-48.49	321.61	0.36	-48.13
C=C(C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068423	0	39	-1.0	-49.19	330.30	1.05	-48.14
CC=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068424	0	36	-1.0	-49.64	309.36	0.46	-49.18
C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068425	0	39	-1.0	-49.39	327.62	1.30	-48.09
O=C(NC1(CNC(=O)C2(O)CC2)CCC1)C1=CC(=O)[N-]O1	REAL250005068426	0	37	-1.0	-50.98	316.34	-2.86	-53.84
O=C(CC1CC1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068427	0	39	-1.0	-48.10	326.59	1.41	-46.69
CC(C)(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068428	0	38	-1.0	-45.02	322.52	0.53	-44.49
COCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068429	0	36	-1.0	-51.12	308.37	-0.83	-51.95
CCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068430	0	38	-1.0	-47.78	317.14	0.64	-47.14
CC(C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068431	0	41	-1.0	-47.44	333.87	1.21	-46.23
CC1CC1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068432	0	39	-1.0	-47.85	327.54	1.31	-46.54
CCOCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068433	0	39	-1.0	-51.26	330.22	0.13	-51.13
CC(C)=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068434	0	39	-1.0	-47.13	324.83	1.24	-45.89
CSCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068435	0	36	-1.0	-50.29	318.71	0.30	-49.99
CCCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068436	0	41	-1.0	-47.91	338.64	1.42	-46.49
CC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068437	0	38	-1.0	-47.93	314.99	0.53	-47.40
CCC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068438	0	41	-1.0	-47.87	333.11	1.18	-46.69
COC(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068439	0	39	-1.0	-50.71	327.60	-0.06	-50.77
C=CCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068440	0	39	-1.0	-47.45	330.04	1.20	-46.25
CC(C#N)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068441	0	36	-1.0	-55.13	314.87	0.18	-54.95
CC=C(C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068442	0	39	-1.0	-48.19	324.11	1.17	-47.02
CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068443	0	35	-1.0	-47.96	295.65	-0.13	-48.09
COCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068444	0	39	-1.0	-48.01	329.40	-1.06	-49.07
CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068445	0	32	-1.0	-48.10	275.44	-0.95	-49.05
O=C(NCC1(NC(=O)C2CC2)CCC1)C1=CC(=O)[N-]O1	REAL250005068446	0	36	-1.0	-47.46	306.58	0.32	-47.14
O=C(NCC1(NC(=O)C2CCC2)CCC1)C1=CC(=O)[N-]O1	REAL250005068447	0	39	-1.0	-48.39	322.36	1.20	-47.19
NC(=O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068448	0	33	-1.0	-46.65	291.00	-4.81	-51.46
C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068449	0	39	-1.0	-47.36	327.96	1.00	-46.36
CCC(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068450	0	38	-1.0	-47.45	323.40	0.67	-46.78
O=C(CCCF)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068451	0	38	-1.0	-50.39	323.73	0.78	-49.61
C[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068452	0	39	-1.0	-47.84	327.67	1.28	-46.56
O=C(CO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068453	0	33	-1.0	-52.48	286.20	-3.13	-55.61
O=C(NCC1(NC(=O)C2CCO2)CCC1)C1=CC(=O)[N-]O1	REAL250005068454	0	37	-1.0	-52.41	314.68	-0.65	-53.06
O=C(NCC1(NC(=O)C2COC2)CCC1)C1=CC(=O)[N-]O1	REAL250005068455	0	37	-1.0	-48.18	312.96	-1.63	-49.81
O=C(C=CCO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068456	0	37	-1.0	-51.84	320.31	-2.87	-54.71
CCC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068457	0	39	-1.0	-47.95	330.30	1.25	-46.70
C#CCCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068458	0	37	-1.0	-48.20	323.01	1.16	-47.04
C=CC(O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068459	0	37	-1.0	-49.32	317.03	-1.61	-50.93
CC(O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068460	0	36	-1.0	-49.50	306.79	-2.34	-51.84
CC(=O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068461	0	34	-1.0	-45.81	298.47	-0.98	-46.79
CC=C(F)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068462	0	36	-1.0	-45.57	314.19	0.56	-45.01
CC(CO)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068463	0	39	-1.0	-47.94	325.58	-2.76	-50.70
O=C(NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1)C1=CCC1	REAL250005068464	0	37	-1.0	-48.65	316.12	1.15	-47.50
CC(CF)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068465	0	38	-1.0	-47.04	320.79	0.65	-46.39
CC=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068466	0	36	-1.0	-47.98	309.21	0.49	-47.49
O=C(C=CCF)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068467	0	36	-1.0	-50.58	315.39	0.61	-49.97
C[C@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068469	0	36	-1.0	-49.49	306.80	-2.36	-51.85
CON=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068470	0	36	-1.0	-51.08	318.10	-1.55	-52.63
C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068471	0	39	-1.0	-47.36	327.96	1.00	-46.36
C=C(C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068472	0	39	-1.0	-47.83	330.20	1.08	-46.75
C=CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068473	0	36	-1.0	-48.42	308.56	0.42	-48.00
C[NH+](C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068474	0	41	0.0	-64.93	331.23	0.59	-64.34
CN(C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068474	1	40	-1.0	-48.12	329.15	-1.80	-49.92
N#CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068475	0	33	-1.0	-56.35	295.19	-0.45	-56.80
O=C(NCC1(NC(=O)C2CC2F)CCC1)C1=CC(=O)[N-]O1	REAL250005068476	0	36	-1.0	-46.35	312.96	0.74	-45.61
O=C(CCF)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068477	0	35	-1.0	-47.27	302.32	0.01	-47.26
CO[C@H](C)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068478	0	39	-1.0	-50.83	327.90	-0.14	-50.97
C[C@@H](O)C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068479	0	36	-1.0	-48.10	306.11	-2.33	-50.43
C=C1CC1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068480	0	37	-1.0	-47.86	319.80	1.22	-46.64
CC1=CC1C(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068481	0	37	-1.0	-49.40	321.09	1.44	-47.96
C=CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068482	0	33	-1.0	-48.10	287.49	-0.41	-48.51
CCC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068483	0	36	-1.0	-49.00	302.88	-0.86	-49.86
CC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068484	0	33	-1.0	-48.37	280.85	-1.71	-50.08
O=C(NCC1CN(C(=O)C2CC2)CCO1)C1=CC(=O)[N-]O1	REAL250005068485	0	37	-1.0	-48.68	312.31	-0.07	-48.75
COCC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068486	0	37	-1.0	-51.91	315.60	-1.47	-53.38
CCCC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068487	0	39	-1.0	-48.69	324.38	-0.09	-48.78
CC(C)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068488	0	39	-1.0	-48.58	321.73	-0.34	-48.92
NC(=O)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068489	0	34	-1.0	-46.23	295.27	-5.72	-51.95
C=CCC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068490	0	37	-1.0	-48.93	315.79	-0.31	-49.24
O=C(CO)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068491	0	34	-1.0	-53.63	293.35	-3.75	-57.38
CC(O)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068492	0	37	-1.0	-49.62	309.22	-3.24	-52.86
C[C@@H](O)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068493	0	37	-1.0	-49.60	309.22	-3.25	-52.85
C[C@H](O)C(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068494	0	37	-1.0	-48.71	309.97	-3.21	-51.92
CC=CC(=O)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068495	0	37	-1.0	-48.86	315.33	-0.27	-49.13
COCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068496	0	37	-1.0	-49.32	312.68	-1.64	-50.96
CCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068497	0	39	-1.0	-46.25	321.46	-0.23	-46.48
CC(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068498	0	39	-1.0	-46.09	319.50	-0.33	-46.42
CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068499	0	36	-1.0	-46.46	299.96	-1.00	-47.46
CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068500	0	33	-1.0	-46.81	279.65	-1.81	-48.62
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C1CC1	REAL250005068501	0	37	-1.0	-46.16	310.19	-0.35	-46.51
NC(=O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068502	0	34	-1.0	-46.17	295.31	-5.66	-51.83
O=C(CO)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068503	0	34	-1.0	-50.90	290.43	-3.92	-54.82
CC(O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068504	0	37	-1.0	-47.07	310.75	-3.13	-50.20
CC(=O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068505	0	35	-1.0	-45.05	302.22	-1.85	-46.90
CC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068506	0	37	-1.0	-46.51	313.53	-0.39	-46.90
C[C@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068507	0	37	-1.0	-47.09	310.50	-3.07	-50.16
C=CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068508	0	37	-1.0	-46.60	312.87	-0.46	-47.06
N#CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068509	0	34	-1.0	-54.63	299.42	-1.33	-55.96
C[C@@H](O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068510	0	37	-1.0	-52.12	311.14	-3.16	-55.28
C=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005068511	0	34	-1.0	-46.70	291.81	-1.28	-47.98
CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068512	0	38	-1.0	-55.56	299.93	1.59	-53.97
CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068513	0	35	-1.0	-55.57	279.34	0.79	-54.78
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005068514	0	39	-1.0	-49.34	310.82	2.40	-46.94
COCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068515	0	39	-1.0	-59.12	312.65	0.96	-58.16
CCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068516	0	41	-1.0	-55.37	321.43	2.36	-53.01
CC(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068517	0	41	-1.0	-55.19	319.48	2.27	-52.92
NC(=O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068518	0	36	-1.0	-51.38	295.28	-3.09	-54.47
C=CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068519	0	39	-1.0	-55.75	312.84	2.14	-53.61
O=C(CO)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068520	0	36	-1.0	-60.83	290.40	-1.31	-62.14
CC(O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068521	0	39	-1.0	-56.56	310.73	-0.54	-57.10
O=C(CCF)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068522	0	38	-1.0	-53.95	306.52	1.73	-52.22
C[C@@H](O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068523	0	39	-1.0	-55.66	310.73	-0.54	-56.20
C[C@H](O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068524	0	39	-1.0	-50.78	311.09	-0.52	-51.30
CC=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068525	0	39	-1.0	-55.50	313.50	2.21	-53.29
COCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068526	0	39	-1.0	-53.36	317.41	1.21	-52.15
CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068527	0	41	-1.0	-53.82	324.45	2.56	-51.26
CC(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068528	0	41	-1.0	-46.89	322.91	2.31	-44.58
CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068529	0	38	-1.0	-53.93	302.96	1.79	-52.14
CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068530	0	35	-1.0	-54.14	282.64	1.01	-53.13
O=C(NC1CCCN(C(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL250005068531	0	39	-1.0	-54.21	314.71	2.58	-51.63
NC(=O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068532	0	36	-1.0	-46.65	295.26	-2.77	-49.42
O=C(CO)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068533	0	36	-1.0	-55.10	295.16	-1.07	-56.17
CC(O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068534	0	39	-1.0	-54.54	309.23	-0.64	-55.18
CC(=O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068535	0	37	-1.0	-48.50	302.84	1.03	-47.47
CC=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068536	0	39	-1.0	-45.97	317.41	2.43	-43.54
C[C@H](O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068537	0	39	-1.0	-50.45	308.17	-0.64	-51.09
C=CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068538	0	39	-1.0	-53.79	315.86	2.32	-51.47
N#CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068539	0	36	-1.0	-59.58	304.16	1.51	-58.07
O=C(CCF)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068540	0	38	-1.0	-52.05	309.54	1.93	-50.12
C[C@@H](O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068541	0	39	-1.0	-46.88	311.54	-0.54	-47.42
C=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068542	0	36	-1.0	-46.17	295.71	1.53	-44.64
CCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068543	0	37	-1.0	-56.02	307.85	2.56	-53.46
COCCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068544	0	41	-1.0	-55.17	341.52	1.63	-53.54
CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068545	0	34	-1.0	-56.18	287.54	1.77	-54.41
CN(CCCN(C)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068546	0	38	-1.0	-48.25	318.01	3.27	-44.98
CN(CCCN(C)C(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068547	0	41	-1.0	-47.99	332.74	3.74	-44.25
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005068548	0	41	-1.0	-48.23	338.52	4.08	-44.15
COCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068549	0	38	-1.0	-59.94	320.57	1.95	-57.99
CCCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068550	0	40	-1.0	-55.92	329.35	3.33	-52.59
CC(C)CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068551	0	43	-1.0	-55.35	346.07	3.92	-51.43
CC1CC1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068552	0	41	-1.0	-56.32	338.94	3.96	-52.36
CCOCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068553	0	41	-1.0	-60.03	342.43	2.91	-57.12
CC(C)=CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068554	0	41	-1.0	-47.79	336.23	3.83	-43.96
CCCCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068555	0	43	-1.0	-55.98	350.85	4.11	-51.87
CC(C)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068556	0	40	-1.0	-56.10	324.72	3.00	-53.10
CCC(C)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068557	0	43	-1.0	-56.25	340.61	3.57	-52.68
COC(C)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068558	0	41	-1.0	-51.09	336.51	2.45	-48.64
C=CCCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068559	0	41	-1.0	-55.59	342.16	3.89	-51.70
CC=C(C)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068560	0	41	-1.0	-57.54	333.60	3.44	-54.10
CN(CCCN(C)C(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068561	0	41	-1.0	-48.63	335.49	3.59	-45.04
C[C@@H]1C[C@H]1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068562	0	41	-1.0	-56.37	339.67	3.95	-52.42
C[C@H]1C[C@@H]1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068563	0	41	-1.0	-56.49	339.27	3.94	-52.55
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005068564	0	35	-1.0	-47.85	300.45	-2.09	-49.94
CN(CCCN(C)C(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005068565	0	43	-1.0	-56.79	337.08	3.25	-53.54
C=CCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068566	0	38	-1.0	-55.89	320.76	3.10	-52.79
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005068567	0	43	0.0	-71.35	343.44	3.24	-68.11
CN(C)CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068567	1	42	-1.0	-56.26	341.35	0.85	-55.41
C=CC(O)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068568	0	39	-1.0	-57.01	324.38	0.93	-56.08
CN(CCCN(C)C(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068569	0	39	-1.0	-48.45	323.63	1.00	-47.45
CO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068570	0	41	-1.0	-51.19	334.98	2.41	-48.78
CCC=CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068571	0	41	-1.0	-56.18	341.69	3.91	-52.27
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005068573	0	35	-1.0	-61.48	298.32	-0.34	-61.82
CC(O)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068574	0	38	-1.0	-49.31	315.25	0.24	-49.07
CN(CCCN(C)C(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005068575	0	38	-1.0	-53.69	325.08	3.38	-50.31
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005068576	0	37	-1.0	-54.37	314.44	2.70	-51.67
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005068577	0	38	-1.0	-58.11	326.79	3.27	-54.84
C#CCCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068578	0	39	-1.0	-55.56	335.13	3.84	-51.72
CN(CCCN(C)C(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005068579	0	39	-1.0	-52.68	324.78	2.09	-50.59
CN(CCCN(C)C(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005068580	0	41	-1.0	-62.38	328.27	0.55	-61.83
CC1=CC1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068581	0	39	-1.0	-56.92	332.65	3.99	-52.93
C[C@@H](O)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068582	0	38	-1.0	-48.57	313.27	0.19	-48.38
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005068583	0	39	-1.0	-59.89	331.70	-0.21	-60.10
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005068584	0	39	-1.0	-49.60	324.01	3.67	-45.93
CON=CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068585	0	38	-1.0	-59.15	329.49	1.10	-58.05
CN(CCCN(C)C(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068586	0	38	-1.0	-47.48	321.95	3.25	-44.23
CC=C(F)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068587	0	38	-1.0	-46.87	323.42	3.12	-43.75
CC(CO)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068588	0	41	-1.0	-55.75	333.07	-0.37	-56.12
C[C@H](O)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068589	0	38	-1.0	-56.11	314.79	0.22	-55.89
C=C1CC1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068590	0	39	-1.0	-56.24	331.14	3.87	-52.37
C=C(C)CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068591	0	41	-1.0	-55.77	342.37	3.75	-52.02
CC=CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068592	0	38	-1.0	-56.50	320.60	3.15	-53.35
C[C@@H]1C[C@H]1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068593	0	41	-1.0	-56.37	339.67	3.95	-52.42
CN(CCCN(C)C(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068594	0	39	-1.0	-47.09	329.21	0.00	-47.09
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC1	REAL250005068595	0	41	-1.0	-48.23	338.52	4.08	-44.15
COCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068596	0	38	-1.0	-59.94	320.57	1.95	-57.99
CCCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068597	0	40	-1.0	-55.92	329.35	3.33	-52.59
CC(C)CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068598	0	43	-1.0	-55.35	346.07	3.92	-51.43
CC1CC1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068599	0	41	-1.0	-56.32	338.94	3.96	-52.36
CCOCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068600	0	41	-1.0	-60.03	342.43	2.91	-57.12
CC(C)=CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068601	0	41	-1.0	-47.79	336.23	3.83	-43.96
CCCCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068602	0	43	-1.0	-55.98	350.85	4.11	-51.87
CC(C)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068603	0	40	-1.0	-56.10	324.72	3.00	-53.10
CCC(C)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068604	0	43	-1.0	-56.25	340.61	3.57	-52.68
COC(C)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068605	0	41	-1.0	-51.09	336.51	2.45	-48.64
C=CCCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068606	0	41	-1.0	-55.59	342.16	3.89	-51.70
CC(C#N)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068607	0	38	-1.0	-54.11	321.64	2.53	-51.58
CC=C(C)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068608	0	41	-1.0	-57.54	333.60	3.44	-54.10
CCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068609	0	37	-1.0	-56.02	307.85	2.56	-53.46
COCCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068610	0	41	-1.0	-55.17	341.52	1.63	-53.54
CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068611	0	34	-1.0	-56.18	287.54	1.77	-54.41
CN(CCCN(C)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068612	0	38	-1.0	-48.25	318.01	3.27	-44.98
CN(CCCN(C)C(=O)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068613	0	41	-1.0	-47.99	332.74	3.74	-44.25
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005068614	0	35	-1.0	-47.85	300.45	-2.09	-49.94
CN(CCCN(C)C(=O)C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005068615	0	43	-1.0	-56.79	337.08	3.25	-53.54
CN(CCCN(C)C(=O)C1(C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068616	0	41	-1.0	-48.63	335.49	3.59	-45.04
C[C@@H]1C[C@H]1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068617	0	41	-1.0	-56.37	339.67	3.95	-52.42
C[C@H]1C[C@@H]1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068618	0	41	-1.0	-56.49	339.27	3.94	-52.55
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005068619	0	35	-1.0	-61.48	298.32	-0.34	-61.82
CN(CCCN(C)C(=O)C1CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005068620	0	39	-1.0	-52.68	324.78	2.09	-50.59
CN(CCCN(C)C(=O)C1COC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068621	0	39	-1.0	-48.45	323.63	1.00	-47.45
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CCO	REAL250005068622	0	39	-1.0	-59.89	331.70	-0.21	-60.10
CCC=CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068623	0	41	-1.0	-56.18	341.69	3.91	-52.27
C#CCCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068624	0	39	-1.0	-55.56	335.13	3.84	-51.72
C=CC(O)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068625	0	39	-1.0	-57.01	324.38	0.93	-56.08
CC(O)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068626	0	38	-1.0	-49.31	315.25	0.24	-49.07
CC(=O)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068627	0	36	-1.0	-51.70	308.64	1.74	-49.96
CN(CCCN(C)C(=O)C1(F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068628	0	38	-1.0	-47.48	321.95	3.25	-44.23
CC=C(F)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068629	0	38	-1.0	-46.87	323.42	3.12	-43.75
CC(CO)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068630	0	41	-1.0	-55.75	333.07	-0.37	-56.12
CN(CCCN(C)C(=O)C1(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005068631	0	39	-1.0	-47.09	329.21	0.00	-47.09
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CCC1	REAL250005068632	0	39	-1.0	-49.60	324.01	3.67	-45.93
CC=CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068633	0	38	-1.0	-56.50	320.60	3.15	-53.35
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CCF	REAL250005068634	0	38	-1.0	-58.11	326.79	3.27	-54.84
C[C@H](O)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068636	0	38	-1.0	-56.11	314.79	0.22	-55.89
CON=CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068637	0	38	-1.0	-59.15	329.49	1.10	-58.05
C[C@@H]1C[C@H]1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068638	0	41	-1.0	-56.37	339.67	3.95	-52.42
CN(CCCN(C)C(=O)C(C)(C)O)C(=O)C1=CC(=O)[N-]O1	REAL250005068639	0	41	-1.0	-62.38	328.27	0.55	-61.83
C=C(C)CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068640	0	41	-1.0	-55.77	342.37	3.75	-52.02
C=CCC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068641	0	38	-1.0	-55.89	320.76	3.10	-52.79
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005068642	0	43	0.0	-71.35	343.44	3.24	-68.11
CN(C)CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068642	1	42	-1.0	-56.26	341.35	0.85	-55.41
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005068643	0	35	-1.0	-64.99	307.31	2.24	-62.75
CN(CCCN(C)C(=O)C1CC1F)C(=O)C1=CC(=O)[N-]O1	REAL250005068644	0	38	-1.0	-53.69	325.08	3.38	-50.31
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005068645	0	37	-1.0	-54.37	314.44	2.70	-51.67
CO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068646	0	41	-1.0	-51.19	334.98	2.41	-48.78
C[C@@H](O)C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068647	0	38	-1.0	-48.57	313.27	0.19	-48.38
C=C1CC1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068648	0	39	-1.0	-56.24	331.14	3.87	-52.37
CC1=CC1C(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068649	0	39	-1.0	-56.92	332.65	3.99	-52.93
C=CC(=O)N(C)CCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005068650	0	35	-1.0	-56.38	298.88	2.27	-54.11
CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005068651	0	37	-1.0	-51.64	306.07	0.32	-51.32
CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005068652	0	34	-1.0	-51.95	285.76	-0.46	-52.41
O=C(CO)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005068653	0	35	-1.0	-56.27	296.48	-2.59	-58.86
CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL250005068654	0	37	-1.0	-47.57	306.01	0.34	-47.23
CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL250005068655	0	34	-1.0	-47.62	285.70	-0.47	-48.09
O=C(CO)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL250005068656	0	35	-1.0	-51.57	296.48	-2.54	-54.11
C=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL250005068657	0	35	-1.0	-55.94	298.37	0.16	-55.78
CC(=O)NCC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL250005068658	0	37	-1.0	-51.01	316.31	-0.80	-51.81
CC(=O)N1CC2(C1)CCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL250005068659	0	37	-1.0	-53.31	316.63	-0.78	-54.09
CCC(=O)NC1COC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005068660	0	37	-1.0	-47.41	314.28	-0.77	-48.18
CC(=O)NC1COC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005068661	0	34	-1.0	-57.46	294.56	-1.59	-59.05
O=C(CO)NC1COC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005068662	0	35	-1.0	-51.80	304.75	-3.69	-55.49
CCC(=O)N1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)CO2	REAL250005068663	0	37	-1.0	-50.49	316.97	-0.66	-51.15
CC(=O)N1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)CO2	REAL250005068664	0	34	-1.0	-51.19	295.82	-1.42	-52.61
O=C(CO)N1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)CO2	REAL250005068665	0	35	-1.0	-55.01	307.44	-3.56	-58.57
C=CC(=O)N1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)CO2	REAL250005068666	0	35	-1.0	-51.37	307.73	-0.91	-52.28
CCC(=O)N1CCC(CC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068667	0	41	-1.0	-45.76	315.58	2.56	-43.20
CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(C)=O)CC1	REAL250005068668	0	38	-1.0	-45.80	293.45	1.73	-44.07
CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CO)CC1	REAL250005068669	0	39	-1.0	-55.49	305.93	-0.31	-55.80
CCC(=O)NC1(CC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068670	0	41	-1.0	-48.32	312.39	2.38	-45.94
CCC1(NC(C)=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068671	0	38	-1.0	-45.76	292.51	1.70	-44.06
CCC1(NC(=O)CO)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068672	0	39	-1.0	-52.92	302.86	-0.66	-53.58
C=CC(=O)NC1(CC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068673	0	39	-1.0	-48.60	304.43	1.99	-46.61
CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005068674	0	39	-1.0	-53.46	304.42	2.36	-51.10
CC(=O)N1CCC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005068675	0	39	-1.0	-62.56	306.26	2.64	-59.92
CCC(=O)N1CCCC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068676	0	39	-1.0	-51.94	312.02	-1.56	-53.50
CC(=O)N1CCCC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068677	0	36	-1.0	-52.11	291.71	-2.33	-54.44
O=C(CO)N1CCCC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068678	0	37	-1.0	-57.03	302.72	-4.42	-61.45
CCC(=O)NC1(CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068679	0	39	-1.0	-44.99	309.09	-1.80	-46.79
CC(=O)NC1(CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068680	0	36	-1.0	-45.26	288.91	-2.55	-47.81
O=C(CO)NC1(CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068681	0	37	-1.0	-48.12	299.68	-4.79	-52.91
C=CC(=O)NC1(CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068682	0	37	-1.0	-45.98	301.05	-2.01	-47.99
CCC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005068683	0	39	-1.0	-47.47	313.56	-0.90	-48.37
CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005068684	0	36	-1.0	-47.52	293.30	-1.72	-49.24
O=C(CO)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005068685	0	37	-1.0	-51.86	304.03	-3.96	-55.82
CCC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005068686	0	39	-1.0	-48.97	313.55	-0.90	-49.87
CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005068687	0	36	-1.0	-49.17	293.26	-1.72	-50.89
O=C(CO)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005068688	0	37	-1.0	-52.92	304.06	-3.79	-56.71
C=CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL250005068689	0	37	-1.0	-49.21	305.40	-1.20	-50.41
CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068690	0	35	-1.0	-54.29	289.72	0.81	-53.48
COCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068691	0	39	-1.0	-52.90	323.39	-0.12	-53.02
CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068692	0	32	-1.0	-54.44	268.41	-0.03	-54.47
O=C(N[C@@H]1CCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005068693	0	36	-1.0	-49.86	299.51	1.54	-48.32
O=C(N[C@@H]1CCCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005068694	0	39	-1.0	-49.73	316.03	2.05	-47.68
O=C(CC1CC1)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068695	0	39	-1.0	-50.20	320.67	2.35	-47.85
CC(C)(F)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068696	0	38	-1.0	-46.75	309.65	1.19	-45.56
COCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068697	0	36	-1.0	-57.84	302.44	0.19	-57.65
CCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068698	0	38	-1.0	-49.86	311.22	1.57	-48.29
CC(C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068699	0	41	-1.0	-49.48	327.94	2.18	-47.30
CC1CC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068700	0	39	-1.0	-49.85	321.06	2.21	-47.64
CCOCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068701	0	39	-1.0	-58.02	324.30	1.15	-56.87
CC(C)=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068702	0	39	-1.0	-53.54	318.53	2.07	-51.47
CSCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068703	0	36	-1.0	-56.88	312.78	1.28	-55.60
CCCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068704	0	41	-1.0	-49.92	332.72	2.36	-47.56
CC(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068705	0	38	-1.0	-49.88	309.54	1.34	-48.54
CCC(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068706	0	41	-1.0	-49.76	328.19	1.99	-47.77
COC(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068707	0	39	-1.0	-48.60	318.71	0.65	-47.95
C=CCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068708	0	39	-1.0	-54.04	324.03	2.13	-51.91
CC=C(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068709	0	39	-1.0	-55.69	314.45	1.70	-53.99
CC1(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005068710	0	39	-1.0	-45.94	318.02	1.85	-44.09
C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068711	0	39	-1.0	-49.81	320.88	2.21	-47.60
CCC(F)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068712	0	38	-1.0	-50.79	316.39	1.58	-49.21
O=C(CCCF)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068713	0	38	-1.0	-52.87	317.81	1.71	-51.16
C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068714	0	39	-1.0	-49.84	321.06	2.21	-47.63
NC(=O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068715	0	33	-1.0	-48.55	282.52	-4.00	-52.55
CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068716	0	41	-1.0	-49.94	319.39	1.46	-48.48
C=CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068717	0	36	-1.0	-54.43	302.63	1.35	-53.08
C[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068718	0	41	0.0	-73.69	325.31	1.48	-72.21
CN(C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068718	1	40	-1.0	-54.47	323.19	-0.93	-55.40
C=CC(O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068719	0	37	-1.0	-53.76	306.01	-0.85	-54.61
O=C(N[C@@H]1CCCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005068720	0	37	-1.0	-50.09	306.67	-0.73	-50.82
CO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068721	0	39	-1.0	-48.60	318.71	0.65	-47.95
CCC=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068722	0	39	-1.0	-54.54	323.31	2.13	-52.41
O=C(CO)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068724	0	33	-1.0	-59.74	280.18	-2.09	-61.83
CC(O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068725	0	36	-1.0	-50.07	297.07	-1.59	-51.66
O=C(N[C@@H]1CCCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005068726	0	36	-1.0	-49.12	306.24	1.62	-47.50
O=C(CCF)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068727	0	35	-1.0	-52.19	296.31	0.95	-51.24
O=C(C=CCF)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068728	0	36	-1.0	-56.86	308.40	1.49	-55.37
C#CCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068729	0	37	-1.0	-53.48	317.00	2.09	-51.39
O=C(N[C@@H]1CCCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005068730	0	37	-1.0	-54.55	305.90	0.22	-54.33
CC(C)(O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068731	0	39	-1.0	-54.83	310.61	-1.23	-56.06
CC1=CC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068732	0	37	-1.0	-50.33	314.33	2.24	-48.09
C[C@@H](O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068733	0	36	-1.0	-47.99	296.92	-1.56	-49.55
O=C(C=CCO)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068734	0	37	-1.0	-58.54	313.32	-1.99	-60.53
O=C(N[C@@H]1CCCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005068735	0	37	-1.0	-56.08	305.31	1.88	-54.20
CON=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068736	0	36	-1.0	-55.99	311.10	-0.67	-56.66
O=C(N[C@@H]1CCCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005068737	0	36	-1.0	-44.53	305.93	1.53	-43.00
CC=C(F)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068738	0	36	-1.0	-49.86	307.05	1.39	-48.47
CC(CO)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068739	0	39	-1.0	-46.62	319.01	-2.01	-48.63
C[C@H](O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068740	0	36	-1.0	-50.91	296.08	-1.57	-52.48
C=C1CC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068741	0	37	-1.0	-49.59	313.03	2.11	-47.48
CC(CF)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068742	0	38	-1.0	-48.33	313.96	1.36	-46.97
C=C(C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068743	0	39	-1.0	-53.69	324.28	2.01	-51.68
CC=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068744	0	36	-1.0	-54.70	302.22	1.37	-53.33
C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068745	0	39	-1.0	-49.81	320.88	2.21	-47.60
O=C(N[C@@H]1CCCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005068746	0	37	-1.0	-47.19	309.51	-1.63	-48.82
O=C(CC1CC1)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068747	0	39	-1.0	-54.55	317.80	2.16	-52.39
CC(C)(F)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068748	0	38	-1.0	-52.07	312.57	1.36	-50.71
COCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068749	0	36	-1.0	-57.88	299.58	-0.01	-57.89
CCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068750	0	38	-1.0	-54.21	307.99	1.25	-52.96
CC(C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068751	0	41	-1.0	-53.77	325.06	1.96	-51.81
CC1CC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068752	0	39	-1.0	-54.20	318.39	1.92	-52.28
CCOCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068753	0	39	-1.0	-58.13	321.07	0.81	-57.32
CC(C)=CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068754	0	39	-1.0	-53.02	316.30	1.86	-51.16
CSCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068755	0	36	-1.0	-57.07	309.92	1.06	-56.01
CCCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068756	0	41	-1.0	-54.29	329.49	2.03	-52.26
CC(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068757	0	38	-1.0	-53.88	306.44	1.30	-52.58
CCC(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068758	0	41	-1.0	-54.03	324.51	1.93	-52.10
COC(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068759	0	39	-1.0	-57.96	319.35	0.68	-57.28
C=CCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068760	0	39	-1.0	-54.15	320.80	1.81	-52.34
CC(C#N)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068761	0	36	-1.0	-62.44	305.83	0.92	-61.52
CC=C(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068762	0	39	-1.0	-54.45	315.18	1.93	-52.52
CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068763	0	35	-1.0	-54.29	286.86	0.62	-53.67
COCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068764	0	39	-1.0	-53.43	320.16	-0.45	-53.88
CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068765	0	32	-1.0	-54.38	266.55	-0.21	-54.59
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005068766	0	36	-1.0	-54.13	297.01	1.25	-52.88
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005068767	0	39	-1.0	-54.38	313.15	1.88	-52.50
NC(=O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068768	0	33	-1.0	-49.62	282.18	-4.04	-53.66
CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068769	0	41	-1.0	-53.99	325.27	1.86	-52.13
CC1(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005068770	0	39	-1.0	-54.07	314.83	1.88	-52.19
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068771	0	39	-1.0	-54.19	318.38	1.92	-52.27
CCC(F)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068772	0	38	-1.0	-54.97	314.61	1.42	-53.55
O=C(CCCF)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068773	0	38	-1.0	-57.44	314.58	1.39	-56.05
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068774	0	39	-1.0	-54.09	318.56	1.96	-52.13
O=C(CO)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068775	0	33	-1.0	-59.80	277.03	-2.41	-62.21
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005068776	0	37	-1.0	-59.28	305.75	0.15	-59.13
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005068777	0	37	-1.0	-54.33	304.21	-0.87	-55.20
O=C(C=CCO)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068778	0	37	-1.0	-58.24	311.17	-2.26	-60.50
CCC=CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068779	0	39	-1.0	-54.16	321.15	1.86	-52.30
C#CCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068780	0	37	-1.0	-53.93	313.77	1.77	-52.16
C=CC(O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068781	0	37	-1.0	-54.03	308.21	-0.79	-54.82
CC(O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068782	0	36	-1.0	-55.11	297.65	-1.51	-56.62
CC(=O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068783	0	34	-1.0	-49.06	289.61	-0.23	-49.29
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005068784	0	36	-1.0	-50.65	303.39	1.31	-49.34
CC=C(F)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068785	0	36	-1.0	-49.89	305.40	1.31	-48.58
CC(CO)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068786	0	39	-1.0	-53.36	316.62	-2.13	-55.49
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005068787	0	37	-1.0	-52.79	305.70	-1.67	-54.46
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005068788	0	37	-1.0	-54.90	307.33	1.91	-52.99
CC(CF)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068789	0	38	-1.0	-52.34	312.02	1.29	-51.05
CC=CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068790	0	36	-1.0	-54.31	300.07	1.10	-53.21
O=C(C=CCF)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068791	0	36	-1.0	-56.68	306.25	1.22	-55.46
C[C@H](O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068793	0	36	-1.0	-55.15	297.67	-1.53	-56.68
CON=CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068794	0	36	-1.0	-56.79	309.36	-0.78	-57.57
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068795	0	39	-1.0	-54.19	318.38	1.92	-52.27
CC(C)(O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068796	0	39	-1.0	-51.68	316.98	-2.11	-53.79
C=C(C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068797	0	39	-1.0	-54.14	321.02	1.68	-52.46
C=CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068798	0	36	-1.0	-54.44	299.77	1.16	-53.28
C[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068799	0	41	0.0	-74.39	322.42	1.33	-73.06
CN(C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068799	1	40	-1.0	-54.64	320.34	-1.05	-55.69
N#CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068800	0	33	-1.0	-64.58	286.03	0.18	-64.40
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005068801	0	36	-1.0	-58.04	303.62	1.47	-56.57
O=C(CCF)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068802	0	35	-1.0	-52.85	293.08	0.62	-52.23
CO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068803	0	39	-1.0	-58.08	319.00	0.55	-57.53
C[C@@H](O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068804	0	36	-1.0	-54.63	297.62	-1.51	-56.14
C=C1CC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068805	0	37	-1.0	-53.86	310.95	1.95	-51.91
CC1=CC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068806	0	37	-1.0	-54.43	312.02	1.97	-52.46
C=CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068807	0	33	-1.0	-54.27	278.68	0.35	-53.92
CCC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068808	0	35	-1.0	-45.50	293.40	1.00	-44.50
COCCC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068809	0	39	-1.0	-45.57	327.07	0.07	-45.50
CC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068810	0	32	-1.0	-44.83	274.18	-0.25	-45.08
CC1CN(C(=O)C2CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068811	0	36	-1.0	-46.57	303.08	1.70	-44.87
CC1CN(C(=O)C2CCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068812	0	39	-1.0	-44.15	321.82	1.83	-42.32
CC1CN(C(=O)CC2CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068813	0	39	-1.0	-44.28	327.00	2.15	-42.13
CC1CN(C(=O)C(C)(C)F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068814	0	38	-1.0	-43.68	312.05	1.41	-42.27
COCC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068815	0	36	-1.0	-48.19	305.97	0.44	-47.75
CCCC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068816	0	38	-1.0	-43.81	318.35	1.44	-42.37
CC(C)CC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068817	0	41	-1.0	-44.85	331.63	2.35	-42.50
CC1CC1C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068818	0	39	-1.0	-44.13	328.14	2.07	-42.06
CCOCC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068819	0	39	-1.0	-48.25	327.97	1.34	-46.91
CC(C)=CC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068820	0	39	-1.0	-46.28	321.08	2.19	-44.09
CSCC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068821	0	36	-1.0	-47.22	316.31	1.49	-45.73
CCCCC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068822	0	41	-1.0	-45.32	336.39	2.54	-42.78
CC(C)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068823	0	38	-1.0	-45.09	312.72	1.49	-43.60
CCC(C)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068824	0	41	-1.0	-46.50	325.77	1.91	-44.59
COC(C)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068825	0	39	-1.0	-46.26	324.63	0.55	-45.71
C=CCCC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068826	0	39	-1.0	-45.06	327.71	2.32	-42.74
CC=C(C)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068827	0	39	-1.0	-44.57	329.26	1.80	-42.77
CC1CN(C(=O)C2(C)CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068828	0	39	-1.0	-44.29	324.49	1.66	-42.63
C[C@@H]1C[C@H]1C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068829	0	39	-1.0	-45.52	324.81	2.41	-43.11
CCC(F)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068830	0	38	-1.0	-44.46	323.14	1.40	-43.06
CC1CN(C(=O)CCCF)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068831	0	38	-1.0	-47.24	321.49	1.90	-45.34
C[C@H]1C[C@@H]1C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068832	0	39	-1.0	-44.04	328.23	2.08	-41.96
CC1CN(C(=O)C(N)=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068833	0	33	-1.0	-47.13	288.45	-4.07	-51.20
CC1CN(C(=O)C(C)(C)C)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068834	0	41	-1.0	-45.44	321.53	1.69	-43.75
C=CCC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068835	0	36	-1.0	-45.51	306.31	1.54	-43.97
CC1CN(C(=O)C[NH+](C)C)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068836	0	41	0.0	-63.80	328.98	1.69	-62.11
CC1CN(C(=O)CN(C)C)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068836	1	40	-1.0	-45.80	326.90	-0.70	-46.50
C=CC(O)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068837	0	37	-1.0	-46.42	309.69	-0.64	-47.06
CC1CN(C(=O)C2COC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068838	0	37	-1.0	-45.72	310.64	-0.47	-46.19
CO[C@H](C)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068839	0	39	-1.0	-53.44	321.20	0.85	-52.59
CCC=CC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068840	0	39	-1.0	-46.93	326.16	2.25	-44.68
CC1CN(C(=O)CO)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068842	0	33	-1.0	-49.73	283.87	-1.90	-51.63
CC(O)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068843	0	36	-1.0	-44.79	303.03	-1.65	-46.44
CC1CN(C(=O)C2CC2F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068844	0	36	-1.0	-49.01	307.97	1.83	-47.18
CC1CN(C(=O)CCF)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068845	0	35	-1.0	-44.90	299.99	1.13	-43.77
CC1CN(C(=O)C=CCF)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068846	0	36	-1.0	-48.88	311.26	1.61	-47.27
C#CCCC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068847	0	37	-1.0	-45.71	320.68	2.27	-43.44
CC1CN(C(=O)C2CCO2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068848	0	37	-1.0	-50.83	310.81	0.45	-50.38
CC1CN(C(=O)C(C)(C)O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068849	0	39	-1.0	-44.50	318.14	-1.49	-45.99
CC1=CC1C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068850	0	37	-1.0	-45.84	321.35	2.05	-43.79
C[C@@H](O)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068851	0	36	-1.0	-47.86	302.64	-1.78	-49.64
CC1CN(C(=O)C=CCO)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068852	0	37	-1.0	-50.14	316.18	-1.87	-52.01
CC1CN(C(=O)C2=CCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068853	0	37	-1.0	-46.61	309.14	2.06	-44.55
CON=CC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068854	0	36	-1.0	-49.63	313.97	-0.56	-50.19
CC1CN(C(=O)C2(F)CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068855	0	36	-1.0	-45.36	306.63	1.58	-43.78
CC=C(F)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068856	0	36	-1.0	-44.36	312.17	1.16	-43.20
CC(CO)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068857	0	39	-1.0	-47.52	318.22	-2.03	-49.55
C[C@H](O)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068858	0	36	-1.0	-44.73	302.97	-1.68	-46.41
C=C1CC1C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068859	0	37	-1.0	-46.96	316.48	2.25	-44.71
CC(CF)C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068860	0	38	-1.0	-45.98	313.62	1.40	-44.58
C=C(C)CC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068861	0	39	-1.0	-45.51	327.96	2.19	-43.32
CC=CC(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068862	0	36	-1.0	-47.00	305.07	1.49	-45.51
C[C@@H]1C[C@H]1C(=O)N1CC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068863	0	39	-1.0	-45.52	324.81	2.41	-43.11
CC1CN(C(=O)C2(O)CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068864	0	37	-1.0	-45.40	310.96	-1.51	-46.91
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC1CC1	REAL250005068865	0	39	-1.0	-53.30	323.96	2.02	-51.28
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C(C)(C)F	REAL250005068866	0	38	-1.0	-51.70	319.55	1.14	-50.56
COCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068867	0	36	-1.0	-56.87	305.81	-0.17	-57.04
CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068868	0	38	-1.0	-53.11	314.59	1.24	-51.87
CC(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068869	0	41	-1.0	-52.78	331.31	1.82	-50.96
CC1CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068870	0	39	-1.0	-53.02	324.99	1.91	-51.11
CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068871	0	39	-1.0	-56.97	327.67	0.79	-56.18
CC(C)=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068872	0	39	-1.0	-52.14	322.77	1.77	-50.37
CSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068873	0	36	-1.0	-56.12	316.15	0.90	-55.22
CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068874	0	41	-1.0	-53.36	336.09	2.02	-51.34
CC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068875	0	38	-1.0	-52.82	312.64	1.13	-51.69
CCC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068876	0	41	-1.0	-53.16	330.76	1.78	-51.38
COC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068877	0	39	-1.0	-57.02	325.60	0.53	-56.49
C=CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068878	0	39	-1.0	-53.28	327.40	1.80	-51.48
CC(C#N)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068879	0	36	-1.0	-61.62	312.07	0.75	-60.87
CC=C(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068880	0	39	-1.0	-53.29	321.39	1.77	-51.52
CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068881	0	35	-1.0	-53.27	293.09	0.47	-52.80
COCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068882	0	39	-1.0	-52.45	326.76	-0.46	-52.91
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068883	0	32	-1.0	-51.15	270.17	0.01	-51.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC1	REAL250005068884	0	36	-1.0	-50.14	300.19	1.59	-48.55
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CCC1	REAL250005068885	0	39	-1.0	-50.50	320.69	1.77	-48.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C(N)=O	REAL250005068886	0	33	-1.0	-49.01	288.44	-4.19	-53.20
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C(C)(C)C	REAL250005068887	0	41	-1.0	-52.75	331.46	1.71	-51.04
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1(C)CC1	REAL250005068888	0	39	-1.0	-49.81	322.16	1.87	-47.94
C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068889	0	39	-1.0	-50.85	322.19	2.29	-48.56
CCC(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068890	0	38	-1.0	-54.69	320.86	1.27	-53.42
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CCCF	REAL250005068891	0	38	-1.0	-56.25	321.18	1.38	-54.87
C[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068892	0	39	-1.0	-52.44	324.85	1.91	-50.53
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CO	REAL250005068893	0	33	-1.0	-58.48	283.56	-2.45	-60.93
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CCO1	REAL250005068894	0	37	-1.0	-55.76	310.50	0.03	-55.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1COC1	REAL250005068895	0	37	-1.0	-50.85	311.31	-1.00	-51.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C=CCO	REAL250005068896	0	37	-1.0	-57.26	317.76	-2.29	-59.55
CCC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068897	0	39	-1.0	-53.08	327.75	1.83	-51.25
C#CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068898	0	37	-1.0	-52.97	320.37	1.75	-51.22
C=CC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068899	0	37	-1.0	-52.69	314.44	-0.94	-53.63
CC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068900	0	36	-1.0	-53.20	303.89	-1.67	-54.87
CC(=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068901	0	34	-1.0	-48.39	295.83	-0.40	-48.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1(F)CC1	REAL250005068902	0	36	-1.0	-48.49	307.06	1.69	-46.80
CC=C(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068903	0	36	-1.0	-49.04	311.63	1.14	-47.90
CC(CO)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068904	0	39	-1.0	-52.35	323.22	-2.15	-54.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1(O)CC1	REAL250005068905	0	37	-1.0	-50.62	308.51	-1.47	-52.09
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CCC1	REAL250005068906	0	37	-1.0	-51.47	315.00	1.84	-49.63
CC(CF)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068907	0	38	-1.0	-51.59	318.43	1.26	-50.33
CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068908	0	36	-1.0	-53.11	306.66	1.08	-52.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C=CCF	REAL250005068909	0	36	-1.0	-55.81	312.85	1.19	-54.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CN=[N+]=[N-]	REAL250005068910	0	34	-1.0	-55.89	302.19	-3.58	-59.47
C[C@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068911	0	36	-1.0	-58.04	304.23	-1.69	-59.73
CON=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068912	0	36	-1.0	-55.84	315.55	-0.97	-56.81
C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068913	0	39	-1.0	-50.85	322.19	2.29	-48.56
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C(C)(C)O	REAL250005068914	0	39	-1.0	-50.32	323.57	-2.11	-52.43
C=C(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068915	0	39	-1.0	-53.09	327.61	1.67	-51.42
C=CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068916	0	36	-1.0	-53.63	306.00	1.01	-52.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[NH+](C)C	REAL250005068917	0	41	0.0	-71.80	328.68	1.19	-70.61
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CN(C)C	REAL250005068917	1	40	-1.0	-53.47	326.59	-1.21	-54.68
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC#N	REAL250005068918	0	33	-1.0	-63.40	292.55	0.14	-63.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC1F	REAL250005068919	0	36	-1.0	-54.74	304.81	1.66	-53.08
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CCF	REAL250005068920	0	35	-1.0	-51.90	299.68	0.61	-51.29
CO[C@H](C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068921	0	39	-1.0	-56.70	325.53	0.53	-56.17
C[C@@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068922	0	36	-1.0	-53.01	303.78	-1.66	-54.67
C=C1CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068923	0	37	-1.0	-52.80	317.22	1.81	-50.99
CC1=CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068924	0	37	-1.0	-53.56	318.64	1.95	-51.61
C=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068925	0	33	-1.0	-53.16	284.94	0.18	-52.98
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005068926	0	41	-1.0	-47.71	318.40	2.26	-45.45
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL250005068927	0	38	-1.0	-47.86	297.95	1.35	-46.51
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)CO	REAL250005068928	0	39	-1.0	-52.20	308.87	-0.65	-52.85
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005068929	0	41	-1.0	-45.34	321.34	2.45	-42.89
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005068930	0	38	-1.0	-45.72	299.28	1.58	-44.14
CC1(C)CN(C(=O)CO)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068931	0	39	-1.0	-49.69	311.77	-0.44	-50.13
C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL250005068932	0	39	-1.0	-45.58	312.08	2.16	-43.42
CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005068933	0	38	-1.0	-49.49	310.43	-0.31	-49.80
CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005068934	0	38	-1.0	-48.47	302.91	-0.78	-49.25
CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068935	0	39	-1.0	-47.21	315.58	-1.41	-48.62
CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068936	0	36	-1.0	-48.85	294.28	-2.23	-51.08
O=C(CO)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068937	0	37	-1.0	-51.68	306.03	-4.31	-55.99
CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068938	0	39	-1.0	-49.31	312.45	-1.67	-50.98
CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068939	0	36	-1.0	-49.65	292.14	-2.48	-52.13
O=C(CO)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068940	0	37	-1.0	-53.93	302.92	-4.60	-58.53
C=CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068941	0	37	-1.0	-49.40	304.30	-1.96	-51.36
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005068942	0	38	-1.0	-48.13	301.06	1.10	-47.03
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005068943	0	35	-1.0	-48.40	282.16	0.38	-48.02
CC1CC(NC(=O)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068944	0	39	-1.0	-47.91	311.58	1.88	-46.03
COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005068945	0	39	-1.0	-51.26	314.01	0.59	-50.67
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005068946	0	41	-1.0	-47.95	322.55	1.86	-46.09
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005068947	0	41	-1.0	-47.79	320.84	1.90	-45.89
CC1CC(NC(=O)C(N)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068948	0	36	-1.0	-47.11	297.78	-3.60	-50.71
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005068949	0	39	-1.0	-48.32	313.97	1.64	-46.68
CC1CC(NC(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068950	0	36	-1.0	-52.82	291.76	-1.69	-54.51
CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005068951	0	39	-1.0	-49.16	313.23	-1.07	-50.23
CC1CC(NC(=O)CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005068952	0	38	-1.0	-47.52	307.65	1.23	-46.29
C[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005068953	0	39	-1.0	-48.48	311.85	-1.03	-49.51
C[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005068954	0	39	-1.0	-48.54	313.56	-0.95	-49.49
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005068955	0	39	-1.0	-48.01	316.01	1.69	-46.32
COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068956	0	39	-1.0	-46.94	312.67	1.03	-45.91
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068957	0	41	-1.0	-45.60	327.18	2.14	-43.46
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068958	0	41	-1.0	-44.53	321.44	1.84	-42.69
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068959	0	38	-1.0	-44.42	299.95	1.82	-42.60
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068960	0	35	-1.0	-44.85	279.64	1.03	-43.82
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1	REAL250005068961	0	39	-1.0	-45.60	315.62	2.10	-43.50
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(N)=O	REAL250005068962	0	36	-1.0	-45.02	296.84	-3.49	-48.51
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005068963	0	36	-1.0	-48.47	290.42	-1.25	-49.72
CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068964	0	39	-1.0	-45.32	310.62	-1.11	-46.43
CC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068965	0	37	-1.0	-44.69	305.28	0.55	-44.14
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068966	0	39	-1.0	-45.05	316.75	1.98	-43.07
C[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068967	0	39	-1.0	-45.33	310.46	-1.10	-46.43
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068968	0	39	-1.0	-44.48	312.86	2.36	-42.12
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC#N	REAL250005068969	0	36	-1.0	-51.80	299.41	1.50	-50.30
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCF	REAL250005068970	0	38	-1.0	-45.09	312.27	1.50	-43.59
C[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068971	0	39	-1.0	-45.72	310.34	-1.12	-46.84
C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005068972	0	36	-1.0	-45.26	295.03	1.10	-44.16
CCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068973	0	34	-1.0	-53.19	294.15	-0.59	-53.78
COCCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068974	0	38	-1.0	-52.36	327.83	-1.51	-53.87
C[C@@H](CCNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005068975	0	35	-1.0	-52.99	304.67	0.18	-52.81
C[C@@H](CCNC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005068976	0	38	-1.0	-52.91	320.88	0.68	-52.23
C[C@@H](CCNC(=O)C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005068977	0	41	-1.0	-53.09	337.93	1.30	-51.79
C[C@@H](CCNC(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005068978	0	38	-1.0	-53.44	325.09	0.95	-52.49
C[C@@H](CCNC(=O)C(C)(C)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005068979	0	37	-1.0	-50.14	320.97	0.07	-50.07
C[C@@H](CCNC(=O)C(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005068980	0	34	-1.0	-48.77	306.00	-0.39	-49.16
COCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068981	0	35	-1.0	-56.69	306.87	-1.22	-57.91
CCCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068982	0	37	-1.0	-53.05	315.65	0.18	-52.87
C[C@@H](CCNC(=O)C1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005068983	0	35	-1.0	-53.05	313.77	-0.27	-53.32
CC(=O)NCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068984	0	38	-1.0	-53.34	332.83	-2.91	-56.25
CC(C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068985	0	40	-1.0	-52.56	332.38	0.77	-51.79
C[C@@H](CCNC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068986	0	38	-1.0	-53.03	326.05	0.87	-52.16
CCOCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068987	0	38	-1.0	-56.75	328.73	-0.26	-57.01
CC(C)=CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068988	0	38	-1.0	-52.19	323.47	0.73	-51.46
C[C@@H](CCNC(=O)C1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005068989	0	39	-1.0	-57.37	330.17	-0.02	-57.39
CSCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068990	0	35	-1.0	-55.87	317.22	-0.16	-56.03
CC(C)CCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068991	0	43	-1.0	-53.05	354.72	1.47	-51.58
C[C@@H](CCNC(=O)C1=CC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005068992	0	36	-1.0	-56.36	316.66	-0.48	-56.84
C[C@@H](CCNC(=O)C1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005068993	0	35	-1.0	-57.32	312.93	-0.31	-57.63
CCCCCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068994	0	43	-1.0	-53.05	358.65	1.74	-51.31
C[C@@H](CCNC(=O)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068995	0	43	-1.0	-51.69	347.35	1.29	-50.40
CCCCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068996	0	40	-1.0	-53.13	337.15	0.96	-52.17
CC(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068997	0	37	-1.0	-52.91	313.70	0.09	-52.82
CCC(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068998	0	40	-1.0	-52.94	331.82	0.73	-52.21
CCC(CC)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005068999	0	43	-1.0	-52.90	352.82	1.26	-51.64
C[C@@H](CCNC(=O)C1=CC=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069000	0	35	-1.0	-53.35	311.36	-1.79	-55.14
CCOC(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069001	0	41	-1.0	-56.62	347.72	0.49	-56.13
C[C@@H](CCNC(=O)C1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069002	0	35	-1.0	-54.48	311.65	-1.85	-56.33
COCCCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069003	0	41	-1.0	-56.09	349.32	-0.75	-56.84
C[C@@H](CCNC(=O)C1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069004	0	34	-1.0	-52.78	308.25	-1.03	-53.81
CCC=C(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069005	0	41	-1.0	-53.38	342.85	1.47	-51.91
COC(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069006	0	38	-1.0	-56.74	326.66	-0.51	-57.25
CC(C)OCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069007	0	41	-1.0	-56.80	349.00	0.46	-56.34
CCCOCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069008	0	41	-1.0	-56.60	350.23	0.54	-56.06
C[C@@H](CCNC(=O)C1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069009	0	39	-1.0	-53.00	328.10	-1.33	-54.33
CCC(OC)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069010	0	41	-1.0	-55.40	347.87	0.32	-55.08
COC(C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069011	0	41	-1.0	-54.12	346.96	0.02	-54.10
C=CCCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069012	0	38	-1.0	-52.96	328.46	0.74	-52.22
CCOCCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069013	0	41	-1.0	-52.33	349.68	-0.55	-52.88
COCC(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069014	0	41	-1.0	-52.06	346.53	-0.80	-52.86
C=CCOCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069015	0	39	-1.0	-57.23	341.63	0.31	-56.92
C[C@@H](CCNC(=O)C1=COC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069016	0	34	-1.0	-52.80	308.56	-3.68	-56.48
CCCC(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069017	0	43	-1.0	-53.03	353.32	1.49	-51.54
C[C@@H](CCNC(=O)CCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069018	0	41	-1.0	-53.16	347.27	1.76	-51.40
C[C@@H](CCNC(=O)C1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069019	0	39	-1.0	-52.86	329.69	1.18	-51.68
C[C@@H](CCNC(=O)CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069020	0	41	-1.0	-53.41	342.06	1.47	-51.94
CC(C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005069021	0	41	-1.0	-52.63	343.65	1.58	-51.05
CC=C(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069022	0	38	-1.0	-53.54	322.47	0.69	-52.85
C[C@@H](CCNC(=O)C1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069023	0	41	-1.0	-52.65	340.62	1.27	-51.38
C[C@@H](CCNC(=O)C=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069024	0	39	-1.0	-53.44	333.32	1.40	-52.04
CC(C)=C(F)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069025	0	38	-1.0	-48.69	327.76	0.77	-47.92
C[C@@H](CCNC(=O)C1=CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069026	0	39	-1.0	-53.22	330.75	1.28	-51.94
C[C@@H](CCNC(=O)C1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069027	0	41	-1.0	-52.24	341.27	1.42	-50.82
C[C@@H](CCNC(=O)[C@H]1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069028	0	41	-1.0	-52.22	341.27	1.41	-50.81
C[C@@H](CCNC(=O)[C@@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069029	0	39	-1.0	-57.56	330.19	-0.01	-57.57
CCC(C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069030	0	43	-1.0	-52.64	350.61	1.43	-51.21
C#CCCCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069031	0	39	-1.0	-56.08	342.93	1.48	-54.60
C[C@@H](CCNC(=O)CC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005069032	0	41	-1.0	-55.25	341.46	-1.33	-56.58
CC(C)[C@@H](O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069033	0	41	-1.0	-52.69	340.14	-0.86	-53.55
CCC(C)=CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069034	0	41	-1.0	-51.87	345.31	1.48	-50.39
CC(C)C#CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069035	0	39	-1.0	-53.37	343.54	1.44	-51.93
C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069036	0	37	-1.0	-53.57	333.22	1.62	-51.95
C=C(C)CCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069037	0	41	-1.0	-52.58	350.08	1.40	-51.18
C[C@@H](CCNC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069038	0	38	-1.0	-52.99	322.42	0.78	-52.21
C[C@@H](CCNC(=O)[C@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069039	0	39	-1.0	-57.38	330.17	-0.02	-57.40
C[C@@H](CCNC(=O)C1=NNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069040	0	34	-1.0	-51.15	307.07	-3.25	-54.40
C[C@@H](CCNC(=O)C1=CN=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069040	1	34	-1.0	-53.89	306.16	-3.19	-57.08
C[C@@H](CCNC(=O)CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069041	0	41	-1.0	-52.82	345.09	1.44	-51.38
C[C@@H](CCNC(=O)C1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069042	0	34	-1.0	-53.61	308.56	-3.59	-57.20
C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069043	0	41	-1.0	-53.42	341.34	1.05	-52.37
C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069044	0	38	-1.0	-53.01	326.05	0.87	-52.14
C[C@@H](CCNC(=O)C1(C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069045	0	41	-1.0	-53.32	338.89	1.23	-52.09
CCC(F)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069046	0	37	-1.0	-53.26	321.93	0.22	-53.04
C[C@@H](CCNC(=O)CCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005069047	0	37	-1.0	-56.04	322.24	0.32	-55.72
C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069048	0	38	-1.0	-53.07	326.05	0.86	-52.21
C=CCCCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069049	0	41	-1.0	-53.52	349.96	1.52	-52.00
CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069050	0	43	-1.0	-53.25	346.81	1.15	-52.10
C[C@@H](CCNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005069051	0	32	-1.0	-49.46	289.50	-5.26	-54.72
C[C@@H](CCNC(=O)CC1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069052	0	41	-1.0	-53.60	346.47	1.63	-51.97
CCC1(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069053	0	41	-1.0	-53.30	346.31	1.39	-51.91
C[C@@H](CCNC(=O)C1(CF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069054	0	38	-1.0	-56.28	332.27	0.84	-55.44
C[C@@H](CCNC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069055	0	40	-1.0	-52.99	332.59	0.65	-52.34
CC(C)C(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069056	0	43	-1.0	-52.31	347.73	1.29	-51.02
CC[C@@H]1C[C@H]1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069057	0	41	-1.0	-53.10	347.46	1.62	-51.48
C[C@@H](CCNC(=O)C1CC12CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005069058	0	39	-1.0	-53.47	337.12	1.66	-51.81
C[C@@H](CCNC(=O)[C@@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069059	0	36	-1.0	-60.68	319.10	-3.91	-64.59
C[C@@H](CCNC(=O)[C@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069060	0	36	-1.0	-61.82	318.62	-4.24	-66.06
COC1(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069061	0	39	-1.0	-55.94	332.67	-0.04	-55.98
C[C@@H](CCNC(=O)C1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069062	0	36	-1.0	-52.62	320.76	0.34	-52.28
C=CCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069063	0	35	-1.0	-53.41	307.06	-0.04	-53.45
C[C@@H](CCNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069064	0	40	0.0	-72.45	329.74	0.13	-72.32
C[C@@H](CCNC(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069064	1	39	-1.0	-53.65	327.65	-2.25	-55.90
C=CC(O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069065	0	36	-1.0	-53.08	315.51	-1.99	-55.07
C[C@@H](CCNC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069066	0	36	-1.0	-53.31	311.51	-2.07	-55.38
CO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069067	0	38	-1.0	-56.74	326.66	-0.50	-57.24
CC=CC(O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069068	0	39	-1.0	-52.89	337.22	-1.14	-54.03
C[C@@H](CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069069	0	43	0.0	-70.23	347.91	0.54	-69.69
C[C@@H](CCNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069069	1	42	-1.0	-53.73	341.81	-1.88	-55.61
CCC=C(F)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069070	0	38	-1.0	-49.15	333.00	0.83	-48.32
CCC=CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069071	0	38	-1.0	-53.10	328.82	0.78	-52.32
C[C@@H](CCNC(=O)C(C)(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005069073	0	41	-1.0	-52.45	341.93	-2.55	-55.00
C[C@@H](CCNC(=O)C1(F)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069074	0	38	-1.0	-50.47	327.26	0.74	-49.73
C[C@@H](CCNC(=O)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005069075	0	32	-1.0	-58.35	284.62	-3.50	-61.85
C[C@@H](CCNC(=O)C=CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005069076	0	36	-1.0	-54.05	324.11	-3.94	-57.99
CC(O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069077	0	35	-1.0	-58.03	305.29	-2.74	-60.77
C[C@@H](CCNC(=O)C1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069078	0	39	-1.0	-53.04	328.99	-2.35	-55.39
C[C@@H](CCNC(=O)C(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069079	0	39	-1.0	-52.89	336.94	-1.17	-54.06
C=CCC(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069080	0	41	-1.0	-52.77	346.32	1.33	-51.44
C[C@@H](CCNC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005069081	0	35	-1.0	-56.88	310.88	0.26	-56.62
C[C@@H](CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069082	0	43	0.0	-70.23	347.91	0.54	-69.69
C[C@@H](CCNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069082	1	42	-1.0	-53.73	341.81	-1.88	-55.61
C[C@@H](CCNC(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005069083	0	34	-1.0	-51.79	300.74	-0.45	-52.24
C[C@@H](CCNC(=O)C1(O)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069084	0	37	-1.0	-53.77	319.75	-4.61	-58.38
CC(C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005069085	0	39	-1.0	-54.01	336.93	1.65	-52.36
CCC1CC1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069086	0	41	-1.0	-53.08	347.45	1.63	-51.45
C[C@@H](CCNC(=O)CC1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069087	0	39	-1.0	-57.50	335.90	-2.56	-60.06
C[C@@H](CCNC(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005069088	0	35	-1.0	-55.56	313.91	0.14	-55.42
C#CCCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069089	0	36	-1.0	-52.84	321.43	0.70	-52.14
C[C@@H](CCNC(=O)CN1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069090	0	40	-1.0	-55.07	335.52	-2.68	-57.75
C[C@@H](CCNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069090	1	41	0.0	-72.70	339.84	0.56	-72.14
C#C[C@H]1C[C@H]1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069091	0	37	-1.0	-56.26	327.54	1.35	-54.91
C[C@@H](CCNC(=O)C1C2CCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005069092	0	39	-1.0	-53.05	327.36	1.51	-51.54
C=C1CCC1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069093	0	39	-1.0	-52.48	334.45	1.19	-51.29
C[C@@H](CCNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069094	0	41	-1.0	-53.02	342.54	1.40	-51.62
C[C@H](C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005069095	0	43	0.0	-71.21	347.91	0.53	-70.68
C[C@H](C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005069095	1	42	-1.0	-53.49	341.50	-1.89	-55.38
CC=CC=CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069096	0	39	-1.0	-53.21	342.89	1.46	-51.75
COCC=CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069097	0	39	-1.0	-55.60	341.08	-0.94	-56.54
C[C@@H](CCNC(=O)C1(C)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069098	0	39	-1.0	-56.54	329.59	-1.50	-58.04
C[C@@H](CCNC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069099	0	36	-1.0	-56.90	311.67	-1.03	-57.93
C[C@@H](CCNC(=O)CCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005069100	0	36	-1.0	-51.71	324.29	-3.97	-55.68
C#CCOCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069101	0	37	-1.0	-59.67	334.52	0.27	-59.40
C[C@@H](CCNC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005069102	0	38	-1.0	-50.65	324.63	-3.16	-53.81
CC1=CC1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069103	0	36	-1.0	-53.57	319.70	0.88	-52.69
C[C@@H](CCNC(=O)C(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069104	0	38	-1.0	-48.80	326.28	-1.75	-50.55
CSC=CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069105	0	36	-1.0	-52.16	329.78	0.32	-51.84
CCC(C)(O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069106	0	41	-1.0	-50.82	341.25	-2.49	-53.31
CC[N@H+](C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069107	0	43	0.0	-71.92	347.47	0.80	-71.12
CC[N@@H+](C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069107	1	43	0.0	-71.84	347.47	0.80	-71.04
CCN(C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069107	1	42	-1.0	-53.63	345.63	-1.47	-55.10
C=C1CC(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069108	0	39	-1.0	-52.59	334.40	1.21	-51.38
C[C@@H](CCNC(=O)C1CCC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005069109	0	38	-1.0	-54.35	327.52	0.78	-53.57
C[C@@H](CCNC(=O)C1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069110	0	35	-1.0	-57.49	311.47	-0.74	-58.23
C[C@@H](CCNC(=O)C1=CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069111	0	37	-1.0	-51.28	322.26	-0.70	-51.98
CCC[C@H](O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069112	0	41	-1.0	-53.40	346.94	-1.11	-54.51
CC(C)[C@H](O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069113	0	41	-1.0	-53.32	341.24	-1.19	-54.51
CCOC=CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069114	0	39	-1.0	-51.92	340.79	-0.35	-52.27
C[C@@H](O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069115	0	35	-1.0	-58.10	305.30	-2.74	-60.84
C[C@@H](CCNC(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005069116	0	36	-1.0	-57.01	318.83	-3.34	-60.35
COC(C)(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069117	0	41	-1.0	-57.26	338.60	-0.03	-57.29
C[C@@H](CCNC(=O)CCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005069118	0	41	-1.0	-54.05	348.57	-2.37	-56.42
C[C@@H](CCNC(=O)C1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069119	0	39	-1.0	-57.31	337.09	-2.65	-59.96
COC(F)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069120	0	35	-1.0	-56.67	312.77	-1.74	-58.41
C[C@@H](CCNC(=O)C12CC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005069121	0	39	-1.0	-53.37	333.09	1.38	-51.99
C=C[C@H](C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069122	0	41	-1.0	-52.55	345.17	1.31	-51.24
C[C@@H](CCNC(=O)C=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069123	0	39	-1.0	-53.05	339.71	1.61	-51.44
CC=C(CC)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069124	0	41	-1.0	-53.00	343.50	1.40	-51.60
C=CC(C)(O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069125	0	39	-1.0	-51.29	334.82	-2.41	-53.70
C[C@@H](CCNC(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069126	0	36	-1.0	-54.04	315.16	0.77	-53.27
CON=CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069127	0	35	-1.0	-55.77	316.62	-2.01	-57.78
C[C@@H](CCNC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069128	0	35	-1.0	-49.90	310.87	0.23	-49.67
C[C@@H](CCNC(=O)C1=NOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069129	0	36	-1.0	-49.75	318.20	-1.74	-51.49
C#CC(C)(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069130	0	39	-1.0	-55.94	338.40	1.09	-54.85
C[C@@H](CCNC(=O)COC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069131	0	39	-1.0	-57.82	339.10	0.52	-57.30
C[C@@H](CCNC(=O)C1=NC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069132	0	35	-1.0	-52.46	312.60	-1.55	-54.01
CCCC=CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069133	0	41	-1.0	-53.02	350.31	1.56	-51.46
CC=C(F)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069134	0	35	-1.0	-49.37	312.70	0.09	-49.28
CCC(CO)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069135	0	41	-1.0	-51.93	342.42	-2.24	-54.17
CC(CO)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069136	0	38	-1.0	-52.35	324.28	-3.20	-55.55
C[C@@H](CCNC(=O)C1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069137	0	34	-1.0	-53.00	307.88	-0.87	-53.87
C[C@@H](CCNC(=O)[C@@H]1C[C@H]1CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005069138	0	38	-1.0	-55.84	332.64	0.99	-54.85
C#CC1(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069139	0	37	-1.0	-51.83	330.36	1.24	-50.59
C[C@@H](CCNC(=O)C1=COCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069140	0	37	-1.0	-53.50	320.85	-0.73	-54.23
C[C@H](O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069141	0	35	-1.0	-58.03	305.29	-2.74	-60.77
C[C@@H](CCNC(=O)C1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069142	0	39	-1.0	-52.49	329.72	1.21	-51.28
CC(O)C(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069143	0	41	-1.0	-56.59	341.20	-1.50	-58.09
C=C1CC1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069144	0	36	-1.0	-52.91	318.24	0.75	-52.16
CC(CF)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069145	0	37	-1.0	-51.38	319.50	0.21	-51.17
C=C(C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069146	0	38	-1.0	-52.88	328.68	0.61	-52.27
CC(C)=C(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069147	0	41	-1.0	-52.57	338.57	1.41	-51.16
CCCC(O)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069148	0	41	-1.0	-53.39	346.94	-1.11	-54.50
CCC(O)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069149	0	41	-1.0	-56.97	346.32	-1.44	-58.41
CC=CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069150	0	35	-1.0	-53.22	307.73	0.02	-53.20
C[C@@H](CCNC(=O)C1(C)CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005069151	0	38	-1.0	-57.65	327.11	0.90	-56.75
C[C@@H](CCNC(=O)[C@H]1C[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069152	0	39	-1.0	-57.22	332.29	-2.72	-59.94
C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069153	0	38	-1.0	-53.01	326.05	0.87	-52.14
CNC(=O)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069154	0	38	-1.0	-66.20	330.24	-1.54	-67.74
C=CC=CCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069155	0	39	-1.0	-54.00	342.31	1.38	-52.62
C[C@@H](CCNC(=O)CCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005069156	0	38	-1.0	-53.62	331.83	-3.76	-57.38
CC(O)CCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069157	0	41	-1.0	-52.61	347.46	-2.32	-54.93
C#CCC(C)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069158	0	39	-1.0	-52.54	339.30	1.27	-51.27
CC(CCO)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069159	0	41	-1.0	-57.21	343.25	-2.63	-59.84
C[C@@H](CCNC(=O)[C@H](O)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005069160	0	35	-1.0	-53.97	311.29	-2.56	-56.53
C[C@@H](CCNC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069161	0	36	-1.0	-52.30	312.99	-2.90	-55.20
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005069162	0	38	-1.0	-48.04	325.10	0.94	-47.10
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)F	REAL250005069163	0	37	-1.0	-46.19	319.83	0.13	-46.06
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(F)F	REAL250005069164	0	34	-1.0	-45.76	306.00	-0.40	-46.16
COCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069165	0	35	-1.0	-51.13	306.88	-1.23	-52.36
CCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069166	0	37	-1.0	-47.84	315.65	0.17	-47.67
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CO1	REAL250005069167	0	35	-1.0	-49.07	313.77	-0.27	-49.34
CC(=O)NCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069168	0	38	-1.0	-50.56	332.53	-2.90	-53.46
CC(C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069169	0	40	-1.0	-47.29	332.38	0.77	-46.52
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005069170	0	38	-1.0	-47.90	326.05	0.85	-47.05
CCOCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069171	0	38	-1.0	-51.09	328.73	-0.27	-51.36
CC(C)=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069172	0	38	-1.0	-47.31	323.53	0.70	-46.61
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCO1	REAL250005069173	0	39	-1.0	-50.78	330.29	0.00	-50.78
CSCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069174	0	35	-1.0	-50.15	317.22	-0.17	-50.32
CC(C)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069175	0	43	-1.0	-47.76	354.72	1.46	-46.30
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1	REAL250005069176	0	36	-1.0	-50.72	316.66	-0.50	-51.22
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=C1	REAL250005069177	0	35	-1.0	-51.63	312.93	-0.33	-51.96
CCCCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069178	0	43	-1.0	-47.80	358.65	1.73	-46.07
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C	REAL250005069179	0	43	-1.0	-46.39	347.35	1.29	-45.10
CCCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069180	0	40	-1.0	-47.88	337.15	0.95	-46.93
CC(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069181	0	37	-1.0	-47.69	313.71	0.07	-47.62
CCC(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069182	0	40	-1.0	-47.66	331.82	0.72	-46.94
CCC(CC)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069183	0	43	-1.0	-46.97	347.96	1.17	-45.80
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1	REAL250005069184	0	35	-1.0	-49.39	311.36	-1.82	-51.21
CCOC(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069185	0	41	-1.0	-50.75	348.51	0.42	-50.33
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1	REAL250005069186	0	35	-1.0	-50.52	311.65	-1.86	-52.38
COCCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069187	0	41	-1.0	-50.27	349.33	-0.76	-51.03
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC=C1	REAL250005069188	0	34	-1.0	-50.08	308.25	-1.04	-51.12
CCC=C(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069189	0	41	-1.0	-48.11	342.85	1.49	-46.62
COC(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069190	0	38	-1.0	-50.99	326.66	-0.53	-51.52
CC(C)OCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069191	0	41	-1.0	-51.03	349.00	0.46	-50.57
CCCOCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069192	0	41	-1.0	-50.92	350.23	0.53	-50.39
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1	REAL250005069193	0	39	-1.0	-48.53	328.09	-1.32	-49.85
CCC(OC)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069194	0	41	-1.0	-50.24	343.20	0.17	-50.07
COC(C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069195	0	41	-1.0	-49.63	346.97	0.00	-49.63
C=CCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069196	0	38	-1.0	-47.67	328.46	0.73	-46.94
CCOCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069197	0	41	-1.0	-47.93	349.68	-0.56	-48.49
COCC(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069198	0	41	-1.0	-47.80	346.53	-0.81	-48.61
C=CCOCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069199	0	39	-1.0	-51.27	341.63	0.31	-50.96
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=N1	REAL250005069200	0	34	-1.0	-49.81	308.56	-3.69	-53.50
CC(C#N)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069201	0	35	-1.0	-54.33	313.13	-0.31	-54.64
CCCC(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069202	0	43	-1.0	-47.61	353.33	1.47	-46.14
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CC1	REAL250005069203	0	41	-1.0	-47.94	347.27	1.74	-46.20
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CC1	REAL250005069204	0	39	-1.0	-47.67	329.70	1.18	-46.49
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCC1	REAL250005069205	0	41	-1.0	-47.91	342.06	1.45	-46.46
CC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005069206	0	41	-1.0	-47.33	343.63	1.56	-45.77
CC=C(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069207	0	38	-1.0	-48.29	322.47	0.70	-47.59
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)C1	REAL250005069208	0	41	-1.0	-47.52	340.64	1.28	-46.24
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCC1	REAL250005069209	0	39	-1.0	-48.23	333.32	1.40	-46.83
CC(C)=C(F)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069210	0	38	-1.0	-46.06	328.59	0.79	-45.27
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCC1	REAL250005069211	0	39	-1.0	-48.13	330.78	1.27	-46.86
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(C)C	REAL250005069212	0	41	-1.0	-47.14	341.28	1.40	-45.74
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(C)C	REAL250005069213	0	41	-1.0	-47.06	341.27	1.40	-45.66
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCO1	REAL250005069214	0	39	-1.0	-51.32	330.38	-0.07	-51.39
CCC(C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069215	0	43	-1.0	-47.24	350.61	1.43	-45.81
C#CCCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069216	0	39	-1.0	-50.38	342.93	1.47	-48.91
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)O	REAL250005069217	0	41	-1.0	-46.92	338.61	-1.17	-48.09
CC(C)[C@@H](O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069218	0	41	-1.0	-48.43	341.33	-1.16	-49.59
CCC(C)=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069219	0	41	-1.0	-46.96	345.31	1.47	-45.49
CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069220	0	39	-1.0	-49.12	343.54	1.44	-47.68
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1CC1	REAL250005069221	0	37	-1.0	-49.42	333.22	1.61	-47.81
CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069222	0	34	-1.0	-48.02	294.15	-0.59	-48.61
COCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069223	0	38	-1.0	-48.07	327.83	-1.52	-49.59
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005069224	0	35	-1.0	-48.01	304.67	0.18	-47.83
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005069225	0	38	-1.0	-47.72	320.89	0.69	-47.03
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1	REAL250005069226	0	41	-1.0	-47.72	337.19	1.28	-46.44
C=CCCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069227	0	41	-1.0	-48.16	349.96	1.51	-46.65
CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069228	0	43	-1.0	-47.68	346.81	1.13	-46.55
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005069229	0	32	-1.0	-48.01	289.50	-5.26	-53.27
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1C	REAL250005069230	0	41	-1.0	-47.98	346.47	1.61	-46.37
CCC1(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069231	0	41	-1.0	-47.60	347.47	1.34	-46.26
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005069232	0	40	-1.0	-47.59	332.59	0.63	-46.96
C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069233	0	41	-1.0	-47.43	350.08	1.40	-46.03
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CC1	REAL250005069234	0	38	-1.0	-47.96	327.15	0.87	-47.09
CC(C)C(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069235	0	43	-1.0	-46.93	347.73	1.28	-45.65
CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069236	0	41	-1.0	-47.85	347.46	1.61	-46.24
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CC2	REAL250005069237	0	39	-1.0	-48.10	337.12	1.64	-46.46
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCO1	REAL250005069238	0	39	-1.0	-51.97	330.55	-0.02	-51.99
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C)CC1	REAL250005069239	0	41	-1.0	-47.56	345.09	1.45	-46.11
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005069240	0	38	-1.0	-47.78	322.44	0.78	-47.00
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC=C1	REAL250005069241	0	36	-1.0	-50.63	317.04	-0.43	-51.06
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CO1	REAL250005069242	0	34	-1.0	-49.70	308.56	-3.57	-53.27
C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069243	0	41	-1.0	-47.78	341.35	1.03	-46.75
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005069244	0	38	-1.0	-47.84	326.05	0.85	-46.99
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCC1	REAL250005069245	0	41	-1.0	-47.73	338.08	1.20	-46.53
CCC(F)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069246	0	37	-1.0	-49.46	321.93	0.22	-49.24
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCF	REAL250005069247	0	37	-1.0	-50.13	322.24	0.31	-49.82
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005069248	0	38	-1.0	-47.89	326.04	0.85	-47.04
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNN=C1	REAL250005069249	0	34	-1.0	-48.08	307.07	-3.26	-51.34
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1	REAL250005069249	1	34	-1.0	-50.09	306.16	-3.20	-53.29
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CO	REAL250005069250	0	32	-1.0	-52.62	284.62	-3.51	-56.13
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(N)=O	REAL250005069251	0	36	-1.0	-51.32	324.11	-3.96	-55.28
COC(=O)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069252	0	37	-1.0	-55.20	326.10	0.36	-54.84
CSC=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069253	0	36	-1.0	-47.95	329.78	0.34	-47.61
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(N)=O	REAL250005069254	0	38	-1.0	-50.79	331.84	-3.76	-54.55
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005069255	0	36	-1.0	-51.81	313.05	-1.08	-52.89
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCO1	REAL250005069256	0	37	-1.0	-47.78	322.25	-0.71	-48.49
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005069257	0	36	-1.0	-48.58	311.51	-2.09	-50.67
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005069258	0	36	-1.0	-51.10	318.83	-3.34	-54.44
CC=CC(O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069259	0	39	-1.0	-48.06	339.87	-1.33	-49.39
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005069260	0	43	0.0	-66.47	347.85	0.54	-65.93
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005069260	1	42	-1.0	-47.93	341.55	-1.89	-49.82
CCC=C(F)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069261	0	38	-1.0	-46.24	333.00	0.83	-45.41
CCC=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069262	0	38	-1.0	-48.03	328.82	0.78	-47.25
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCN=[N+]=[N-]	REAL250005069263	0	36	-1.0	-47.16	324.30	-3.98	-51.14
C#CCOCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069264	0	37	-1.0	-53.70	334.52	0.27	-53.43
CC(O)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069265	0	41	-1.0	-48.05	347.46	-2.33	-50.38
C#CCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069266	0	36	-1.0	-48.15	321.44	0.69	-47.46
CC=CC=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069267	0	39	-1.0	-48.23	342.89	1.45	-46.78
COCC=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069268	0	39	-1.0	-49.82	341.08	-0.94	-50.76
CCC(C)(O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069269	0	41	-1.0	-46.41	341.25	-2.50	-48.91
C#CCC(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069270	0	39	-1.0	-47.73	339.31	1.25	-46.48
C=CC(O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069271	0	36	-1.0	-48.21	318.16	-2.19	-50.40
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC1CC2	REAL250005069272	0	39	-1.0	-47.99	333.13	1.39	-46.60
C=C[C@H](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069273	0	41	-1.0	-47.09	345.17	1.30	-45.79
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CC1	REAL250005069274	0	39	-1.0	-48.04	339.70	1.60	-46.44
CCC(C#N)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069275	0	38	-1.0	-51.80	333.76	0.34	-51.46
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCC21	REAL250005069276	0	39	-1.0	-47.67	327.41	1.52	-46.15
C=C1CCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069277	0	39	-1.0	-47.57	334.41	1.18	-46.39
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005069278	0	41	-1.0	-46.59	334.84	1.35	-45.24
CC[N@H+](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069279	0	43	0.0	-66.70	347.47	0.81	-65.89
CC[N@@H+](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069279	1	43	0.0	-66.76	347.47	0.80	-65.96
CCN(C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069279	1	42	-1.0	-48.10	345.63	-1.46	-49.56
CC(O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069280	0	35	-1.0	-48.44	304.95	-2.73	-51.17
CC(=O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069281	0	33	-1.0	-46.76	296.41	-1.46	-48.22
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC#N	REAL250005069282	0	38	-1.0	-55.24	336.51	0.69	-54.55
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C#N)CC1	REAL250005069283	0	36	-1.0	-47.28	323.94	0.42	-46.86
C=C1CC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069284	0	39	-1.0	-47.46	334.44	1.20	-46.26
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005069285	0	35	-1.0	-46.03	311.05	0.23	-45.80
COC(C)(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069286	0	41	-1.0	-51.16	338.61	-0.05	-51.21
CC(CC#N)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069287	0	38	-1.0	-49.09	332.88	0.44	-48.65
CCC1CC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069288	0	41	-1.0	-47.14	341.99	1.63	-45.51
C=CC(C)(O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069289	0	39	-1.0	-46.58	334.82	-2.44	-49.02
CCCC=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069290	0	41	-1.0	-47.78	350.31	1.56	-46.22
CC=C(F)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069291	0	35	-1.0	-46.44	312.70	0.09	-46.35
C[C@H](C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005069292	0	43	0.0	-64.78	347.88	0.55	-64.23
C[C@H](C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)N(C)C	REAL250005069292	1	42	-1.0	-48.31	341.50	-1.90	-50.21
CCOC=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069293	0	39	-1.0	-48.27	340.79	-0.34	-48.61
CC(=O)OCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069294	0	37	-1.0	-51.71	330.23	0.35	-51.36
CC(=O)C=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069295	0	37	-1.0	-49.58	330.98	-0.12	-49.70
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC1	REAL250005069296	0	39	-1.0	-51.83	339.10	0.51	-51.32
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1	REAL250005069297	0	35	-1.0	-50.15	312.60	-1.56	-51.71
CC(CO)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069298	0	38	-1.0	-48.26	324.28	-3.22	-51.48
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CON=C1	REAL250005069299	0	34	-1.0	-51.47	307.63	-0.85	-52.32
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCO	REAL250005069300	0	41	-1.0	-49.30	348.57	-2.39	-51.69
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C1CC1	REAL250005069301	0	37	-1.0	-46.84	327.49	0.14	-46.70
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC1	REAL250005069302	0	39	-1.0	-51.18	336.10	-2.58	-53.76
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1F	REAL250005069303	0	38	-1.0	-51.51	325.36	0.80	-50.71
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CF	REAL250005069304	0	38	-1.0	-49.30	332.69	0.97	-48.33
CCC(CO)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069305	0	41	-1.0	-48.52	341.67	-2.48	-51.00
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@@H]1C#N	REAL250005069306	0	36	-1.0	-57.10	321.64	0.48	-56.62
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCC1	REAL250005069307	0	37	-1.0	-48.49	320.87	-0.75	-49.24
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005069308	0	36	-1.0	-47.67	312.99	-2.90	-50.57
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005069309	0	36	-1.0	-48.71	314.63	0.68	-48.03
CC(CF)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069310	0	37	-1.0	-46.85	319.68	0.21	-46.64
CC=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069311	0	35	-1.0	-48.27	307.73	0.02	-48.25
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1F	REAL250005069312	0	38	-1.0	-51.41	327.12	0.89	-50.52
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005069313	0	35	-1.0	-49.69	313.91	0.14	-49.55
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CC1	REAL250005069314	0	39	-1.0	-51.71	337.12	-2.63	-54.34
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NO1	REAL250005069315	0	34	-1.0	-48.25	308.25	-0.87	-49.12
C[C@H](O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069317	0	35	-1.0	-48.45	304.92	-2.73	-51.18
CON=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069318	0	35	-1.0	-51.12	316.62	-2.01	-53.13
CC(C)[C@H](O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069319	0	41	-1.0	-47.71	341.24	-1.22	-48.93
C#CC1(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069320	0	37	-1.0	-47.39	330.36	1.24	-46.15
C=CC=CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069321	0	39	-1.0	-48.49	342.32	1.37	-47.12
C#C[C@H]1C[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069322	0	37	-1.0	-50.40	327.53	1.35	-49.05
CC=C(CC)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069323	0	41	-1.0	-48.06	343.50	1.41	-46.65
COC(F)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069324	0	35	-1.0	-51.59	312.77	-1.75	-53.34
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C#N	REAL250005069325	0	36	-1.0	-49.17	325.66	0.60	-48.57
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005069326	0	39	-1.0	-51.01	332.33	-2.73	-53.74
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CO	REAL250005069327	0	41	-1.0	-47.98	341.94	-2.57	-50.55
C=CCC(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069328	0	41	-1.0	-47.37	346.32	1.31	-46.06
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005069329	0	38	-1.0	-47.84	326.05	0.85	-46.99
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005069330	0	38	-1.0	-47.04	324.63	-3.17	-50.21
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOCC1	REAL250005069331	0	36	-1.0	-47.96	318.20	-1.73	-49.69
CC(C#N)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069332	0	38	-1.0	-48.85	331.70	0.45	-48.40
CC(CCO)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069333	0	41	-1.0	-51.11	343.25	-2.65	-53.76
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)CF	REAL250005069334	0	35	-1.0	-50.39	311.26	-2.56	-52.95
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCC1	REAL250005069335	0	39	-1.0	-47.66	328.99	-2.36	-50.02
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CC1	REAL250005069336	0	39	-1.0	-47.66	333.24	-0.95	-48.61
C=C(C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069337	0	38	-1.0	-48.00	328.68	0.60	-47.40
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C#N	REAL250005069338	0	38	-1.0	-53.66	331.98	0.20	-53.46
CC(C)=C(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069339	0	41	-1.0	-47.34	338.64	1.39	-45.95
CNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069340	0	38	-1.0	-58.67	330.24	-1.56	-60.23
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(F)C1	REAL250005069341	0	38	-1.0	-50.51	327.49	0.78	-49.73
C=CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069342	0	35	-1.0	-48.09	307.07	-0.05	-48.14
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005069343	0	40	0.0	-67.51	329.74	0.13	-67.38
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005069343	1	39	-1.0	-48.24	327.66	-2.25	-50.49
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC#N	REAL250005069344	0	32	-1.0	-56.15	293.62	-0.91	-57.06
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005069345	0	35	-1.0	-47.04	311.47	0.27	-46.77
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005069346	0	43	0.0	-66.47	347.85	0.54	-65.93
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005069346	1	42	-1.0	-47.93	341.55	-1.89	-49.82
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005069347	0	34	-1.0	-47.40	300.75	-0.45	-47.85
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=CCC1	REAL250005069348	0	39	-1.0	-47.53	329.80	1.18	-46.35
C#CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069349	0	39	-1.0	-50.33	338.41	1.07	-49.26
CO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069350	0	38	-1.0	-50.78	326.69	-0.53	-51.31
CC(=O)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069351	0	39	-1.0	-49.26	338.86	0.08	-49.18
C[C@@H](O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069352	0	35	-1.0	-49.27	304.95	-2.73	-52.00
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1	REAL250005069353	0	40	-1.0	-48.96	335.53	-2.66	-51.62
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005069353	1	41	0.0	-67.12	339.84	0.55	-66.57
CC(O)C(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069354	0	41	-1.0	-50.24	338.48	-1.53	-51.77
C=C1CC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069355	0	36	-1.0	-48.06	318.23	0.75	-47.31
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)COC1	REAL250005069356	0	39	-1.0	-48.18	329.85	-1.48	-49.66
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N1	REAL250005069357	0	36	-1.0	-55.18	319.11	-3.90	-59.08
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC(=O)N1	REAL250005069358	0	36	-1.0	-55.62	318.62	-4.24	-59.86
CCC[C@H](O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069359	0	41	-1.0	-47.97	346.94	-1.12	-49.09
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCC1	REAL250005069360	0	38	-1.0	-45.78	327.25	0.72	-45.06
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1	REAL250005069361	0	35	-1.0	-52.02	311.48	-0.76	-52.78
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)C1	REAL250005069362	0	37	-1.0	-49.85	323.58	-0.22	-50.07
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)COC1	REAL250005069363	0	37	-1.0	-50.01	319.56	-4.74	-54.75
CC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005069364	0	39	-1.0	-48.85	336.93	1.65	-47.20
CC1=CC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069365	0	36	-1.0	-49.04	319.72	0.88	-48.16
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)N(C)C	REAL250005069366	0	38	-1.0	-48.13	326.28	-1.75	-49.88
CCCC(O)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069367	0	41	-1.0	-47.97	346.94	-1.12	-49.09
CCC(O)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069368	0	41	-1.0	-50.81	346.33	-1.46	-52.27
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC(=O)N1	REAL250005069369	0	36	-1.0	-55.17	318.62	-4.24	-59.41
COC1(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069370	0	39	-1.0	-49.82	333.67	-0.27	-50.09
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CSC1	REAL250005069371	0	36	-1.0	-48.06	320.76	0.33	-47.73
C=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069372	0	32	-1.0	-48.35	286.00	-0.86	-49.21
C[C@@H](CCNC(=O)C1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069373	0	36	-1.0	-61.24	319.12	-3.91	-65.15
C[C@@H](CCNC(=O)C1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069374	0	38	-1.0	-55.58	327.53	0.78	-54.80
C[C@@H](CCNC(=O)C1=CC=NO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069375	0	34	-1.0	-50.50	308.26	-0.85	-51.35
CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069376	0	41	-1.0	-58.56	315.53	3.55	-55.01
CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069377	0	38	-1.0	-46.93	294.36	2.73	-44.20
CN(C(=O)CO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069378	0	39	-1.0	-64.35	305.99	0.64	-63.71
CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069379	0	41	-1.0	-55.06	315.85	3.61	-51.45
CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069380	0	38	-1.0	-54.74	295.73	2.82	-51.92
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CO)CC1	REAL250005069381	0	39	-1.0	-60.33	306.32	0.69	-59.64
C=CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069382	0	39	-1.0	-55.39	308.92	3.38	-52.01
CCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069383	0	35	-1.0	-61.72	285.46	2.86	-58.86
CCN(C(=O)CCOC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069384	0	39	-1.0	-61.01	319.14	1.93	-59.08
CCN(C(C)=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069385	0	32	-1.0	-51.13	266.96	0.96	-50.17
CCN(C(=O)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069386	0	36	-1.0	-49.05	297.64	2.23	-46.82
CCN(C(=O)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069387	0	39	-1.0	-45.11	308.28	3.72	-41.39
CCN(C(=O)CC1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069388	0	39	-1.0	-49.31	318.16	3.02	-46.29
CCN(C(=O)C(C)(C)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069389	0	38	-1.0	-58.54	302.43	3.22	-55.32
CCN(C(=O)COC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069390	0	36	-1.0	-66.57	298.18	1.99	-64.58
CCCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069391	0	38	-1.0	-62.15	306.96	3.63	-58.52
CCN(C(=O)CC(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069392	0	41	-1.0	-61.84	323.69	4.22	-57.62
CCN(C(=O)C1CC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069393	0	39	-1.0	-48.83	318.66	2.98	-45.85
CCOCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069394	0	39	-1.0	-67.14	320.04	2.95	-64.19
CCN(C(=O)C=C(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069395	0	39	-1.0	-61.09	315.92	4.24	-56.85
CCN(C(=O)CSC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069396	0	36	-1.0	-66.31	308.53	3.32	-62.99
CCCCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069397	0	41	-1.0	-62.64	328.46	4.41	-58.23
CCN(C(=O)C(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069398	0	38	-1.0	-61.96	301.79	3.31	-58.65
CCC(C)C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069399	0	41	-1.0	-52.69	321.48	3.58	-49.11
CCN(C(=O)C(C)OC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069400	0	39	-1.0	-54.66	318.31	1.64	-53.02
C=CCCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069401	0	39	-1.0	-62.31	319.77	4.19	-58.12
CC=C(C)C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069402	0	39	-1.0	-63.00	309.06	3.75	-59.25
CCN(C(=O)C1(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069403	0	39	-1.0	-45.42	305.01	3.47	-41.95
CCN(C(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069404	0	39	-1.0	-48.95	319.49	3.05	-45.90
CCC(F)C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069405	0	38	-1.0	-64.34	311.83	3.62	-60.72
CCN(C(=O)CCCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069406	0	38	-1.0	-65.83	313.55	3.77	-62.06
CCN(C(=O)[C@H]1C[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069407	0	39	-1.0	-48.87	317.58	3.01	-45.86
CCN(C(=O)C(N)=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069408	0	33	-1.0	-55.66	277.05	-1.68	-57.34
CCN(C(=O)C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069409	0	41	-1.0	-52.13	315.76	3.17	-48.96
C=CCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069410	0	36	-1.0	-62.21	298.37	3.40	-58.81
CCN(C(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069411	0	41	0.0	-65.33	321.05	3.54	-61.79
CCN(C(=O)CN(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069411	1	40	-1.0	-62.31	318.97	1.15	-61.16
C=CC(O)C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069412	0	37	-1.0	-60.78	301.26	1.00	-59.78
CCN(C(=O)C1COC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069413	0	37	-1.0	-45.78	299.18	0.98	-44.80
CCN(C(=O)[C@@H](C)OC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069414	0	39	-1.0	-67.26	311.80	2.41	-64.85
CCC=CC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069415	0	39	-1.0	-62.68	321.11	4.29	-58.39
CCN(C(=O)CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069417	0	33	-1.0	-67.54	275.93	-0.29	-67.83
CCN(C(=O)C(C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069418	0	36	-1.0	-51.04	294.06	-0.68	-51.72
CCN(C(=O)C1CC1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069419	0	36	-1.0	-47.14	304.44	2.33	-44.81
CCN(C(=O)CCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069420	0	35	-1.0	-59.80	292.05	3.00	-56.80
CCN(C(=O)C=CCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069421	0	36	-1.0	-65.52	306.21	3.65	-61.87
C#CCCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069422	0	37	-1.0	-62.01	312.74	4.15	-57.86
CCN(C(=O)C1CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069423	0	37	-1.0	-52.34	302.12	0.96	-51.38
CCN(C(=O)C(C)(C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069424	0	39	-1.0	-49.46	312.43	-0.13	-49.59
CCN(C(=O)C1C=C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069425	0	37	-1.0	-46.54	309.80	4.03	-42.51
CCN(C(=O)[C@@H](C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069426	0	36	-1.0	-61.18	290.16	0.21	-60.97
CCN(C(=O)C=CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069427	0	37	-1.0	-67.89	311.13	0.17	-67.72
CCN(C(=O)C1=CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069428	0	37	-1.0	-64.70	300.26	3.96	-60.74
CCN(C(=O)C=NOC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069429	0	36	-1.0	-66.85	308.92	1.47	-65.38
CCN(C(=O)C1(F)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069430	0	36	-1.0	-45.71	295.63	3.19	-42.52
CC=C(F)C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069431	0	36	-1.0	-57.97	299.93	3.41	-54.56
CCN(C(=O)C(C)CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069432	0	39	-1.0	-48.51	310.04	-1.35	-49.86
CCN(C(=O)[C@H](C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069433	0	36	-1.0	-61.98	292.53	0.31	-61.67
C=C1CC1C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069434	0	37	-1.0	-45.73	307.27	3.87	-41.86
CCN(C(=O)C(C)CF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069435	0	38	-1.0	-49.81	312.40	2.45	-47.36
C=C(C)CC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069436	0	39	-1.0	-61.65	320.02	4.07	-57.58
CC=CC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069437	0	36	-1.0	-62.45	300.02	3.53	-58.92
CCN(C(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069438	0	39	-1.0	-48.95	319.49	3.05	-45.90
CCN(C(=O)C1(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069439	0	37	-1.0	-47.11	305.27	-0.79	-47.90
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC2)C1	REAL250005069440	0	39	-1.0	-50.08	318.17	3.38	-46.70
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)F)C1	REAL250005069441	0	38	-1.0	-46.88	309.82	2.27	-44.61
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC)C1	REAL250005069442	0	36	-1.0	-52.85	300.01	1.24	-51.61
CCCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069443	0	38	-1.0	-49.74	308.79	2.60	-47.14
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(C)C)C1	REAL250005069444	0	41	-1.0	-56.52	320.90	4.20	-52.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2C)C1	REAL250005069445	0	39	-1.0	-56.73	309.93	4.32	-52.41
CCOCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069446	0	39	-1.0	-52.79	321.87	2.20	-50.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C(C)C)C1	REAL250005069447	0	39	-1.0	-49.64	316.36	3.12	-46.52
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC)C1	REAL250005069448	0	36	-1.0	-51.71	310.35	2.27	-49.44
CCCCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069449	0	41	-1.0	-49.75	330.29	3.38	-46.37
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)C)C1	REAL250005069450	0	38	-1.0	-49.81	304.22	2.26	-47.55
CCC(C)C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069451	0	41	-1.0	-57.55	323.84	4.07	-53.48
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)OC)C1	REAL250005069452	0	39	-1.0	-56.30	312.10	2.08	-54.22
C=CCCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069453	0	39	-1.0	-56.65	316.99	4.17	-52.48
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)C#N)C1	REAL250005069454	0	36	-1.0	-53.55	304.55	3.12	-50.43
CC=C(C)C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069455	0	39	-1.0	-50.22	309.75	2.58	-47.64
CCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069456	0	35	-1.0	-49.94	287.29	1.84	-48.10
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCOC)C1	REAL250005069457	0	39	-1.0	-57.29	316.35	1.91	-55.38
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(C)=O)C1	REAL250005069458	0	32	-1.0	-57.04	262.37	2.03	-55.01
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2)C1	REAL250005069459	0	36	-1.0	-50.03	297.07	2.58	-47.45
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2)C1	REAL250005069460	0	39	-1.0	-50.04	313.98	3.11	-46.93
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(N)=O)C1	REAL250005069461	0	33	-1.0	-49.25	280.43	-2.92	-52.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C)C1	REAL250005069462	0	41	-1.0	-50.75	318.42	2.60	-48.15
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC2)C1	REAL250005069463	0	39	-1.0	-58.45	306.83	3.74	-54.71
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2C[C@H]2C)C1	REAL250005069464	0	39	-1.0	-50.01	319.14	3.27	-46.74
CCC(F)C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069465	0	38	-1.0	-51.50	313.96	2.58	-48.92
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCF)C1	REAL250005069466	0	38	-1.0	-58.30	310.76	3.74	-54.56
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[C@@H]2C)C1	REAL250005069467	0	39	-1.0	-50.04	319.16	3.27	-46.77
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CO)C1	REAL250005069468	0	33	-1.0	-61.78	273.15	-0.04	-61.82
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCO2)C1	REAL250005069469	0	37	-1.0	-61.18	296.32	2.52	-58.66
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2COC2)C1	REAL250005069470	0	37	-1.0	-61.63	301.49	2.04	-59.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CCO)C1	REAL250005069471	0	37	-1.0	-52.69	311.75	-0.95	-53.64
CCC=CC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069472	0	39	-1.0	-49.96	321.74	3.17	-46.79
C#CCCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069473	0	37	-1.0	-49.79	314.57	3.12	-46.67
C=CC(O)C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069474	0	37	-1.0	-55.71	299.36	1.22	-54.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)O)C1	REAL250005069475	0	36	-1.0	-55.31	284.81	0.69	-54.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)=O)C1	REAL250005069476	0	34	-1.0	-47.98	286.94	0.79	-47.19
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC2)C1	REAL250005069477	0	36	-1.0	-57.73	296.38	3.53	-54.20
CC=C(F)C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069478	0	36	-1.0	-48.40	303.48	2.35	-46.05
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)CO)C1	REAL250005069479	0	39	-1.0	-59.36	316.22	0.10	-59.26
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(O)CC2)C1	REAL250005069480	0	37	-1.0	-60.73	299.89	1.17	-59.56
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CCC2)C1	REAL250005069481	0	37	-1.0	-60.14	302.27	4.06	-56.08
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)CF)C1	REAL250005069482	0	38	-1.0	-57.06	311.62	3.54	-53.52
CC=CC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069483	0	36	-1.0	-50.33	300.62	2.42	-47.91
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CCF)C1	REAL250005069484	0	36	-1.0	-51.03	306.83	2.52	-48.51
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)O)C1	REAL250005069486	0	36	-1.0	-54.10	294.96	-0.48	-54.58
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=NOC)C1	REAL250005069487	0	36	-1.0	-51.58	309.52	0.38	-51.20
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2C[C@H]2C)C1	REAL250005069488	0	39	-1.0	-50.01	319.14	3.27	-46.74
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)O)C1	REAL250005069489	0	39	-1.0	-49.63	314.62	-0.65	-50.28
C=C(C)CC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069490	0	39	-1.0	-57.49	316.94	4.03	-53.46
C=CCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069491	0	36	-1.0	-56.49	295.59	3.37	-53.12
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](C)C)C1	REAL250005069492	0	41	0.0	-59.53	318.26	3.54	-55.99
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN(C)C)C1	REAL250005069492	1	40	-1.0	-50.32	320.79	0.14	-50.18
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC#N)C1	REAL250005069493	0	33	-1.0	-62.05	282.14	2.51	-59.54
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2F)C1	REAL250005069494	0	36	-1.0	-55.51	300.80	3.70	-51.81
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCF)C1	REAL250005069495	0	35	-1.0	-55.58	289.27	2.98	-52.60
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H](C)OC)C1	REAL250005069496	0	39	-1.0	-52.48	315.15	1.75	-50.73
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H](C)O)C1	REAL250005069497	0	36	-1.0	-54.05	293.78	-0.48	-54.53
C=C1CC1C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069498	0	37	-1.0	-58.45	307.57	4.17	-54.28
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C=C2C)C1	REAL250005069499	0	37	-1.0	-50.33	311.85	3.20	-47.13
C=CC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069500	0	33	-1.0	-50.43	278.90	1.54	-48.89
CCN(CC1CCN(C(C)=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005069501	0	41	-1.0	-48.60	319.78	3.36	-45.24
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)=O	REAL250005069502	0	41	-1.0	-53.39	315.56	3.21	-50.18
CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069503	0	38	-1.0	-51.12	302.96	1.47	-49.65
CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069504	0	35	-1.0	-50.88	279.52	1.53	-49.35
O=C(NC[C@@H]1CCCCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005069505	0	39	-1.0	-51.39	311.85	3.10	-48.29
COCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069506	0	39	-1.0	-55.39	314.60	1.56	-53.83
CCCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069507	0	41	-1.0	-50.75	323.92	2.19	-48.56
CC(C)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069508	0	41	-1.0	-51.54	318.43	2.81	-48.73
NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069509	0	36	-1.0	-46.72	294.27	-2.51	-49.23
C=CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069510	0	39	-1.0	-52.02	314.76	2.93	-49.09
O=C(CO)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069511	0	36	-1.0	-56.31	292.08	-0.75	-57.06
CC(O)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069512	0	39	-1.0	-51.81	309.77	-1.09	-52.90
O=C(CCF)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069513	0	38	-1.0	-50.12	308.22	2.52	-47.60
C[C@@H](O)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069514	0	39	-1.0	-56.15	310.04	-1.11	-57.26
C[C@H](O)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069515	0	39	-1.0	-52.11	308.73	-0.17	-52.28
CC=CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069516	0	39	-1.0	-51.37	313.93	2.97	-48.40
COCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069517	0	39	-1.0	-51.16	311.03	1.59	-49.57
CCCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069518	0	41	-1.0	-48.56	319.82	2.95	-45.61
CC(C)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069519	0	41	-1.0	-48.32	317.87	2.88	-45.44
CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069520	0	38	-1.0	-48.33	298.31	2.21	-46.12
CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069521	0	35	-1.0	-48.58	278.27	1.38	-47.20
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005069522	0	39	-1.0	-50.82	309.05	2.81	-48.01
NC(=O)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069523	0	36	-1.0	-50.07	293.70	-2.48	-52.55
O=C(CO)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069524	0	36	-1.0	-52.46	288.78	-0.70	-53.16
CC(O)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069525	0	39	-1.0	-50.01	309.36	0.06	-49.95
CC(=O)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069526	0	37	-1.0	-48.62	300.06	1.33	-47.29
CC=CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069527	0	39	-1.0	-49.11	311.92	2.83	-46.28
C[C@H](O)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069528	0	39	-1.0	-47.46	309.36	0.04	-47.42
C=CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069529	0	39	-1.0	-48.10	311.45	2.72	-45.38
N#CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069530	0	36	-1.0	-53.17	297.77	1.89	-51.28
O=C(CCF)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069531	0	38	-1.0	-47.46	304.91	2.33	-45.13
C[C@@H](O)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069532	0	39	-1.0	-52.40	309.71	0.02	-52.38
C=CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005069533	0	36	-1.0	-49.23	290.20	1.93	-47.30
CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069534	0	36	-1.0	-49.26	297.96	1.87	-47.39
CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069535	0	33	-1.0	-49.48	277.37	1.06	-48.42
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005069536	0	37	-1.0	-48.93	306.32	2.92	-46.01
COCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069537	0	37	-1.0	-51.89	310.68	1.23	-50.66
CCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069538	0	39	-1.0	-49.20	319.46	2.63	-46.57
CC(C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069539	0	39	-1.0	-49.16	317.51	2.54	-46.62
NC(=O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069540	0	34	-1.0	-52.14	293.31	-2.79	-54.93
C=CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069541	0	37	-1.0	-49.12	310.87	2.41	-46.71
O=C(CO)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069542	0	34	-1.0	-53.10	288.43	-1.05	-54.15
CC(O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069543	0	37	-1.0	-50.85	308.76	-0.26	-51.11
O=C(CCF)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069544	0	36	-1.0	-48.37	304.55	2.01	-46.36
C[C@@H](O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069545	0	37	-1.0	-47.23	303.43	0.00	-47.23
C[C@H](O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069546	0	37	-1.0	-51.84	306.63	-0.15	-51.99
CC=CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005069547	0	37	-1.0	-50.14	311.54	2.49	-47.65
COCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069548	0	37	-1.0	-58.27	310.35	1.51	-56.76
CCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069549	0	39	-1.0	-54.03	319.51	2.99	-51.04
CC(C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069550	0	39	-1.0	-54.14	317.17	2.78	-51.36
CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069551	0	36	-1.0	-54.16	297.63	2.29	-51.87
CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069552	0	33	-1.0	-53.93	277.33	1.48	-52.45
O=C(NCC12CC(C1)CN2C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005069553	0	37	-1.0	-53.84	309.53	2.82	-51.02
NC(=O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069554	0	34	-1.0	-49.44	291.24	-2.51	-51.95
O=C(CO)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069555	0	34	-1.0	-59.58	288.10	-0.77	-60.35
CC(O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069556	0	37	-1.0	-55.47	303.60	-0.21	-55.68
CC(=O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069557	0	35	-1.0	-49.10	298.64	1.31	-47.79
CC=CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069558	0	37	-1.0	-54.43	310.63	2.85	-51.58
C[C@H](O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069559	0	37	-1.0	-54.19	303.63	-0.20	-54.39
C=CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069560	0	37	-1.0	-54.12	310.54	2.82	-51.30
N#CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069561	0	34	-1.0	-65.44	297.09	1.97	-63.47
O=C(CCF)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069562	0	36	-1.0	-52.59	304.22	2.43	-50.16
C[C@@H](O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069563	0	37	-1.0	-59.32	305.52	-0.41	-59.73
C=CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069564	0	34	-1.0	-54.16	288.91	1.97	-52.19
CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069565	0	36	-1.0	-59.03	290.07	2.30	-56.73
CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069566	0	33	-1.0	-58.69	269.48	1.49	-57.20
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL250005069567	0	37	-1.0	-58.67	300.13	3.07	-55.60
COCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069568	0	37	-1.0	-63.02	302.80	1.67	-61.35
CCCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069569	0	39	-1.0	-59.09	311.57	3.06	-56.03
CC(C)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069570	0	39	-1.0	-59.31	305.64	2.83	-56.48
NC(=O)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069571	0	34	-1.0	-51.94	285.42	-2.38	-54.32
C=CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069572	0	37	-1.0	-59.45	302.99	2.84	-56.61
O=C(CO)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069573	0	34	-1.0	-64.55	280.54	-0.61	-65.16
CC(O)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069574	0	37	-1.0	-59.89	300.87	0.16	-59.73
O=C(CCF)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069575	0	36	-1.0	-56.84	296.66	2.44	-54.40
C[C@@H](O)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069576	0	37	-1.0	-64.59	296.68	0.05	-64.54
C[C@H](O)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069577	0	37	-1.0	-58.64	299.33	0.15	-58.49
CC=CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069578	0	37	-1.0	-59.22	303.65	2.92	-56.30
COCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069579	0	37	-1.0	-47.44	304.38	1.69	-45.75
CCCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069580	0	39	-1.0	-44.73	313.15	3.05	-41.68
CC(C)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069581	0	39	-1.0	-48.78	309.10	2.69	-46.09
CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069582	0	36	-1.0	-44.92	291.66	2.29	-42.63
CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069583	0	33	-1.0	-49.40	269.92	1.46	-47.94
O=C(NC1C2CCCN(C(=O)C3CC3)C21)C1=CC(=O)[N-]O1	REAL250005069584	0	37	-1.0	-44.75	301.67	3.02	-41.73
NC(=O)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069585	0	34	-1.0	-45.08	284.33	-2.36	-47.44
O=C(CO)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069586	0	34	-1.0	-49.02	282.13	-0.60	-49.62
CC(O)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069587	0	37	-1.0	-44.82	297.93	-0.08	-44.90
CC(=O)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069588	0	35	-1.0	-44.75	290.76	1.42	-43.33
CC=CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069589	0	37	-1.0	-49.01	304.40	2.85	-46.16
C[C@H](O)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069590	0	37	-1.0	-46.03	299.00	-0.03	-46.06
C=CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069591	0	37	-1.0	-45.13	304.57	2.83	-42.30
N#CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069592	0	34	-1.0	-52.38	291.12	1.97	-50.41
O=C(CCF)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069593	0	36	-1.0	-44.46	298.25	2.44	-42.02
C[C@@H](O)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069594	0	37	-1.0	-49.86	306.12	-0.99	-50.85
C=CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069595	0	34	-1.0	-49.35	282.68	1.98	-47.37
CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069596	0	38	-1.0	-57.67	302.27	1.49	-56.18
CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069597	0	35	-1.0	-57.85	281.95	0.68	-57.17
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005069598	0	39	-1.0	-57.64	312.80	2.24	-55.40
COCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069599	0	39	-1.0	-61.41	315.58	1.00	-60.41
CCCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069600	0	41	-1.0	-57.44	324.37	2.41	-55.03
CC(C)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069601	0	41	-1.0	-47.20	321.10	2.36	-44.84
NC(=O)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069602	0	36	-1.0	-47.01	296.95	-2.97	-49.98
C=CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069603	0	39	-1.0	-47.68	314.46	2.24	-45.44
O=C(CO)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069604	0	36	-1.0	-52.02	292.01	-1.21	-53.23
CC(O)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069605	0	39	-1.0	-47.82	311.03	-0.49	-48.31
O=C(CCF)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069606	0	38	-1.0	-47.07	306.80	1.78	-45.29
C[C@@H](O)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069607	0	39	-1.0	-48.63	311.03	-0.51	-49.14
C[C@H](O)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069608	0	39	-1.0	-58.17	313.10	-0.67	-58.84
CC=CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069609	0	39	-1.0	-57.80	315.83	2.10	-55.70
COCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069610	0	39	-1.0	-59.59	318.03	1.17	-58.42
CCCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069611	0	41	-1.0	-55.71	326.83	2.56	-53.15
CC(C)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069612	0	41	-1.0	-52.36	318.68	2.12	-50.24
CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069613	0	38	-1.0	-49.47	303.20	1.80	-47.67
CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069614	0	35	-1.0	-49.75	282.92	1.03	-48.72
O=C(N[C@H]1CCCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005069615	0	39	-1.0	-52.97	315.26	2.53	-50.44
NC(=O)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069616	0	36	-1.0	-45.01	295.74	-2.76	-47.77
O=C(CO)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069617	0	36	-1.0	-61.36	295.77	-1.13	-62.49
CC(O)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069618	0	39	-1.0	-44.18	312.29	-0.49	-44.67
CC(=O)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069619	0	37	-1.0	-46.75	296.97	2.07	-44.68
CC=CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069620	0	39	-1.0	-49.57	318.02	2.47	-47.10
C[C@H](O)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069621	0	39	-1.0	-47.45	309.70	-0.61	-48.06
C=CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069622	0	39	-1.0	-55.71	318.29	2.35	-53.36
N#CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069623	0	36	-1.0	-64.98	304.77	1.46	-63.52
O=C(CCF)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069624	0	38	-1.0	-53.42	311.90	1.92	-51.50
C[C@@H](O)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069625	0	39	-1.0	-56.46	311.25	-0.62	-57.08
C=CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069626	0	36	-1.0	-45.21	293.49	1.49	-43.72
CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069627	0	39	-1.0	-51.62	307.17	1.88	-49.74
CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069628	0	36	-1.0	-51.91	286.86	1.07	-50.84
O=C(CO)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069629	0	37	-1.0	-47.37	300.03	-0.87	-48.24
CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069630	0	39	-1.0	-49.18	313.03	2.24	-46.94
CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069631	0	36	-1.0	-49.38	291.15	1.37	-48.01
O=C(CO)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069632	0	37	-1.0	-54.14	303.49	-0.67	-54.81
C=CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069633	0	37	-1.0	-49.34	303.91	1.92	-47.42
CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069634	0	36	-1.0	-45.79	300.33	-1.38	-47.17
CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069635	0	33	-1.0	-44.48	280.86	-2.41	-46.89
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005069636	0	37	-1.0	-45.49	310.87	-0.61	-46.10
COCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069637	0	37	-1.0	-46.41	313.88	-2.21	-48.62
CCCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069638	0	39	-1.0	-43.85	322.68	-0.82	-44.67
CC(C)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069639	0	39	-1.0	-45.35	319.89	-0.72	-46.07
NC(=O)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069640	0	34	-1.0	-45.43	295.68	-6.04	-51.47
C=CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069641	0	37	-1.0	-44.13	314.06	-1.04	-45.17
O=C(CO)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069642	0	34	-1.0	-47.76	291.62	-4.51	-52.27
CC(O)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069643	0	37	-1.0	-45.86	311.15	-3.51	-49.37
C[C@@H](O)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069644	0	37	-1.0	-47.07	312.29	-3.73	-50.80
C[C@H](O)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069645	0	37	-1.0	-47.11	312.29	-3.73	-50.84
CC=CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069646	0	37	-1.0	-45.57	313.90	-0.76	-46.33
COCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069647	0	37	-1.0	-45.53	313.08	-2.00	-47.53
CCCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069648	0	39	-1.0	-42.90	321.84	-0.61	-43.51
CC(C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069649	0	39	-1.0	-42.52	319.90	-0.71	-43.23
CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069650	0	36	-1.0	-45.10	301.14	-1.59	-46.69
CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069651	0	33	-1.0	-45.36	280.86	-2.39	-47.75
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005069652	0	37	-1.0	-45.04	311.67	-0.82	-45.86
NC(=O)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069653	0	34	-1.0	-45.45	295.70	-6.05	-51.50
O=C(CO)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069654	0	34	-1.0	-49.23	291.63	-4.51	-53.74
CC(O)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069655	0	37	-1.0	-43.65	311.14	-3.50	-47.15
CC(=O)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069656	0	35	-1.0	-44.42	303.41	-2.45	-46.87
CC=CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069657	0	37	-1.0	-45.20	314.75	-0.96	-46.16
C[C@H](O)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069658	0	37	-1.0	-46.16	311.94	-3.73	-49.89
C=CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069659	0	37	-1.0	-43.18	313.27	-0.82	-44.00
N#CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069660	0	34	-1.0	-52.77	300.62	-1.91	-54.68
C[C@@H](O)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069661	0	37	-1.0	-43.56	311.14	-3.50	-47.06
C=CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069662	0	34	-1.0	-43.47	292.20	-1.66	-45.13
CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069663	0	35	-1.0	-46.92	295.45	-0.13	-47.05
COCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069664	0	39	-1.0	-45.35	330.32	-1.18	-46.53
CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069665	0	32	-1.0	-45.90	276.36	-1.07	-46.97
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005069666	0	36	-1.0	-45.37	307.14	0.53	-44.84
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005069667	0	39	-1.0	-44.99	323.38	1.02	-43.97
O=C(CC1CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069668	0	39	-1.0	-46.22	326.65	1.37	-44.85
CC(C)(F)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069669	0	38	-1.0	-46.37	321.92	0.55	-45.82
COCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069670	0	36	-1.0	-48.07	309.37	-0.90	-48.97
CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069671	0	38	-1.0	-45.38	318.15	0.52	-44.86
CC(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069672	0	41	-1.0	-46.11	333.67	1.23	-44.88
CC1CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069673	0	39	-1.0	-44.74	323.06	1.24	-43.50
CCOCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069674	0	39	-1.0	-49.66	330.04	0.20	-49.46
CC(C)=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069675	0	39	-1.0	-46.22	324.83	1.17	-45.05
CSCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069676	0	36	-1.0	-47.18	319.71	0.17	-47.01
CCCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069677	0	41	-1.0	-46.80	338.45	1.43	-45.37
CC(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069678	0	38	-1.0	-46.60	315.01	0.54	-46.06
CCC(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069679	0	41	-1.0	-46.41	333.13	1.19	-45.22
COC(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069680	0	39	-1.0	-48.27	329.16	-0.18	-48.45
C=CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069681	0	39	-1.0	-45.25	330.96	1.07	-44.18
CC=C(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069682	0	39	-1.0	-47.05	323.77	1.17	-45.88
CC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069683	0	39	-1.0	-45.74	323.97	1.20	-44.54
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069684	0	39	-1.0	-46.50	327.35	1.32	-45.18
CCC(F)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069685	0	38	-1.0	-47.13	324.42	0.56	-46.57
O=C(CCCF)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069686	0	38	-1.0	-49.33	323.54	0.79	-48.54
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069687	0	39	-1.0	-46.69	327.35	1.32	-45.37
NC(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069688	0	33	-1.0	-46.14	290.80	-4.79	-50.93
CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069689	0	41	-1.0	-46.34	333.89	1.10	-45.24
C=CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069690	0	36	-1.0	-46.90	308.37	0.41	-46.49
C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069691	0	41	0.0	-67.67	331.03	0.60	-67.07
CN(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069691	1	40	-1.0	-45.73	330.15	-1.92	-47.65
C=CC(O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069692	0	37	-1.0	-47.28	319.46	-1.72	-49.00
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005069693	0	37	-1.0	-46.93	312.81	-1.61	-48.54
CO[C@H](C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069694	0	39	-1.0	-49.83	327.94	-0.05	-49.88
CCC=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069695	0	39	-1.0	-46.74	330.12	1.25	-45.49
O=C(CO)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069697	0	33	-1.0	-51.23	285.91	-3.04	-54.27
CC(O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069698	0	36	-1.0	-47.83	306.25	-2.26	-50.09
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005069699	0	36	-1.0	-44.54	313.96	0.62	-43.92
O=C(CCF)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069700	0	35	-1.0	-44.93	303.22	-0.10	-45.03
O=C(C=CCF)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069701	0	36	-1.0	-47.76	316.40	0.48	-47.28
C#CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069702	0	37	-1.0	-45.54	323.93	1.03	-44.51
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005069703	0	37	-1.0	-50.53	314.34	-0.59	-51.12
CC(C)(O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069704	0	39	-1.0	-45.66	325.93	-2.70	-48.36
CC1=CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069705	0	37	-1.0	-47.58	320.96	1.35	-46.23
C[C@@H](O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069706	0	36	-1.0	-50.77	306.59	-2.28	-53.05
O=C(C=CCO)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069707	0	37	-1.0	-48.98	321.32	-3.00	-51.98
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005069708	0	37	-1.0	-47.41	316.46	1.21	-46.20
CON=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069709	0	36	-1.0	-48.19	319.11	-1.67	-49.86
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005069710	0	36	-1.0	-44.49	312.03	0.72	-43.77
CC=C(F)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069711	0	36	-1.0	-44.47	314.26	0.50	-43.97
CC(CO)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069712	0	39	-1.0	-46.45	325.58	-2.74	-49.19
C[C@H](O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069713	0	36	-1.0	-47.36	306.53	-2.32	-49.68
C=C1CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069714	0	37	-1.0	-46.65	319.54	1.21	-45.44
CC(CF)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069715	0	38	-1.0	-45.42	320.79	0.67	-44.75
C=C(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069716	0	39	-1.0	-45.39	331.15	0.96	-44.43
CC=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069717	0	36	-1.0	-46.81	309.02	0.49	-46.32
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069718	0	39	-1.0	-46.50	327.35	1.32	-45.18
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005069719	0	37	-1.0	-46.81	314.29	-2.43	-49.24
O=C(CC1CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069720	0	39	-1.0	-46.22	326.65	1.37	-44.85
CC(C)(F)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069721	0	38	-1.0	-46.37	321.92	0.55	-45.82
COCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069722	0	36	-1.0	-48.07	309.37	-0.90	-48.97
CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069723	0	38	-1.0	-45.38	318.15	0.52	-44.86
CC(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069724	0	41	-1.0	-46.11	333.67	1.23	-44.88
CC1CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069725	0	39	-1.0	-44.74	323.06	1.24	-43.50
CCOCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069726	0	39	-1.0	-49.66	330.04	0.20	-49.46
CC(C)=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069727	0	39	-1.0	-46.22	324.83	1.17	-45.05
CSCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069728	0	36	-1.0	-47.18	319.71	0.17	-47.01
CCCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069729	0	41	-1.0	-46.80	338.45	1.43	-45.37
CC(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069730	0	38	-1.0	-46.60	315.01	0.54	-46.06
CCC(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069731	0	41	-1.0	-46.41	333.13	1.19	-45.22
COC(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069732	0	39	-1.0	-48.27	329.16	-0.18	-48.45
C=CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069733	0	39	-1.0	-45.25	330.96	1.07	-44.18
CC(C#N)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069734	0	36	-1.0	-52.96	314.43	0.17	-52.79
CC=C(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069735	0	39	-1.0	-47.05	323.77	1.17	-45.88
CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069736	0	35	-1.0	-46.92	295.45	-0.13	-47.05
COCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069737	0	39	-1.0	-45.35	330.32	-1.18	-46.53
CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069738	0	32	-1.0	-45.90	276.36	-1.07	-46.97
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005069739	0	36	-1.0	-45.37	307.14	0.53	-44.84
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005069740	0	39	-1.0	-44.99	323.38	1.02	-43.97
NC(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069741	0	33	-1.0	-46.14	290.80	-4.79	-50.93
CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069742	0	41	-1.0	-46.34	333.89	1.10	-45.24
CC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005069743	0	39	-1.0	-45.74	323.97	1.20	-44.54
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069744	0	39	-1.0	-46.50	327.35	1.32	-45.18
CCC(F)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069745	0	38	-1.0	-47.13	324.42	0.56	-46.57
O=C(CCCF)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069746	0	38	-1.0	-49.33	323.54	0.79	-48.54
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069747	0	39	-1.0	-46.69	327.35	1.32	-45.37
O=C(CO)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069748	0	33	-1.0	-51.23	285.91	-3.04	-54.27
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005069749	0	37	-1.0	-50.53	314.34	-0.59	-51.12
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005069750	0	37	-1.0	-46.93	312.81	-1.61	-48.54
O=C(C=CCO)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069751	0	37	-1.0	-48.98	321.32	-3.00	-51.98
CCC=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069752	0	39	-1.0	-46.74	330.12	1.25	-45.49
C#CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069753	0	37	-1.0	-45.54	323.93	1.03	-44.51
C=CC(O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069754	0	37	-1.0	-47.28	319.46	-1.72	-49.00
CC(O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069755	0	36	-1.0	-47.83	306.25	-2.26	-50.09
CC(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069756	0	34	-1.0	-44.82	298.91	-1.12	-45.94
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1(F)CC1)C1=CC(=O)[N-]O1	REAL250005069757	0	36	-1.0	-44.49	312.03	0.72	-43.77
CC=C(F)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069758	0	36	-1.0	-44.47	314.26	0.50	-43.97
CC(CO)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069759	0	39	-1.0	-46.45	325.58	-2.74	-49.19
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1(O)CC1)C1=CC(=O)[N-]O1	REAL250005069760	0	37	-1.0	-46.81	314.29	-2.43	-49.24
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005069761	0	37	-1.0	-47.41	316.46	1.21	-46.20
CC(CF)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069762	0	38	-1.0	-45.42	320.79	0.67	-44.75
CC=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069763	0	36	-1.0	-46.81	309.02	0.49	-46.32
O=C(C=CCF)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069764	0	36	-1.0	-47.76	316.40	0.48	-47.28
C[C@H](O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069766	0	36	-1.0	-47.36	306.53	-2.32	-49.68
CON=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069767	0	36	-1.0	-48.19	319.11	-1.67	-49.86
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069768	0	39	-1.0	-46.50	327.35	1.32	-45.18
CC(C)(O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069769	0	39	-1.0	-45.66	325.93	-2.70	-48.36
C=C(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069770	0	39	-1.0	-45.39	331.15	0.96	-44.43
C=CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069771	0	36	-1.0	-46.90	308.37	0.41	-46.49
C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069772	0	41	0.0	-67.67	331.03	0.60	-67.07
CN(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069772	1	40	-1.0	-45.73	330.15	-1.92	-47.65
N#CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069773	0	33	-1.0	-54.98	294.91	-0.45	-55.43
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005069774	0	36	-1.0	-44.54	313.96	0.62	-43.92
O=C(CCF)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069775	0	35	-1.0	-44.93	303.22	-0.10	-45.03
CO[C@H](C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069776	0	39	-1.0	-49.83	327.94	-0.05	-49.88
C[C@@H](O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069777	0	36	-1.0	-50.77	306.59	-2.28	-53.05
C=C1CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069778	0	37	-1.0	-46.65	319.54	1.21	-45.44
CC1=CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069779	0	37	-1.0	-47.58	320.96	1.35	-46.23
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069780	0	33	-1.0	-47.11	287.30	-0.40	-47.51
CCC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005069781	0	39	-1.0	-45.11	309.86	1.55	-43.56
CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005069782	0	36	-1.0	-45.45	289.90	0.75	-44.70
O=C(CO)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005069783	0	37	-1.0	-49.20	300.26	-1.45	-50.65
CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL250005069784	0	39	-1.0	-44.98	313.05	1.85	-43.13
CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL250005069785	0	36	-1.0	-45.30	292.40	0.90	-44.40
O=C(CO)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL250005069786	0	37	-1.0	-49.19	303.25	-1.03	-50.22
C=CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL250005069787	0	37	-1.0	-45.22	303.90	1.52	-43.70
CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL250005069788	0	39	-1.0	-52.19	297.83	1.20	-50.99
CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL250005069789	0	39	-1.0	-49.74	301.49	1.64	-48.10
CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069790	0	36	-1.0	-53.96	297.09	1.29	-52.67
CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069791	0	33	-1.0	-54.46	276.81	0.45	-54.01
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL250005069792	0	37	-1.0	-53.76	307.56	2.06	-51.70
COCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069793	0	37	-1.0	-57.55	309.53	0.65	-56.90
CCCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069794	0	39	-1.0	-53.75	318.60	2.06	-51.69
CC(C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069795	0	39	-1.0	-53.71	316.69	1.93	-51.78
NC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069796	0	34	-1.0	-50.11	292.22	-3.38	-53.49
C=CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069797	0	37	-1.0	-54.51	309.73	1.84	-52.67
O=C(CO)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069798	0	34	-1.0	-59.26	287.27	-1.63	-60.89
CC(O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069799	0	37	-1.0	-55.22	307.76	-0.83	-56.05
O=C(CCF)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069800	0	36	-1.0	-52.63	303.67	1.43	-51.20
C[C@@H](O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069801	0	37	-1.0	-58.59	308.48	-0.83	-59.42
C[C@H](O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069802	0	37	-1.0	-58.49	307.69	-0.79	-59.28
CC=CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069803	0	37	-1.0	-53.82	310.69	1.90	-51.92
COCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069804	0	37	-1.0	-54.62	312.36	0.83	-53.79
CCCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069805	0	39	-1.0	-51.10	320.97	2.20	-48.90
CC(C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069806	0	39	-1.0	-47.45	318.31	1.92	-45.53
CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069807	0	36	-1.0	-50.98	299.70	1.43	-49.55
CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069808	0	33	-1.0	-51.09	277.99	0.54	-50.55
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC1)C2)C1=CC(=O)[N-]O1	REAL250005069809	0	37	-1.0	-51.15	309.96	2.18	-48.97
NC(=O)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069810	0	34	-1.0	-47.96	292.00	-3.30	-51.26
O=C(CO)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069811	0	34	-1.0	-56.29	290.17	-1.44	-57.73
CC(O)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069812	0	37	-1.0	-47.26	304.42	-1.05	-48.31
CC(=O)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069813	0	35	-1.0	-47.39	299.85	0.49	-46.90
CC=CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069814	0	37	-1.0	-51.79	312.63	1.97	-49.82
C[C@H](O)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069815	0	37	-1.0	-50.80	304.80	-1.08	-51.88
C=CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069816	0	37	-1.0	-51.43	312.39	1.98	-49.45
N#CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069817	0	34	-1.0	-59.69	299.16	1.13	-58.56
O=C(CCF)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069818	0	36	-1.0	-49.67	306.07	1.57	-48.10
C[C@@H](O)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069819	0	37	-1.0	-51.57	305.55	-0.90	-52.47
C=CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL250005069820	0	34	-1.0	-51.53	290.61	1.12	-50.41
CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069821	0	39	-1.0	-46.69	307.65	2.19	-44.50
CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069822	0	36	-1.0	-49.85	282.11	2.69	-47.16
O=C(CO)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL250005069823	0	37	-1.0	-50.67	298.12	-0.73	-51.40
CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069824	0	39	-1.0	-43.82	302.12	3.66	-40.16
CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069825	0	36	-1.0	-47.01	289.02	1.54	-45.47
O=C(CO)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069826	0	37	-1.0	-47.96	293.62	0.98	-46.98
C=CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005069827	0	37	-1.0	-46.58	295.46	3.46	-43.12
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL250005069828	0	39	-1.0	-46.16	301.69	2.53	-43.63
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL250005069829	0	36	-1.0	-46.48	279.81	1.65	-44.83
O=C(CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL250005069830	0	37	-1.0	-50.20	292.09	-0.55	-50.75
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL250005069831	0	39	-1.0	-43.98	301.47	2.40	-41.58
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL250005069832	0	36	-1.0	-44.41	279.67	1.64	-42.77
O=C(CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL250005069833	0	37	-1.0	-47.96	291.94	-0.50	-48.46
C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL250005069834	0	37	-1.0	-48.37	291.83	2.23	-46.14
CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005069835	0	39	-1.0	-48.46	301.60	1.61	-46.85
CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005069836	0	39	-1.0	-48.26	303.42	1.78	-46.48
CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005069837	0	39	-1.0	-54.96	318.49	1.57	-53.39
CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005069838	0	39	-1.0	-49.67	320.80	1.76	-47.91
CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069839	0	33	-1.0	-55.10	283.48	0.52	-54.58
COCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069840	0	37	-1.0	-53.48	316.94	-0.44	-53.92
CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069841	0	30	-1.0	-55.11	260.81	-0.39	-55.50
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC1)C2)C1=CC(=O)[N-]O1	REAL250005069842	0	34	-1.0	-55.10	293.24	1.23	-53.87
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCC1)C2)C1=CC(=O)[N-]O1	REAL250005069843	0	37	-1.0	-55.20	309.52	1.76	-53.44
O=C(CC1CC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069844	0	37	-1.0	-55.47	313.80	2.04	-53.43
CC(C)(F)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069845	0	36	-1.0	-51.86	304.01	0.91	-50.95
COCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069846	0	34	-1.0	-58.52	295.99	-0.11	-58.63
CCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069847	0	36	-1.0	-54.82	304.94	1.29	-53.53
CC(C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069848	0	39	-1.0	-54.37	321.71	1.87	-52.50
CC1CC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069849	0	37	-1.0	-54.34	308.91	1.96	-52.38
CCOCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069850	0	37	-1.0	-58.62	317.84	0.85	-57.77
CC(C)=CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069851	0	37	-1.0	-53.85	311.42	1.75	-52.10
CSCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069852	0	34	-1.0	-57.41	306.33	0.94	-56.47
CCCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069853	0	39	-1.0	-54.97	326.25	2.03	-52.94
CC(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069854	0	36	-1.0	-54.51	302.78	1.02	-53.49
CCC(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069855	0	39	-1.0	-54.78	316.63	1.52	-53.26
COC(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069856	0	37	-1.0	-58.37	311.75	0.37	-58.00
C=CCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069857	0	37	-1.0	-54.43	317.58	1.81	-52.62
CC=C(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069858	0	37	-1.0	-45.71	306.01	1.37	-44.34
CC1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005069859	0	37	-1.0	-55.16	312.09	1.57	-53.59
C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069860	0	37	-1.0	-54.88	314.76	1.90	-52.98
CCC(F)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069861	0	36	-1.0	-55.31	309.61	1.23	-54.08
O=C(CCCF)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069862	0	36	-1.0	-57.99	311.54	1.43	-56.56
C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069863	0	37	-1.0	-54.82	314.09	1.89	-52.93
NC(=O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069864	0	31	-1.0	-48.96	275.33	-4.17	-53.13
CC(C)(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069865	0	39	-1.0	-54.58	313.32	1.17	-53.41
C=CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069866	0	34	-1.0	-54.81	296.18	1.03	-53.78
C[NH+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069867	0	39	0.0	-74.73	319.07	1.20	-73.53
CN(C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069867	1	38	-1.0	-55.21	316.98	-1.17	-56.38
C=CC(O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069868	0	35	-1.0	-54.77	301.83	-1.28	-56.05
O=C(N[C@]12C[C@H]1CN(C(=O)C1COC1)C2)C1=CC(=O)[N-]O1	REAL250005069869	0	35	-1.0	-54.82	300.46	-1.05	-55.87
CO[C@H](C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069870	0	37	-1.0	-58.60	311.98	0.36	-58.24
CCC=CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069871	0	37	-1.0	-54.65	316.77	1.78	-52.87
O=C(CO)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069873	0	31	-1.0	-60.43	273.73	-2.39	-62.82
CC(O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069874	0	34	-1.0	-55.47	290.21	-1.86	-57.33
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC1F)C2)C1=CC(=O)[N-]O1	REAL250005069875	0	34	-1.0	-60.13	299.63	1.30	-58.83
O=C(CCF)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069876	0	33	-1.0	-52.80	289.85	0.63	-52.17
O=C(C=CCF)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069877	0	34	-1.0	-56.72	301.86	1.14	-55.58
C#CCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069878	0	35	-1.0	-54.15	310.55	1.77	-52.38
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCO1)C2)C1=CC(=O)[N-]O1	REAL250005069879	0	35	-1.0	-60.94	298.27	0.04	-60.90
CC(C)(O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069880	0	37	-1.0	-46.25	309.34	-2.05	-48.30
CC1=CC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069881	0	35	-1.0	-55.45	307.66	1.95	-53.50
C[C@@H](O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069882	0	34	-1.0	-60.15	290.61	-1.86	-62.01
O=C(C=CCO)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069883	0	35	-1.0	-58.47	306.78	-2.34	-60.81
COC(F)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069884	0	34	-1.0	-57.99	300.12	-0.72	-58.71
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CCC1)C2)C1=CC(=O)[N-]O1	REAL250005069885	0	35	-1.0	-56.34	299.66	1.65	-54.69
CON=CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069886	0	34	-1.0	-56.71	304.36	-0.95	-57.66
O=C(N[C@]12C[C@H]1CN(C(=O)C1(F)CC1)C2)C1=CC(=O)[N-]O1	REAL250005069887	0	34	-1.0	-50.35	297.71	1.19	-49.16
CC=C(F)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069888	0	34	-1.0	-50.02	298.52	1.00	-49.02
CC(CO)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069889	0	37	-1.0	-53.56	309.50	-2.44	-56.00
C[C@H](O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069890	0	34	-1.0	-54.71	290.37	-1.79	-56.50
C=C1CC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069891	0	35	-1.0	-54.69	306.56	1.79	-52.90
CC(CF)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069892	0	36	-1.0	-45.11	308.74	1.14	-43.97
C=C(C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069893	0	37	-1.0	-54.57	318.01	1.72	-52.85
CC=CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069894	0	34	-1.0	-54.88	295.68	1.03	-53.85
C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069895	0	37	-1.0	-54.88	314.76	1.90	-52.98
O=C(N[C@]12C[C@H]1CN(C(=O)[C@H](O)CF)C2)C1=CC(=O)[N-]O1	REAL250005069896	0	34	-1.0	-55.31	296.68	-1.72	-57.03
O=C(N[C@]12C[C@H]1CN(C(=O)C1(O)CC1)C2)C1=CC(=O)[N-]O1	REAL250005069897	0	35	-1.0	-46.16	297.86	-1.70	-47.86
O=C(CC1CC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069898	0	37	-1.0	-49.85	311.22	1.92	-47.93
CC(C)(F)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069899	0	36	-1.0	-50.12	306.33	1.03	-49.09
COCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069900	0	34	-1.0	-53.17	292.33	-0.35	-53.52
CCCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069901	0	36	-1.0	-49.70	301.38	1.12	-48.58
CC(C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069902	0	39	-1.0	-49.22	317.92	1.71	-47.51
CC1CC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069903	0	37	-1.0	-49.22	306.44	1.85	-47.37
CCOCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069904	0	37	-1.0	-53.23	314.19	0.61	-52.62
CC(C)=CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069905	0	37	-1.0	-48.91	309.39	1.67	-47.24
CSCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069906	0	34	-1.0	-52.27	302.67	0.78	-51.49
CCCCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069907	0	39	-1.0	-49.84	322.87	1.90	-47.94
CC(C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069908	0	36	-1.0	-49.47	299.42	1.02	-48.45
CCC(C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069909	0	39	-1.0	-49.47	317.58	1.70	-47.77
COC(C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069910	0	37	-1.0	-53.01	312.65	0.35	-52.66
C=CCCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069911	0	37	-1.0	-49.96	314.19	1.68	-48.28
CC(C#N)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069912	0	34	-1.0	-56.26	298.97	0.66	-55.60
CC=C(C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069913	0	37	-1.0	-50.26	308.19	1.66	-48.60
CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069914	0	33	-1.0	-49.65	279.93	0.39	-49.26
COCCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069915	0	37	-1.0	-49.62	313.54	-0.57	-50.19
CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069916	0	30	-1.0	-50.09	259.60	-0.46	-50.55
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL250005069917	0	34	-1.0	-49.73	290.62	1.11	-48.62
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL250005069918	0	37	-1.0	-49.71	306.63	1.67	-48.04
NC(=O)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069919	0	31	-1.0	-48.93	275.69	-4.27	-53.20
CC(C)(C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069920	0	39	-1.0	-49.75	318.07	1.60	-48.15
CC1(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL250005069921	0	37	-1.0	-49.79	308.13	1.74	-48.05
C[C@@H]1C[C@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069922	0	37	-1.0	-49.55	311.89	1.81	-47.74
CCC(F)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069923	0	36	-1.0	-48.96	307.74	1.15	-47.81
O=C(CCCF)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069924	0	36	-1.0	-52.20	307.80	1.28	-50.92
C[C@H]1C[C@@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069925	0	37	-1.0	-49.66	312.49	1.87	-47.79
O=C(CO)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069926	0	31	-1.0	-54.67	270.08	-2.63	-57.30
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCO1	REAL250005069927	0	35	-1.0	-53.97	298.84	-0.11	-54.08
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1COC1	REAL250005069928	0	35	-1.0	-54.11	297.14	-1.13	-55.24
O=C(C=CCO)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069929	0	35	-1.0	-53.44	304.72	-2.38	-55.82
CCC=CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069930	0	37	-1.0	-49.82	314.92	1.75	-48.07
C#CCCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069931	0	35	-1.0	-49.85	306.99	1.66	-48.19
C=CC(O)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069932	0	35	-1.0	-49.45	301.23	-1.12	-50.57
CC(O)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069933	0	34	-1.0	-51.17	290.79	-1.85	-53.02
CC(=O)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069934	0	32	-1.0	-47.90	282.02	-0.50	-48.40
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1(F)CC1	REAL250005069935	0	34	-1.0	-48.71	296.63	1.20	-47.51
CC=C(F)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069936	0	34	-1.0	-47.78	298.68	1.03	-46.75
CC(CO)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069937	0	37	-1.0	-49.61	310.40	-2.25	-51.86
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1(O)CC1	REAL250005069938	0	35	-1.0	-50.09	298.81	-1.94	-52.03
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CCC1	REAL250005069939	0	35	-1.0	-50.62	300.17	1.67	-48.95
CC(CF)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069940	0	36	-1.0	-48.37	305.27	1.17	-47.20
CC=CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069941	0	34	-1.0	-49.91	293.71	0.96	-48.95
O=C(C=CCF)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069942	0	34	-1.0	-52.09	299.80	1.09	-51.00
C[C@H](O)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069944	0	34	-1.0	-51.25	291.07	-1.82	-53.07
CON=CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069945	0	34	-1.0	-52.38	302.39	-1.05	-53.43
COC(F)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069946	0	34	-1.0	-53.62	298.50	-0.82	-54.44
C[C@@H]1C[C@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069947	0	37	-1.0	-49.55	311.89	1.81	-47.74
CC(C)(O)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069948	0	37	-1.0	-48.83	310.36	-2.22	-51.05
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@H](O)CF	REAL250005069949	0	34	-1.0	-49.87	296.80	-1.66	-51.53
C=C(C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069950	0	37	-1.0	-49.64	314.47	1.56	-48.08
C=CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069951	0	34	-1.0	-50.21	292.53	0.90	-49.31
C[NH+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069952	0	39	0.0	-69.55	315.28	1.08	-68.47
CN(C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069952	1	38	-1.0	-50.45	313.38	-1.31	-51.76
N#CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069953	0	31	-1.0	-58.44	279.07	0.04	-58.40
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1F	REAL250005069954	0	34	-1.0	-53.69	295.21	1.23	-52.46
O=C(CCF)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069955	0	33	-1.0	-49.06	286.46	0.50	-48.56
CO[C@H](C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069956	0	37	-1.0	-52.97	312.44	0.38	-52.59
C[C@@H](O)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069957	0	34	-1.0	-49.64	290.73	-1.84	-51.48
C=C1CC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069958	0	35	-1.0	-49.75	304.13	1.69	-48.06
CC1=CC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069959	0	35	-1.0	-50.47	305.44	1.82	-48.65
C=CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069960	0	31	-1.0	-50.09	272.19	0.11	-49.98
CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069961	0	39	-1.0	-47.20	297.48	2.83	-44.37
CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL250005069962	0	39	-1.0	-47.23	295.54	2.59	-44.64
CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005069963	0	39	-1.0	-51.93	325.82	-2.77	-54.70
CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005069964	0	36	-1.0	-48.75	305.69	-3.49	-52.24
O=C(CO)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005069965	0	37	-1.0	-56.82	316.28	-5.69	-62.51
CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069966	0	39	-1.0	-49.54	326.27	-2.66	-52.20
CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069967	0	36	-1.0	-52.21	305.22	-3.60	-55.81
O=C(CO)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069968	0	37	-1.0	-57.03	316.24	-5.70	-62.73
C=CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069969	0	37	-1.0	-50.74	318.31	-3.08	-53.82
CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL250005069970	0	37	-1.0	-58.99	296.44	-1.10	-60.09
CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL250005069971	0	37	-1.0	-50.25	297.25	-0.19	-50.44
CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069972	0	39	-1.0	-44.35	325.36	2.41	-41.94
CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069973	0	36	-1.0	-44.66	304.77	1.34	-43.32
O=C(CO)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069974	0	37	-1.0	-48.07	317.02	-0.66	-48.73
CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL250005069975	0	39	-1.0	-52.12	324.22	1.98	-50.14
CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL250005069976	0	36	-1.0	-54.62	302.21	1.25	-53.37
O=C(CO)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL250005069977	0	37	-1.0	-52.81	314.15	-0.83	-53.64
C=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL250005069978	0	37	-1.0	-54.52	314.68	1.78	-52.74
CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005069979	0	39	-1.0	-51.61	309.06	1.40	-50.21
CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL250005069980	0	39	-1.0	-45.38	299.28	2.29	-43.09
CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005069981	0	39	-1.0	-50.22	307.25	1.93	-48.29
CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005069982	0	39	-1.0	-48.67	301.58	1.64	-47.03
COCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069983	0	35	-1.0	-44.73	306.38	-2.18	-46.91
C[C@H](CNC(=O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069984	0	32	-1.0	-44.31	283.23	-0.47	-44.78
C[C@H](CNC(=O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069985	0	35	-1.0	-43.88	299.44	0.02	-43.86
C[C@H](CNC(=O)C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069986	0	38	-1.0	-43.67	315.74	0.61	-43.06
C[C@H](CNC(=O)C1CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069987	0	39	-1.0	-44.57	325.01	-1.12	-45.69
C[C@H](CNC(=O)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069988	0	35	-1.0	-44.18	303.64	0.30	-43.88
C[C@H](CNC(=O)C(C)(C)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005069989	0	34	-1.0	-43.52	299.53	-0.60	-44.12
C[C@H](CNC(=O)C(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005069990	0	31	-1.0	-44.21	284.56	-1.07	-45.28
COCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069991	0	32	-1.0	-46.86	285.43	-1.89	-48.75
C[C@H](CNC(=O)C1=CC=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069992	0	34	-1.0	-47.26	305.31	-0.65	-47.91
C[C@H](CNC(=O)C1=CC=NC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069993	0	34	-1.0	-45.28	303.28	-0.71	-45.99
CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069994	0	34	-1.0	-44.07	294.21	-0.49	-44.56
C[C@H](CNC(=O)C1=CC=CN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069995	0	34	-1.0	-46.99	303.08	-0.72	-47.71
C[C@H](CNC(=O)C1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069996	0	32	-1.0	-46.01	292.33	-0.94	-46.95
CC(=O)NCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069997	0	35	-1.0	-48.56	311.37	-3.57	-52.13
C[C@H](CNC(=O)C1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069998	0	35	-1.0	-45.12	308.10	1.05	-44.07
CC(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069999	0	37	-1.0	-43.65	310.93	0.10	-43.55
C[C@H](CNC(=O)C1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070000	0	41	-1.0	-43.49	333.89	1.30	-42.19
C[C@H](CNC(=O)C1=CN=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070001	0	33	-1.0	-46.52	300.10	-2.54	-49.06
C[C@H](CNC(=O)CC1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070002	0	41	-1.0	-43.78	335.90	1.36	-42.42
C[C@H](CNC(=O)C1=CC=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070003	0	32	-1.0	-44.69	300.24	0.04	-44.65
C[C@H](CNC(=O)C1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070004	0	35	-1.0	-43.70	299.15	0.24	-43.46
CCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070005	0	35	-1.0	-46.78	307.28	-0.93	-47.71
CC(C)=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070006	0	35	-1.0	-44.00	301.85	0.05	-43.95
C[C@H](CNC(=O)C1=COCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070007	0	35	-1.0	-48.47	306.25	-1.31	-49.78
CC(=O)NC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070008	0	38	-1.0	-47.67	330.65	-2.75	-50.42
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL250005070009	0	35	-1.0	-45.96	314.24	-0.12	-46.08
C[C@H](CNC(=O)C1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070010	0	36	-1.0	-46.41	308.73	-0.68	-47.09
CSCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070011	0	32	-1.0	-45.92	295.77	-0.83	-46.75
CC1=CC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005070012	0	34	-1.0	-47.71	308.74	-0.87	-48.58
CSCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070013	0	35	-1.0	-44.52	317.44	-0.01	-44.53
CC(C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070014	0	40	-1.0	-43.87	333.27	0.80	-43.07
C[C@H](CNC(=O)C1=CSC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070015	0	32	-1.0	-44.84	299.44	-0.04	-44.88
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005070016	0	35	-1.0	-45.25	309.76	-0.17	-45.42
C[C@H](CNC(=O)CC1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070017	0	39	-1.0	-44.17	328.07	1.29	-42.88
C[C@H](CNC(=O)CN1C=NN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070018	0	33	-1.0	-56.81	301.52	-1.70	-58.51
C[C@H](CNC(=O)C1=CN(C)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070019	0	35	-1.0	-48.56	313.14	-1.21	-49.77
C[C@H](CNC(=O)C1CC=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070020	0	39	-1.0	-43.76	326.26	1.20	-42.56
CC1=NOC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005070021	0	34	-1.0	-46.90	308.77	-0.92	-47.82
C[C@H](CNC(=O)C1=CC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070022	0	33	-1.0	-45.73	295.21	-1.15	-46.88
CC(=O)CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070023	0	39	-1.0	-50.72	338.79	0.21	-50.51
C[C@H](CNC(=O)C1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070024	0	32	-1.0	-46.86	291.49	-0.98	-47.84
C[C@H](CNC(=O)CN1C=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070025	0	35	-1.0	-51.32	312.95	-0.83	-52.15
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005070026	0	35	-1.0	-46.03	310.22	-0.26	-46.29
CCCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070027	0	40	-1.0	-43.97	337.20	1.07	-42.90
C[C@H](CNC(=O)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070028	0	40	-1.0	-43.06	325.90	0.63	-42.43
C[C@H](CNC(=O)C1=CC=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070029	0	36	-1.0	-46.44	313.59	0.48	-45.96
CCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070030	0	37	-1.0	-44.03	315.70	0.29	-43.74
CC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070031	0	34	-1.0	-43.85	292.26	-0.60	-44.45
CCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070032	0	37	-1.0	-43.68	310.39	0.05	-43.63
CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070033	0	38	-1.0	-50.79	328.78	-1.28	-52.07
CCC(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070034	0	40	-1.0	-43.52	326.23	0.54	-42.98
CC(C)OCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070035	0	41	-1.0	-44.69	348.51	-0.47	-45.16
C[C@H](CNC(=O)C1COCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070036	0	37	-1.0	-47.28	317.65	-1.88	-49.16
C[C@H](CNC(=O)C1=CC=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070037	0	32	-1.0	-45.91	289.92	-2.48	-48.39
CSC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070038	0	35	-1.0	-45.74	314.22	-0.26	-46.00
CCOC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070039	0	38	-1.0	-46.29	327.07	-0.24	-46.53
CCOCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070040	0	41	-1.0	-45.99	349.73	-0.45	-46.44
C[C@H](CNC(=O)COCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070041	0	39	-1.0	-46.91	338.96	0.66	-46.25
C[C@H](CNC(=O)CC1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070042	0	39	-1.0	-46.71	328.81	-0.22	-46.93
C[C@H](CNC(=O)C1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070043	0	32	-1.0	-47.63	290.20	-2.51	-50.14
COCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070044	0	38	-1.0	-46.06	327.88	-1.42	-47.48
CCOC1CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070045	0	39	-1.0	-44.45	338.79	-0.59	-45.04
C[C@H](CNC(=O)C1=NSN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070046	0	30	-1.0	-44.78	289.05	-2.99	-47.77
C[C@H](CNC(=O)C1=CN=NS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070047	0	30	-1.0	-45.12	290.38	-2.35	-47.47
C[C@H](CNC(=O)C1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070048	0	31	-1.0	-48.40	286.80	-1.70	-50.10
CC(=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005070049	0	39	-1.0	-43.88	330.29	1.50	-42.38
CC1=NNC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005070050	0	35	-1.0	-46.15	311.85	-1.90	-48.05
C[C@H](CNC(=O)C1=CN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070051	0	31	-1.0	-45.07	295.26	-1.80	-46.87
CCC=C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070052	0	38	-1.0	-44.20	321.41	0.80	-43.40
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005070053	0	34	-1.0	-47.45	306.68	-3.50	-50.95
CCOC(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070054	0	41	-1.0	-45.91	343.42	0.44	-45.47
C[C@H](CNC(=O)CC(F)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005070055	0	31	-1.0	-46.49	290.12	-0.84	-47.33
COC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070056	0	35	-1.0	-46.28	305.21	-1.19	-47.47
CC(C)OCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070057	0	38	-1.0	-46.60	327.56	-0.20	-46.80
CCCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070058	0	38	-1.0	-46.61	328.78	-0.13	-46.74
C[C@H](CNC(=O)C1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070059	0	36	-1.0	-44.81	307.50	-1.94	-46.75
C[C@H](CNC(=O)C1=CC=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070060	0	35	-1.0	-45.77	308.56	-1.21	-46.98
CCC(OC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070061	0	38	-1.0	-45.59	326.17	-0.34	-45.93
COCCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070062	0	41	-1.0	-45.22	349.38	-0.64	-45.86
CCCC(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070063	0	43	-1.0	-43.54	350.66	1.52	-42.02
COC(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070064	0	38	-1.0	-45.14	325.52	-0.64	-45.78
C=CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070065	0	35	-1.0	-44.11	307.02	0.07	-44.04
C[C@H](CNC(=O)C1=COCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070066	0	37	-1.0	-44.55	314.29	-0.65	-45.20
C[C@H](CNC(=O)C1CCCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070067	0	39	-1.0	-44.67	324.92	-1.10	-45.77
CCOCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070068	0	38	-1.0	-44.72	328.24	-1.21	-45.93
C[C@H](CNC(=O)C1=CSC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070069	0	31	-1.0	-47.13	295.35	-1.95	-49.08
COCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070070	0	38	-1.0	-44.07	325.10	-1.48	-45.55
C=CCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070071	0	36	-1.0	-47.01	320.19	-0.36	-47.37
C[C@H](CNC(=O)C1=COC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070072	0	31	-1.0	-47.72	287.11	-4.35	-52.07
C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070073	0	36	-1.0	-49.37	315.01	-3.35	-52.72
CC1=NC=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005070074	0	35	-1.0	-46.21	312.01	-1.56	-47.77
C[C@H](CNC(=O)C1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070075	0	41	0.0	-59.98	328.32	0.01	-59.97
C[C@H](CNC(=O)C1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070075	1	41	0.0	-61.80	328.29	0.02	-61.78
C[C@H](CNC(=O)C1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070075	1	40	-1.0	-44.92	333.66	-1.70	-46.62
CCC(=O)NCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070076	0	38	-1.0	-48.22	331.68	-2.76	-50.98
C[C@H](CNC(=O)C=CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070077	0	41	-1.0	-44.12	344.21	1.14	-42.98
CCCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070078	0	40	-1.0	-43.65	331.88	0.80	-42.85
C[C@H](CNC(=O)CCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070079	0	38	-1.0	-43.99	325.82	1.09	-42.90
CCCCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070080	0	41	-1.0	-46.51	350.28	0.65	-45.86
C[C@H](CNC(=O)CC1=NOC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070081	0	34	-1.0	-50.97	306.94	-0.91	-51.88
C[C@H](CNC(=O)CC1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070082	0	39	-1.0	-44.99	326.92	-1.20	-46.19
C[C@H](CNC(=O)C1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070083	0	36	-1.0	-43.96	308.24	0.52	-43.44
C[C@H](CNC(=O)CC1=NNC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070084	0	35	-1.0	-50.77	311.78	-1.82	-52.59
C[C@H](CNC(=O)CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070085	0	38	-1.0	-44.00	320.61	0.80	-43.20
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005070086	0	34	-1.0	-46.43	305.06	-3.63	-50.06
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005070087	0	38	-1.0	-43.90	321.57	0.87	-43.03
C[C@H](CNC(=O)C1C2CCCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005070088	0	39	-1.0	-43.58	321.21	1.57	-42.01
C[C@H](CNC(=O)CCC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070089	0	41	-1.0	-43.85	342.44	1.59	-42.26
CC=C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070090	0	35	-1.0	-44.39	301.02	0.02	-44.37
C[C@H](CNC(=O)C1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070091	0	38	-1.0	-43.64	319.17	0.63	-43.01
C[C@H](CNC(=O)C=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070092	0	36	-1.0	-44.82	311.87	0.74	-44.08
CCC(=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)CC	REAL250005070093	0	41	-1.0	-43.48	342.46	1.54	-41.94
CC(C)=C(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070094	0	35	-1.0	-44.34	306.32	0.08	-44.26
C[C@H](CNC(=O)C1=CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070095	0	36	-1.0	-44.38	309.30	0.62	-43.76
C[C@H](CNC(=O)C1=CN(C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070096	0	36	-1.0	-47.53	318.13	0.65	-46.88
C[C@H](CNC(=O)C1=CN(C)C=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070097	0	35	-1.0	-50.38	313.67	0.28	-50.10
C[C@H](CNC(=O)C1CCCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070098	0	39	-1.0	-46.11	326.65	0.12	-45.99
C[C@H](CNC(=O)C1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070099	0	38	-1.0	-43.56	319.83	0.74	-42.82
CCC(C)OCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070100	0	41	-1.0	-46.35	348.32	0.60	-45.75
C[C@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070101	0	38	-1.0	-43.56	319.84	0.75	-42.81
C[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070102	0	36	-1.0	-47.05	309.13	-0.67	-47.72
C#CCCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070103	0	39	-1.0	-45.34	342.98	1.59	-43.75
CCNC(=O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070104	0	38	-1.0	-52.88	330.28	-1.36	-54.24
COC(C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070105	0	41	-1.0	-44.53	347.42	-0.64	-45.17
C[C@H](CNC(=O)C1=CN=CN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070106	0	33	-1.0	-45.75	298.03	-0.90	-46.65
C[C@H](CNC(=O)C1=CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070107	0	37	-1.0	-44.68	315.43	-1.13	-45.81
C[C@H](CNC(=O)CC1=COC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070108	0	35	-1.0	-46.88	313.46	-0.30	-47.18
CC1=NC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005070109	0	34	-1.0	-47.12	309.10	-3.60	-50.72
C[C@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070110	0	37	-1.0	-49.43	323.86	-5.53	-54.96
CC1=CC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005070111	0	35	-1.0	-46.80	313.40	-0.15	-46.95
CCC(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070112	0	40	-1.0	-43.62	329.16	0.76	-42.86
C#CCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070113	0	36	-1.0	-46.29	321.49	0.81	-45.48
C[C@H](CNC(=O)CC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070114	0	38	-1.0	-46.02	319.69	-2.16	-48.18
COC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005070115	0	39	-1.0	-45.19	337.90	0.37	-44.82
C[C@H](CNC(=O)C1=CN=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070116	0	34	-1.0	-47.65	303.65	-2.59	-50.24
CCCCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070117	0	43	-1.0	-43.50	353.38	1.58	-41.92
C[C@H](CNC(=O)C1CC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070118	0	41	-1.0	-43.52	334.39	0.94	-42.58
CC(C)[C@@H](O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070119	0	38	-1.0	-43.85	319.88	-1.83	-45.68
C[C@H](CNC(=O)C1=CN(C)N=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070120	0	34	-1.0	-51.49	309.17	-2.64	-54.13
C[C@H](CNC(=O)C1=NN(C)C=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070121	0	34	-1.0	-52.59	308.60	-0.53	-53.12
C[C@H](CNC(=O)C1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005070122	0	32	-1.0	-45.29	296.22	-0.32	-45.61
CCC(C)=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070123	0	38	-1.0	-43.80	323.86	0.81	-42.99
CC(C)C#CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070124	0	36	-1.0	-45.89	322.10	0.76	-45.13
C[C@H](CNC(=O)CC1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070125	0	39	-1.0	-44.09	327.41	-1.08	-45.17
CC1=CNN=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070126	0	35	-1.0	-48.55	309.36	-1.81	-50.36
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005070127	0	39	-1.0	-44.67	329.59	1.50	-43.17
C[C@H](CNC(=O)C#CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070128	0	34	-1.0	-46.20	311.77	0.94	-45.26
C[C@H](CNC(=O)C#CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070129	0	39	-1.0	-45.76	342.24	1.30	-44.46
C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)C1=CC(=O)[N-]O1	REAL250005070130	0	34	-1.0	-47.38	312.18	-0.13	-47.51
C[C@H](CNC(=O)CCNC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070131	0	37	-1.0	-52.73	326.44	-5.73	-58.46
C[C@H](CNC(=O)C1CCC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070132	0	41	-1.0	-43.59	337.44	1.27	-42.32
C#CCOCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070133	0	37	-1.0	-46.33	334.02	-0.67	-47.00
C#CCOC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070134	0	37	-1.0	-48.63	332.86	0.30	-48.33
C=CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070135	0	41	-1.0	-43.59	340.30	1.06	-42.53
C[C@H](CNC(=O)C1CC12CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070136	0	39	-1.0	-43.87	330.54	1.45	-42.42
C[C@H](CNC(=O)CC(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070137	0	38	-1.0	-53.08	326.57	-0.27	-53.35
C[C@H](CNC(=O)C1=NN(C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070138	0	35	-1.0	-49.43	313.72	-1.16	-50.59
COCCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070139	0	41	-1.0	-45.55	344.05	-0.90	-46.45
C[C@H](CNC(=O)CN1N=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070140	0	33	-1.0	-51.19	303.03	-2.09	-53.28
CCCC[C@@H](C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070141	0	43	-1.0	-43.57	353.38	1.58	-41.99
CCC(C)(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070142	0	43	-1.0	-43.04	340.13	1.11	-41.93
CC(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070143	0	43	-1.0	-43.16	337.90	0.90	-42.26
C=CC(C)(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070144	0	41	-1.0	-43.04	334.56	1.02	-42.02
C[C@H](CNC(=O)CN1N=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070145	0	34	-1.0	-50.75	308.32	-2.48	-53.23
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070146	0	39	-1.0	-44.19	336.80	1.76	-42.43
CCC(C)(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070147	0	43	-1.0	-43.50	341.30	0.94	-42.56
C=C(C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070148	0	38	-1.0	-43.96	328.66	0.75	-43.21
C[C@H](CNC(=O)C1=CC=NS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070149	0	31	-1.0	-45.73	295.31	-1.31	-47.04
C[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070150	0	37	-1.0	-46.31	319.13	-1.28	-47.59
C[C@H](CNC(=O)C1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070151	0	35	-1.0	-43.97	300.98	0.12	-43.85
CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070152	0	37	-1.0	-49.57	326.24	-4.92	-54.49
C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070153	0	36	-1.0	-46.30	309.12	-0.66	-46.96
CC(CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005070154	0	41	-1.0	-43.48	340.60	1.57	-41.91
C[C@H](CNC(=O)C(C)(C)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070155	0	38	-1.0	-52.09	322.73	-2.44	-54.53
C[C@H](CNC(=O)C1(C2CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070156	0	39	-1.0	-43.46	324.90	1.73	-41.73
COC1CC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005070157	0	39	-1.0	-46.08	332.90	-1.01	-47.09
C=CCCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070158	0	39	-1.0	-46.58	341.59	0.43	-46.15
C=CCOC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070159	0	39	-1.0	-46.49	339.98	0.33	-46.16
C[C@H](CNC(=O)C1=NSC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070160	0	31	-1.0	-46.50	294.59	-1.47	-47.97
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005070161	0	41	-1.0	-43.39	338.55	1.41	-41.98
C[C@H](CNC(=O)C1COC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070162	0	39	-1.0	-44.91	327.58	-1.16	-46.07
C[C@H](CNC(=O)CCCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070163	0	38	-1.0	-52.98	331.89	-3.64	-56.62
C[C@H](CNC(=O)C1(F)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070164	0	38	-1.0	-44.68	321.83	0.65	-44.03
C[C@H](CNC(=O)C1=CN=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070165	0	35	-1.0	-48.74	308.36	0.17	-48.57
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005070166	0	43	-1.0	-42.83	338.17	0.99	-41.84
C[C@H](CNC(=O)C1=NNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070167	0	31	-1.0	-45.69	285.62	-3.92	-49.61
C[C@H](CNC(=O)C1=CN=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070167	1	31	-1.0	-46.31	284.72	-3.85	-50.16
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005070168	0	35	-1.0	-46.77	308.02	-0.79	-47.56
COCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070169	0	39	-1.0	-45.57	337.90	-0.92	-46.49
COCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070170	0	41	-1.0	-43.85	342.75	-0.84	-44.69
C[C@H](CNC(=O)C1=NN(C)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070171	0	34	-1.0	-46.70	308.68	-2.81	-49.51
C[C@H](CNC(=O)CCC(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005070172	0	34	-1.0	-45.72	306.87	-0.22	-45.94
C[C@H](CNC(=O)CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070173	0	38	-1.0	-43.79	323.64	0.78	-43.01
C[C@H](CNC(=O)C1(CCF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070174	0	38	-1.0	-44.55	331.46	0.86	-43.69
CCC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005070175	0	43	0.0	-61.16	339.01	0.42	-60.74
C[C@H](CNC(=O)C1=CSN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070176	0	30	-1.0	-48.56	290.08	-2.58	-51.14
C[C@H](CNC(=O)C1(C)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070177	0	41	-1.0	-43.50	334.04	1.15	-42.35
C[C@H](CNC(=O)C1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070178	0	31	-1.0	-46.42	287.11	-4.25	-50.67
C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070179	0	36	-1.0	-50.63	315.04	-3.36	-53.99
CCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070180	0	43	0.0	-62.26	347.52	0.87	-61.39
CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070180	1	43	0.0	-62.21	347.52	0.87	-61.34
CC1=NNC=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070181	0	35	-1.0	-46.81	308.31	-1.91	-48.72
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005070182	0	34	-1.0	-46.18	302.98	-3.25	-49.43
CC1=NNN=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070182	1	34	-1.0	-45.61	304.21	-3.32	-48.93
CCCC(OC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070183	0	41	-1.0	-44.99	347.74	0.45	-44.54
C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070184	0	41	-1.0	-43.52	335.98	0.91	-42.61
CC(CC(N)=O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070185	0	38	-1.0	-47.96	325.73	-3.83	-51.79
C[C@H](CNC(=O)C1CCNC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070186	0	36	-1.0	-51.61	311.63	-3.50	-55.11
C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070187	0	38	-1.0	-43.92	319.90	0.36	-43.56
C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070188	0	41	0.0	-59.91	333.36	0.53	-59.38
C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070188	1	41	0.0	-61.83	328.24	0.02	-61.81
C[C@H](CNC(=O)[C@H]1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070188	1	40	-1.0	-44.89	333.70	-1.74	-46.63
C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070189	0	35	-1.0	-44.18	304.61	0.19	-43.99
C[C@H](CNC(=O)C1(C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070190	0	38	-1.0	-43.66	316.63	0.54	-43.12
C[C@H](CNC(=O)C1CC(C)CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070191	0	39	-1.0	-46.64	329.36	-0.04	-46.68
C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070192	0	39	-1.0	-44.00	327.82	1.33	-42.67
CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070193	0	43	0.0	-60.46	339.88	0.56	-59.90
CCC(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070194	0	34	-1.0	-45.29	300.48	-0.45	-45.74
C[C@H](CNC(=O)CCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005070195	0	34	-1.0	-45.92	300.80	-0.35	-46.27
CC1=COC=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070196	0	35	-1.0	-46.63	310.35	-0.29	-46.92
C[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070197	0	35	-1.0	-44.02	304.60	0.19	-43.83
C[C@H](CNC(=O)C1(C)C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070198	0	39	-1.0	-43.66	327.15	1.04	-42.62
C[C@H](CNC(=O)C1=NN(C)N=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070199	0	33	-1.0	-50.25	303.56	-3.25	-53.50
CC(C)C(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070200	0	37	-1.0	-43.72	314.99	0.14	-43.58
C=CC(C)C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070201	0	41	-1.0	-43.28	339.71	1.13	-42.15
CCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005070202	0	41	-1.0	-43.79	336.69	1.01	-42.78
CC#CCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070203	0	39	-1.0	-47.01	343.31	1.77	-45.24
C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)C1=CC(=O)[N-]O1	REAL250005070204	0	37	-1.0	-44.63	318.89	-1.09	-45.72
C[C@H](CNC(=O)CCCC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070205	0	41	-1.0	-44.15	347.32	1.86	-42.29
C[C@H](CNC(=O)C1CCC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070206	0	41	-1.0	-43.32	337.54	1.00	-42.32
CC1=COC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005070207	0	35	-1.0	-45.86	314.22	-0.25	-46.11
C=CC(CC)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070208	0	41	-1.0	-43.56	344.25	1.33	-42.23
C[C@H](CNC(=O)C(C)(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070209	0	41	-1.0	-43.68	334.29	1.21	-42.47
C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070210	0	39	-1.0	-43.78	327.14	1.36	-42.42
C[C@H](CNC(=O)CC1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070211	0	34	-1.0	-47.93	307.70	-0.87	-48.80
C[C@H](CNC(=O)CCC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070212	0	43	-1.0	-43.73	349.44	1.20	-42.53
C[C@H](CNC(=O)C1=CC=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070213	0	33	-1.0	-46.41	300.36	-0.88	-47.29
C[C@H](CNC(=O)CC1=CC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070214	0	35	-1.0	-47.97	313.47	-0.13	-48.10
C[C@H](CNC(=O)C1=NC=CC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070215	0	33	-1.0	-50.10	300.92	-1.47	-51.57
CCC(C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070216	0	43	-1.0	-43.80	351.50	1.45	-42.35
C[C@H](CNC(=O)C1=CC=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070217	0	33	-1.0	-50.44	300.37	-1.80	-52.24
C[C@H](CNC(=O)C1CCOC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070218	0	39	-1.0	-45.58	323.28	-1.17	-46.75
C[C@H](CNC(=O)C1(C)CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070219	0	39	-1.0	-44.54	325.17	-1.44	-45.98
CCC(CC)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070220	0	43	-1.0	-43.59	347.19	1.37	-42.22
CCC(C)C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070221	0	43	-1.0	-43.24	344.29	1.23	-42.01
CCCC(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070222	0	43	-1.0	-43.77	352.88	1.37	-42.40
C[C@H](CNC(=O)C1CCC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070223	0	38	-1.0	-45.38	322.77	0.72	-44.66
C=CCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070224	0	38	-1.0	-44.29	328.52	0.86	-43.43
CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070225	0	40	-1.0	-43.59	325.37	0.46	-43.13
CCCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070226	0	43	-1.0	-43.53	346.87	1.23	-42.30
C[C@H](CNC(=O)C1(C(N)=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070227	0	36	-1.0	-48.67	322.47	-4.00	-52.67
C[C@H](CNC(=O)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070228	0	29	-1.0	-47.21	268.05	-5.94	-53.15
CC1=NOC=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070229	0	34	-1.0	-46.20	305.53	-0.91	-47.11
CCC1(C)CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070230	0	41	-1.0	-43.56	336.90	1.38	-42.18
COCC(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070231	0	41	-1.0	-45.36	343.88	-0.79	-46.15
C[C@H](CNC(=O)CCC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070232	0	41	-1.0	-43.90	342.17	1.45	-42.45
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005070233	0	34	-1.0	-46.61	305.32	-0.84	-47.45
C[C@H](CNC(=O)C1(C)CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070234	0	39	-1.0	-43.86	326.66	1.06	-42.80
COC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005070235	0	41	-1.0	-45.46	340.10	0.10	-45.36
C[C@H](CNC(=O)CC1CC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070236	0	38	-1.0	-44.06	322.99	0.93	-43.13
C=CC(C)(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070237	0	41	-1.0	-43.61	334.02	1.53	-42.08
C[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070238	0	39	-1.0	-45.57	326.91	-1.20	-46.77
CCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070239	0	38	-1.0	-44.03	325.88	0.73	-43.30
C[C@H](CNC(=O)CC(C)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005070240	0	34	-1.0	-48.30	304.61	-0.30	-48.60
CCCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070241	0	41	-1.0	-43.85	346.37	1.50	-42.35
CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070242	0	41	-1.0	-43.95	347.50	1.74	-42.21
CC(C)C1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070243	0	41	-1.0	-43.81	342.82	1.58	-42.23
C=C1CC(C)(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005070244	0	39	-1.0	-43.48	330.70	1.07	-42.41
C[C@H](CNC(=O)C1(CF)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070245	0	35	-1.0	-45.66	310.83	0.17	-45.49
C[C@H](CNC(=O)C1CC2(CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070246	0	39	-1.0	-43.67	331.79	1.42	-42.25
C[C@H](CNC(=O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070247	0	37	-1.0	-43.61	311.15	-0.04	-43.65
CCCCCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070248	0	43	-1.0	-43.94	358.70	1.86	-42.08
CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070249	0	43	0.0	-63.54	348.39	0.70	-62.84
CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070249	1	43	0.0	-63.62	348.39	0.70	-62.92
CC1=CON=C1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070250	0	34	-1.0	-48.28	305.63	-1.03	-49.31
C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070251	0	36	-1.0	-51.00	320.57	-3.90	-54.90
CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005070252	0	43	0.0	-59.76	338.94	0.46	-59.30
C[C@H](CNC(=O)C1(CF)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070253	0	38	-1.0	-43.66	319.99	0.61	-43.05
C[C@H](CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070254	0	34	-1.0	-52.95	307.68	0.60	-52.35
C[C@H](CNC(=O)CC1=NNC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070255	0	34	-1.0	-52.12	307.33	-1.40	-53.52
C[C@H](CNC(=O)CC1=NN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070255	1	34	-1.0	-56.27	305.94	-0.86	-57.13
CC(C)C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070256	0	40	-1.0	-43.22	326.28	0.60	-42.62
CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070257	0	38	-1.0	-44.10	326.01	0.95	-43.15
CC(C)CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070258	0	43	-1.0	-43.94	354.77	1.58	-42.36
C[C@H](CNC(=O)C1CC12CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070259	0	36	-1.0	-44.39	315.67	1.00	-43.39
C[C@H](CNC(=O)CC1=CNC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070260	0	35	-1.0	-52.12	311.24	-0.59	-52.71
C[C@H](CNC(=O)CC1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070260	1	35	-1.0	-50.56	312.09	-0.78	-51.34
C[C@H](CNC(=O)[C@@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070261	0	33	-1.0	-49.91	297.66	-4.55	-54.46
C[C@H](CNC(=O)C1=CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070262	0	39	-1.0	-44.12	324.11	1.27	-42.85
CC(=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005070263	0	41	-1.0	-43.66	340.68	1.31	-42.35
C[C@H](CNC(=O)[C@H]1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070264	0	33	-1.0	-50.18	297.65	-4.57	-54.75
C[C@H](CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070265	0	34	-1.0	-52.95	307.68	0.60	-52.35
COC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070266	0	36	-1.0	-44.94	308.00	-1.69	-46.63
C[C@H](CNC(=O)C1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070267	0	33	-1.0	-45.98	298.67	-0.41	-46.39
C[C@H](CNC(=O)C1(O)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070268	0	39	-1.0	-45.06	324.00	-2.42	-47.48
C=CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070269	0	32	-1.0	-44.49	285.62	-0.71	-45.20
C[C@H](CNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070270	0	37	0.0	-62.94	308.30	-0.54	-63.48
C[C@H](CNC(=O)CN(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070270	1	36	-1.0	-44.68	306.21	-2.92	-47.60
C=CC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070271	0	33	-1.0	-44.41	294.06	-2.66	-47.07
C[C@H](CNC(=O)CCCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005070272	0	36	-1.0	-45.84	324.35	-3.83	-49.67
C[C@H](CNC(=O)C1OCC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070273	0	39	-1.0	-45.93	329.92	-0.40	-46.33
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005070274	0	40	-1.0	-44.92	332.43	-2.42	-47.34
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005070274	1	41	0.0	-59.78	336.50	0.53	-59.25
C[C@H](CNC(=O)[C@H]1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005070275	0	32	-1.0	-45.33	296.22	-0.31	-45.64
C[C@H](CNC(=O)CC1=CNN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070276	0	35	-1.0	-48.78	312.57	-1.78	-50.56
CC(C)NC(=O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070277	0	38	-1.0	-47.11	332.10	-2.78	-49.89
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005070278	0	37	-1.0	-44.21	316.31	-0.60	-44.81
C[C@H](CNC(=O)C=C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070279	0	39	-1.0	-44.29	328.12	1.35	-42.94
C[C@H](CNC(=O)C[N@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070280	0	41	0.0	-59.67	337.56	0.86	-58.81
C[C@H](CNC(=O)C[N@@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070280	1	41	0.0	-59.83	337.57	0.87	-58.96
C[C@H](CNC(=O)CN(C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070280	1	40	-1.0	-44.55	331.58	-1.52	-46.07
C[C@H](CNC(=O)C1(CO)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070281	0	37	-1.0	-47.80	316.47	-4.88	-52.68
CC(C)=CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070282	0	41	-1.0	-44.00	345.66	1.49	-42.51
C[C@H](CNC(=O)C1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070283	0	33	-1.0	-44.78	290.07	-2.74	-47.52
C[C@H](CNC(=O)C1CCC(C)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070284	0	39	-1.0	-46.99	330.05	0.12	-46.87
C[C@H](CNC(=O)CC1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070285	0	39	-1.0	-45.18	334.27	-2.56	-47.74
C[C@H](CNC(=O)CC1C[NH+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070286	0	41	0.0	-63.80	339.73	0.30	-63.50
C[C@H](CNC(=O)C1CC(C)(O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070287	0	39	-1.0	-46.25	330.36	-2.80	-49.05
CO[C@H](C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070288	0	35	-1.0	-46.32	305.21	-1.19	-47.51
CC1=NNC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005070289	0	34	-1.0	-46.12	307.72	-1.95	-48.07
CC1=NN=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005070289	1	34	-1.0	-51.09	307.93	-1.69	-52.78
C[C@H](CNC(=O)C1=COC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070290	0	32	-1.0	-49.08	295.84	-3.88	-52.96
C[C@H](CNC(=O)C1=COC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070290	1	31	-2.0	-94.35	293.72	-5.55	-99.90
CC=CC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070291	0	36	-1.0	-44.22	315.77	-1.80	-46.02
CCCC[C@H](C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070292	0	43	-1.0	-43.54	353.37	1.60	-41.94
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070293	0	40	0.0	-60.43	326.19	-0.12	-60.55
C[C@H](CNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070293	1	39	-1.0	-44.41	320.37	-2.54	-46.95
CCC=C(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070294	0	35	-1.0	-44.35	311.55	0.15	-44.20
CCC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070295	0	35	-1.0	-44.43	307.37	0.11	-44.32
C[C@H](CNC(=O)C1CCC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070297	0	36	-1.0	-50.56	314.99	-3.36	-53.92
C[C@H](CNC(=O)C(C)(C)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005070298	0	38	-1.0	-44.57	320.49	-3.24	-47.81
C[C@H](CNC(=O)C1=NC=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070299	0	35	-1.0	-49.16	309.42	-0.47	-49.63
C[C@H](CNC(=O)CC(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070300	0	39	-1.0	-46.27	335.67	-1.36	-47.63
CC(=CC1CC1)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070301	0	39	-1.0	-44.17	331.94	1.56	-42.61
C[C@H](CNC(=O)C1CCC=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070302	0	37	-1.0	-46.24	318.31	0.40	-45.84
C[C@H](CNC(=O)CC1CSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070303	0	36	-1.0	-46.30	320.40	0.43	-45.87
C[C@H](CNC(=O)C1(F)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070304	0	35	-1.0	-44.63	305.90	0.05	-44.58
C[C@H](CNC(=O)C=CC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070305	0	33	-1.0	-49.44	302.67	-4.62	-54.06
C#CCSCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070306	0	34	-1.0	-47.78	323.01	0.59	-47.19
CC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070307	0	32	-1.0	-47.61	283.84	-3.42	-51.03
C[C@H](CNC(=O)C1(O)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070308	0	36	-1.0	-44.88	307.55	-3.02	-47.90
C[C@H](CNC(=O)C(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070309	0	36	-1.0	-44.64	311.79	-1.58	-46.22
C[C@H](CNC(=O)CN1C=NN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070310	0	34	-1.0	-53.73	308.20	1.51	-52.22
C=CCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070311	0	38	-1.0	-43.66	324.89	0.64	-43.02
C[C@H](CNC(=O)C1CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005070312	0	32	-1.0	-44.16	290.02	-0.39	-44.55
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070313	0	40	0.0	-60.43	326.19	-0.12	-60.55
C[C@H](CNC(=O)[C@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070313	1	39	-1.0	-44.41	320.37	-2.54	-46.95
C[C@H](CNC(=O)CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005070314	0	31	-1.0	-44.18	279.30	-1.11	-45.29
C[C@H](CNC(=O)CN1C=CN=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070315	0	34	-1.0	-55.18	306.79	-2.12	-57.30
C=CC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005070316	0	39	-1.0	-43.70	326.76	1.56	-42.14
C[C@H](CNC(=O)C1(O)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070317	0	34	-1.0	-46.00	298.30	-5.28	-51.28
CCC(C)C(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070318	0	41	-1.0	-43.84	338.29	-1.19	-45.03
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005070319	0	36	-1.0	-45.03	315.49	0.98	-44.05
CCC1CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070320	0	38	-1.0	-43.62	320.53	0.97	-42.65
CC(O)CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070321	0	41	-1.0	-46.29	347.51	-2.22	-48.51
C[C@H](CNC(=O)CC1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070322	0	36	-1.0	-47.13	314.65	-3.24	-50.37
C[C@H](CNC(=O)C=CCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005070323	0	32	-1.0	-46.04	292.46	-0.54	-46.58
C[C@H](CNC(=O)C(F)CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070324	0	38	-1.0	-45.08	332.06	1.11	-43.97
CCC(CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)OC	REAL250005070325	0	41	-1.0	-45.39	340.88	0.29	-45.10
C[C@H](CNC(=O)C1=C(Cl)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070326	0	33	-1.0	-45.46	310.80	0.52	-44.94
C[C@H](CNC(=O)[C@]12C[C@H]1[C@H](F)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070327	0	36	-1.0	-46.36	318.30	0.81	-45.55
C[C@H](CNC(=O)C1=CCCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070328	0	37	-1.0	-46.09	315.43	-1.12	-47.21
C[C@H](CNC(=O)C(O)C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070329	0	41	-1.0	-44.46	333.94	-2.25	-46.71
C#CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070330	0	33	-1.0	-44.78	299.99	0.03	-44.75
C[C@H](CNC(=O)CN1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070331	0	37	-1.0	-45.51	314.07	-3.33	-48.84
C[C@H](CNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070331	1	38	0.0	-62.40	318.39	-0.12	-62.52
CC(C)C(O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070332	0	41	-1.0	-46.25	341.55	-1.60	-47.85
CCCC(C)(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070333	0	41	-1.0	-43.87	341.51	-2.37	-46.24
CCOC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070334	0	41	-1.0	-46.19	339.02	0.21	-45.98
C#C[C@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070335	0	34	-1.0	-46.35	306.10	0.68	-45.67
C[C@H](CNC(=O)C1(N=[N+]=[N-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070336	0	34	-1.0	-45.76	306.44	-3.41	-49.17
C[C@H](CNC(=O)C1=CNC(=O)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070337	0	32	-1.0	-52.35	297.01	-3.68	-56.03
CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070338	0	41	-1.0	-43.97	345.07	1.51	-42.46
C[C@H](CNC(=O)C1C2CCC21)NC(=O)C1=CC(=O)[N-]O1	REAL250005070339	0	36	-1.0	-44.42	310.59	0.90	-43.52
C=C1CCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070340	0	36	-1.0	-44.17	313.00	0.52	-43.65
C[C@H](CNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070341	0	38	-1.0	-43.41	313.40	0.70	-42.71
C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070342	0	40	0.0	-61.37	326.43	-0.11	-61.48
C[C@H](CNC(=O)[C@@H](C)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070342	1	39	-1.0	-43.98	317.91	-2.60	-46.58
CC=CC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070343	0	36	-1.0	-44.67	321.45	0.78	-43.89
C[C@H](CNC(=O)C1=NC=NN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070344	0	34	-1.0	-46.90	304.17	-0.53	-47.43
C[C@H](CNC(=O)[C@@H]1CC[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070345	0	39	-1.0	-45.69	326.92	-2.75	-48.44
C[C@H](CNC(=O)[C@@H]1CC=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070346	0	39	-1.0	-43.71	326.27	1.20	-42.51
COCC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070347	0	36	-1.0	-45.99	319.63	-1.61	-47.60
C[C@H](CNC(=O)CN1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070348	0	40	-1.0	-45.46	336.20	-2.33	-47.79
C[C@H](CNC(=O)C[NH+]1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070348	1	41	0.0	-61.98	339.56	0.57	-61.41
C[C@H](CNC(=O)C1(C)COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070349	0	36	-1.0	-44.05	308.42	-2.15	-46.20
C[C@H](CNC(=O)C1=CCCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070350	0	37	-1.0	-45.02	317.10	-0.55	-45.57
C[C@H](CNC(=O)C1=CCCS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070351	0	34	-1.0	-47.27	309.81	0.27	-47.00
CC1=NOC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005070352	0	36	-1.0	-51.37	318.08	-0.59	-51.96
C[C@H](CNC(=O)C(=O)NC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070353	0	36	-1.0	-47.02	321.58	-2.72	-49.74
C[C@H](CNC(=O)C1CCSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070354	0	36	-1.0	-44.37	315.24	0.36	-44.01
C[C@H](CNC(=O)C1CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070355	0	33	-1.0	-46.91	291.60	-1.71	-48.62
C[C@H](CNC(=O)CCN=[N+]=[N-])NC(=O)C1=CC(=O)[N-]O1	REAL250005070356	0	33	-1.0	-44.20	302.83	-4.64	-48.84
C#CCOCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070357	0	34	-1.0	-49.22	313.07	-0.40	-49.62
C[C@H](CNC(=O)CC1=NN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070358	0	33	-1.0	-52.00	302.84	-6.08	-58.08
C[C@H](CNC(=O)C1CCCS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070359	0	36	-1.0	-45.30	317.13	0.37	-44.93
C[C@H](CNC(=O)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070360	0	35	-1.0	-44.46	303.19	-3.83	-48.29
CC1=CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070361	0	33	-1.0	-45.24	298.27	0.21	-45.03
C[C@H](CNC(=O)C(=O)N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070362	0	35	-1.0	-47.42	305.20	-2.42	-49.84
CSC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070363	0	33	-1.0	-44.96	308.33	-0.35	-45.31
CCC(C)(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070364	0	38	-1.0	-44.26	319.81	-3.16	-47.42
CC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070365	0	40	0.0	-61.90	326.02	0.13	-61.77
CC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070365	1	40	0.0	-61.82	326.02	0.14	-61.68
CCN(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070365	1	39	-1.0	-44.53	324.18	-2.13	-46.66
CCC=CC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070366	0	39	-1.0	-44.61	342.54	1.54	-43.07
C[C@H](CNC(=O)C1=CC(=O)N[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070367	0	32	-2.0	-89.62	298.54	-4.56	-94.18
CC1=CC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005070368	0	36	-1.0	-47.81	317.25	-0.52	-48.33
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005070369	0	39	-1.0	-44.13	326.27	1.32	-42.81
C=C1CC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005070370	0	36	-1.0	-43.85	312.95	0.53	-43.32
C[C@H](CNC(=O)C(C)(O)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070371	0	39	-1.0	-44.40	328.48	-2.52	-46.92
CC1=NC=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL250005070372	0	34	-1.0	-45.82	309.10	-3.49	-49.31
C[C@H](CNC(=O)C1CCC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005070373	0	35	-1.0	-46.74	305.21	0.07	-46.67
C[C@H](CNC(=O)C1=CN=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070374	0	32	-1.0	-46.84	290.03	-1.40	-48.24
CC1=NOC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005070375	0	33	-1.0	-47.41	303.64	-3.48	-50.89
C[C@H](CNC(=O)C1CC2CC2C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070376	0	39	-1.0	-43.57	325.13	1.29	-42.28
C[C@H](CNC(=O)C1=CCSC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070377	0	34	-1.0	-45.24	308.32	0.33	-44.91
CCCC(O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070378	0	41	-1.0	-46.30	346.38	-1.33	-47.63
C[C@H](CNC(=O)C1(Cl)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070379	0	32	-1.0	-44.50	298.70	0.04	-44.46
C[C@H](CNC(=O)C1=CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070380	0	34	-1.0	-45.72	300.80	-1.37	-47.09
C[C@H](CNC(=O)C=CC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070381	0	41	0.0	-66.53	345.52	0.71	-65.82
CCC[C@H](O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070382	0	38	-1.0	-44.68	325.49	-1.78	-46.46
CCC(C)(OC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070383	0	41	-1.0	-43.68	335.02	-0.80	-44.48
CC(C)[C@H](O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070384	0	38	-1.0	-44.45	319.79	-1.86	-46.31
CC(C)C(CO)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070385	0	41	-1.0	-43.67	335.17	-2.20	-45.87
CCOC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070386	0	36	-1.0	-45.73	319.35	-1.03	-46.76
CCN1CCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070387	0	40	-1.0	-45.60	336.14	-2.58	-48.18
CC[N@@H+]1CCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070387	1	41	0.0	-60.23	332.86	0.13	-60.10
CC[N@H+]1CCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070387	1	41	0.0	-60.66	339.92	0.49	-60.17
C[C@H](CNC(=O)C1CCCC1O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070388	0	39	-1.0	-46.38	326.06	-2.61	-48.99
C[C@@H](O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070389	0	32	-1.0	-44.65	283.50	-3.38	-48.03
CCC(C)=C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070390	0	41	-1.0	-43.65	337.00	1.46	-42.19
COC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005070391	0	39	-1.0	-43.91	327.59	-0.88	-44.79
C[C@H](CNC(=O)CCC(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070392	0	41	-1.0	-44.87	342.60	-2.46	-47.33
C[C@H](CNC(=O)C1=CSN=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070393	0	31	-1.0	-44.59	294.00	-1.30	-45.89
C[C@H](CNC(=O)C1(C)CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070394	0	41	-1.0	-43.48	332.67	1.00	-42.48
CNC(=O)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070395	0	38	-1.0	-49.12	332.32	-2.94	-52.06
C[C@H](CNC(=O)CCCCF)NC(=O)C1=CC(=O)[N-]O1	REAL250005070396	0	37	-1.0	-44.85	322.30	0.43	-44.42
C[C@H](CNC(=O)C=CCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005070397	0	33	-1.0	-47.30	297.38	-4.02	-51.32
C[C@H](CNC(=O)CC1=CN=CO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070398	0	34	-1.0	-49.66	308.15	-3.41	-53.07
COC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070399	0	38	-1.0	-46.23	317.16	-0.72	-46.95
C[C@H](CNC(=O)C(C)(C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070400	0	43	0.0	-60.60	335.76	0.63	-59.97
C[C@H](CNC(=O)C(F)(F)CO)NC(=O)C1=CC(=O)[N-]O1	REAL250005070401	0	32	-1.0	-46.38	295.27	-4.31	-50.69
C[C@H](CNC(=O)CCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005070402	0	38	-1.0	-45.97	327.13	-3.05	-49.02
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005070403	0	34	-1.0	-45.79	305.04	-0.72	-46.51
C[C@H](CNC(=O)C1CNC(=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070404	0	36	-1.0	-48.58	313.28	-3.68	-52.26
C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070405	0	35	-1.0	-52.00	308.96	-5.82	-57.82
C[C@H](CNC(=O)C1=CN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070406	0	31	-1.0	-45.07	295.26	-1.80	-46.87
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL250005070407	0	36	-1.0	-45.27	317.12	-0.59	-45.86
C[C@H](CNC(=O)C1(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070408	0	36	-1.0	-47.14	316.90	-3.34	-50.48
COC1(CC(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070409	0	39	-1.0	-45.94	332.84	-0.97	-46.91
CC[C@H](C)[C@H](O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070410	0	41	-1.0	-44.32	336.13	-0.75	-45.07
C[C@H](CNC(=O)[C@]12C[C@H]1[C@H](O)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070411	0	37	-1.0	-47.23	323.05	-2.67	-49.90
COC(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070412	0	32	-1.0	-46.91	291.33	-2.42	-49.33
C[C@H](CNC(=O)C12CC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070413	0	36	-1.0	-44.40	311.66	0.72	-43.68
CCCC(C)=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070414	0	41	-1.0	-43.67	345.36	1.59	-42.08
C=C[C@H](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070415	0	38	-1.0	-43.71	323.72	0.64	-43.07
C[C@H](CNC(=O)C=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070416	0	36	-1.0	-44.40	318.25	0.93	-43.47
CC=C(CC)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070417	0	38	-1.0	-44.19	322.06	0.73	-43.46
C[C@H](CNC(=O)CC12CC(C1)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070418	0	39	-1.0	-44.42	326.31	1.47	-42.95
CCC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005070419	0	41	-1.0	-44.07	335.85	-2.61	-46.68
C=CC(C)(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070420	0	36	-1.0	-44.61	313.37	-3.09	-47.70
CCC(C)(CO)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070421	0	41	-1.0	-45.76	335.28	-2.81	-48.57
C[C@H](CNC(=O)C1([NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070422	0	41	0.0	-61.28	337.08	0.71	-60.57
C[C@H](CNC(=O)C1(N(C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070422	1	40	-1.0	-42.88	329.24	-1.31	-44.19
C[C@H](CNC(=O)C12CC(C1)CO2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070423	0	37	-1.0	-45.25	316.31	-1.28	-46.53
C[C@H](CNC(=O)[C@H](C)C(C)(C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070424	0	41	-1.0	-45.60	332.52	-1.46	-47.06
C[C@H](CNC(=O)C12CC(C1)OC2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070425	0	37	-1.0	-45.77	316.96	-1.46	-47.23
CC(O)C1CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070426	0	39	-1.0	-45.64	329.17	-0.88	-46.52
C[C@H](CNC(=O)[C@]12C[C@H]1[C@H](C)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070427	0	39	-1.0	-44.21	332.65	1.36	-42.85
C[C@H](CNC(=O)CN1C=NC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070428	0	34	-1.0	-52.95	307.68	0.60	-52.35
C[C@H](CNC(=O)C#CC1(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070429	0	37	-1.0	-46.20	332.72	1.45	-44.75
C[C@H](CNC(=O)C1=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070430	0	33	-1.0	-44.93	293.18	0.03	-44.90
C[C@H](CNC(=O)C1=CC=C(F)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070431	0	32	-1.0	-45.34	298.75	-0.83	-46.17
CON=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070432	0	32	-1.0	-47.18	295.17	-2.69	-49.87
C#CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070433	0	39	-1.0	-43.98	334.61	1.04	-42.94
C[C@H](CNC(=O)CN(C)C(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070434	0	37	-1.0	-51.62	322.77	-3.76	-55.38
C[C@H](CNC(=O)C1=NC(=O)N[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070435	0	31	-2.0	-93.17	293.14	-5.85	-99.02
C[C@H](CNC(=O)C1(F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070436	0	32	-1.0	-44.85	289.42	-0.45	-45.30
C[C@H](CNC(=O)COCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005070437	0	36	-1.0	-49.77	318.66	-4.06	-53.83
C[C@H](CNC(=O)C(C)(C)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005070438	0	37	-1.0	-43.17	316.15	0.05	-43.12
CC(C)[C@@H](O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070439	0	41	-1.0	-46.13	341.56	-1.60	-47.73
CSC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070440	0	36	-1.0	-43.46	325.61	0.67	-42.79
C[C@H](CNC(=O)C1=NOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070441	0	33	-1.0	-47.19	296.74	-2.40	-49.59
C[C@H](CNC(=O)C1(CCO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070442	0	39	-1.0	-45.57	336.29	-2.62	-48.19
CC(C)C(C)(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070443	0	41	-1.0	-43.98	334.51	-2.42	-46.40
CC(C[NH+](C)C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070444	0	43	0.0	-63.57	346.70	0.72	-62.85
C[C@H](CNC(=O)C1=NN=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070445	0	30	-1.0	-49.12	291.27	-2.90	-52.02
C[C@H](CNC(=O)C(F)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070446	0	38	-1.0	-43.93	323.34	0.81	-43.12
C[C@H](CNC(=O)C1CC(C)(C)O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070447	0	39	-1.0	-46.59	333.17	-0.33	-46.92
C[C@H](CNC(=O)C1=NOC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070448	0	36	-1.0	-47.03	317.83	-1.64	-48.67
C[C@H](CNC(=O)C1CC(C)(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070449	0	38	-1.0	-44.50	326.88	0.72	-43.78
COCC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070450	0	36	-1.0	-46.42	316.86	-4.09	-50.51
C#CC(C)(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070451	0	36	-1.0	-45.70	316.96	0.40	-45.30
C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070452	0	35	-1.0	-51.28	308.94	-5.81	-57.09
C[C@H](CNC(=O)CN1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070453	0	40	-1.0	-45.33	336.53	-2.33	-47.66
C[C@H](CNC(=O)C[N@@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070453	1	41	0.0	-60.57	339.63	0.55	-60.02
C[C@H](CNC(=O)C[N@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070453	1	41	0.0	-60.29	334.08	0.28	-60.01
C[C@H](CNC(=O)COC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070454	0	36	-1.0	-47.28	317.65	-0.14	-47.42
C[C@H](CNC(=O)C1=NC=CN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070455	0	32	-1.0	-48.83	291.16	-2.21	-51.04
C[C@H](CNC(=O)C=CC1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070456	0	39	-1.0	-44.17	334.69	1.46	-42.71
CCCC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070457	0	38	-1.0	-44.24	328.87	0.89	-43.35
CC=C(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070458	0	32	-1.0	-44.45	291.25	-0.59	-45.04
CCC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005070459	0	43	-1.0	-43.12	342.72	1.09	-42.03
C[C@H](CNC(=O)C(F)=C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070460	0	36	-1.0	-45.20	317.50	0.82	-44.38
CCC(CO)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070461	0	38	-1.0	-45.27	318.74	-2.83	-48.10
CC(CO)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070462	0	35	-1.0	-44.78	302.84	-3.89	-48.67
C[C@H](CNC(=O)C1=CON=C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070463	0	31	-1.0	-46.27	286.18	-1.49	-47.76
C[C@H](CNC(=O)[C@@H]1C[C@H]1CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005070464	0	35	-1.0	-46.56	311.26	0.33	-46.23
C#CC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070465	0	34	-1.0	-43.94	308.92	0.58	-43.36
C[C@H](CNC(=O)C1=COCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070466	0	34	-1.0	-44.65	299.41	-1.42	-46.07
C[C@H](CNC(=O)[C@H](C)O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070467	0	32	-1.0	-45.18	283.50	-3.39	-48.57
C[C@H](CNC(=O)C1=CC(F)=NN1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070468	0	32	-1.0	-45.39	297.03	-2.66	-48.05
C[C@H](CNC(=O)C1C=CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070469	0	36	-1.0	-43.98	308.35	0.54	-43.44
CC(O)C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070470	0	38	-1.0	-45.69	319.80	-2.18	-47.87
C[C@H](CNC(=O)C1(O)CCOC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070471	0	37	-1.0	-45.59	314.91	-5.00	-50.59
C=C1CC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070472	0	33	-1.0	-44.50	296.78	0.09	-44.41
C[C@H](CNC(=O)CC1CC=CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070473	0	39	-1.0	-44.34	328.75	1.27	-43.07
CC(CF)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070474	0	34	-1.0	-43.53	298.06	-0.48	-44.01
C[C@H](CNC(=O)C1=CC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070475	0	39	-1.0	-44.44	335.51	1.24	-43.20
C[C@H](CNC(=O)[C@@H]1CC1(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005070476	0	32	-1.0	-46.94	294.71	-0.28	-47.22
CC(=O)NCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070477	0	38	-1.0	-52.22	333.50	-2.94	-55.16
C[C@H](CNC(=O)C1=CNC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070478	0	33	-1.0	-50.27	299.73	-4.32	-54.59
C[C@H](CNC(=O)C1CCCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070479	0	41	-1.0	-43.67	335.98	1.23	-42.44
C=C(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070480	0	35	-1.0	-44.18	307.26	-0.05	-44.23
CCSCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070481	0	35	-1.0	-45.80	317.24	0.07	-45.73
CC(C)=C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070482	0	38	-1.0	-43.86	316.10	0.75	-43.11
CCCC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070483	0	38	-1.0	-44.71	325.49	-1.79	-46.50
CCCCC(O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070484	0	41	-1.0	-44.73	346.99	-1.01	-45.74
C[C@H](CNC(=O)CSC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070485	0	36	-1.0	-45.64	327.82	0.90	-44.74
CCC(O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070486	0	38	-1.0	-46.44	324.88	-2.10	-48.54
CC(Cl)=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070487	0	32	-1.0	-45.09	298.26	-0.14	-45.23
CC=CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070488	0	32	-1.0	-44.58	286.28	-0.65	-45.23
CCC(F)(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070489	0	34	-1.0	-44.06	304.46	-0.35	-44.41
C[C@H](CNC(=O)C1(C)CC1F)NC(=O)C1=CC(=O)[N-]O1	REAL250005070490	0	35	-1.0	-44.12	307.18	0.21	-43.91
C[C@H](CNC(=O)[C@H]1C[C@@H](O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070491	0	36	-1.0	-46.62	310.87	-3.38	-50.00
C[C@H](CNC(=O)CC1CC1(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070492	0	41	-1.0	-44.07	343.67	1.43	-42.64
CC(NC(N)=O)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070493	0	37	-1.0	-48.41	323.87	-5.52	-53.93
C=C(C)CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070494	0	41	-1.0	-44.40	349.87	1.51	-42.89
C[C@H](CNC(=O)C1(C)CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070495	0	38	-1.0	-46.63	321.13	0.65	-45.98
C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070496	0	35	-1.0	-44.18	304.61	0.19	-43.99
C[C@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)NC(=O)C1=CC(=O)[N-]O1	REAL250005070497	0	39	-1.0	-43.87	325.72	1.28	-42.59
C[C@H](CNC(=O)COC1COC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070498	0	37	-1.0	-47.59	325.09	-2.35	-49.94
C[C@H](CNC(=O)[C@@]12C[C@@H]1[C@H](C)C2)NC(=O)C1=CC(=O)[N-]O1	REAL250005070499	0	39	-1.0	-44.12	331.34	1.33	-42.79
CNC(=O)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070500	0	35	-1.0	-53.30	308.80	-2.20	-55.50
C=CC=CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070501	0	36	-1.0	-44.88	320.87	0.71	-44.17
C#CC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005070502	0	37	-1.0	-43.77	324.83	1.02	-42.75
C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070503	0	41	0.0	-59.97	328.27	0.02	-59.95
C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070503	1	41	0.0	-59.72	334.09	0.49	-59.23
C[C@H](CNC(=O)[C@@H]1CCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070503	1	40	-1.0	-45.10	333.40	-1.93	-47.03
C[C@H](CNC(=O)C1CC=CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070504	0	37	-1.0	-46.37	318.78	-0.01	-46.38
C[C@H](CNC(=O)CCOC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070505	0	39	-1.0	-44.96	338.60	-0.43	-45.39
C[C@H](CNC(=O)CCCCCO)NC(=O)C1=CC(=O)[N-]O1	REAL250005070506	0	41	-1.0	-46.64	348.62	-2.27	-48.91
C[C@H](CNC(=O)C1=CSC=N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070507	0	31	-1.0	-47.13	295.35	-1.95	-49.08
C[C@H](CNC(=O)C1(CO)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070508	0	39	-1.0	-43.91	324.47	-2.16	-46.07
C[C@H](CNC(=O)CCC(N)=O)NC(=O)C1=CC(=O)[N-]O1	REAL250005070509	0	35	-1.0	-48.89	310.39	-4.42	-53.31
C=CCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070510	0	39	-1.0	-44.02	338.26	1.31	-42.71
C[C@H](CNC(=O)COC(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL250005070511	0	32	-1.0	-47.27	297.03	-1.54	-48.81
COC(C)(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070512	0	41	-1.0	-45.81	335.25	0.01	-45.80
CC(O)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070513	0	38	-1.0	-45.16	326.01	-2.99	-48.15
C#CCC(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070514	0	36	-1.0	-44.24	317.86	0.58	-43.66
CC(CCO)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070515	0	38	-1.0	-46.59	321.80	-3.31	-49.90
C[C@H](CNC(=O)C(F)=CC1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070516	0	36	-1.0	-44.46	322.79	0.98	-43.48
C[C@H](CNC(=O)CC1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070517	0	38	-1.0	-44.99	327.25	0.90	-44.09
C[C@H](CNC(=O)[C@H](O)CF)NC(=O)C1=CC(=O)[N-]O1	REAL250005070518	0	32	-1.0	-45.93	289.81	-3.23	-49.16
C[C@H](CNC(=O)C1=NN=CN1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070519	0	34	-1.0	-52.20	304.57	0.15	-52.05
C[C@H](CNC(=O)C1(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070520	0	33	-1.0	-44.92	291.54	-3.56	-48.48
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1	REAL250005070521	0	35	-1.0	-45.38	303.65	0.27	-45.11
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)F	REAL250005070522	0	34	-1.0	-43.34	299.53	-0.61	-43.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(F)F	REAL250005070523	0	31	-1.0	-44.31	284.56	-1.08	-45.39
COCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070524	0	32	-1.0	-48.13	285.43	-1.90	-50.03
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC=N1	REAL250005070525	0	34	-1.0	-47.13	305.31	-0.67	-47.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=C1	REAL250005070526	0	34	-1.0	-46.54	303.28	-0.73	-47.27
CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070527	0	34	-1.0	-45.07	294.21	-0.51	-45.58
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN=C1	REAL250005070528	0	34	-1.0	-47.21	303.08	-0.73	-47.94
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CO1	REAL250005070529	0	32	-1.0	-46.44	292.32	-0.95	-47.39
CC(=O)NCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070530	0	35	-1.0	-48.52	311.08	-3.57	-52.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC=C1	REAL250005070531	0	35	-1.0	-46.20	308.10	1.04	-45.16
CC(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070532	0	37	-1.0	-44.71	310.94	0.09	-44.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCCC1	REAL250005070533	0	41	-1.0	-44.55	333.86	1.29	-43.26
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CC=N1	REAL250005070534	0	33	-1.0	-46.94	300.10	-2.55	-49.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCCC1	REAL250005070535	0	41	-1.0	-44.82	335.91	1.34	-43.48
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CS1	REAL250005070536	0	32	-1.0	-45.38	300.24	0.04	-45.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1C	REAL250005070537	0	35	-1.0	-44.95	304.60	0.17	-44.78
CCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070538	0	35	-1.0	-48.04	307.28	-0.95	-48.99
CC(C)=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070539	0	35	-1.0	-44.58	302.19	0.05	-44.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCCO1	REAL250005070540	0	35	-1.0	-49.81	306.26	-1.32	-51.13
CC(=O)NC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070541	0	38	-1.0	-47.55	330.64	-2.74	-50.29
CC1=CC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005070542	0	35	-1.0	-46.18	314.24	-0.13	-46.31
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCO1	REAL250005070543	0	36	-1.0	-47.58	309.14	-0.70	-48.28
CSCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070544	0	32	-1.0	-47.26	295.77	-0.85	-48.11
CC1=CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL250005070545	0	34	-1.0	-47.16	308.74	-0.88	-48.04
CSCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070546	0	35	-1.0	-45.15	317.44	-0.03	-45.18
CC(C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070547	0	40	-1.0	-44.99	333.27	0.78	-44.21
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=C1	REAL250005070548	0	32	-1.0	-46.02	299.44	-0.04	-46.06
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C=CO1	REAL250005070549	0	35	-1.0	-46.10	309.76	-0.18	-46.28
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C=CCC1	REAL250005070550	0	39	-1.0	-45.64	328.30	1.26	-44.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NN=N1	REAL250005070551	0	33	-1.0	-59.56	301.50	-1.74	-61.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)N=C1	REAL250005070552	0	35	-1.0	-48.99	313.13	-1.21	-50.20
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CCC1	REAL250005070553	0	39	-1.0	-44.74	326.14	1.19	-43.55
CC1=NOC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005070554	0	34	-1.0	-46.41	308.77	-0.93	-47.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1	REAL250005070555	0	33	-1.0	-47.46	295.21	-1.17	-48.63
CC(=O)CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070556	0	39	-1.0	-52.40	338.80	0.19	-52.21
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=C1	REAL250005070557	0	32	-1.0	-48.34	291.49	-0.99	-49.33
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=CC=N1	REAL250005070558	0	35	-1.0	-53.52	312.94	-0.86	-54.38
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)OC=C1	REAL250005070559	0	35	-1.0	-46.35	310.21	-0.27	-46.62
CCCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070560	0	40	-1.0	-45.03	337.20	1.06	-43.97
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C	REAL250005070561	0	40	-1.0	-43.97	325.90	0.62	-43.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN1C	REAL250005070562	0	36	-1.0	-46.90	313.16	0.49	-46.41
CCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070563	0	37	-1.0	-45.10	315.71	0.27	-44.83
CC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070564	0	34	-1.0	-44.80	292.25	-0.60	-45.40
CCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070565	0	37	-1.0	-44.74	310.38	0.05	-44.69
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSCC#N	REAL250005070566	0	33	-1.0	-52.93	316.59	-0.21	-53.14
CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070567	0	38	-1.0	-54.90	329.69	-1.26	-56.16
CCC(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070568	0	40	-1.0	-44.61	326.22	0.55	-44.06
CC(C)OCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070569	0	41	-1.0	-45.44	348.51	-0.49	-45.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COCCO1	REAL250005070570	0	37	-1.0	-48.42	317.64	-1.89	-50.31
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1	REAL250005070571	0	32	-1.0	-46.77	289.91	-2.48	-49.25
CSC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070572	0	35	-1.0	-46.46	314.32	-0.27	-46.73
CCOC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070573	0	38	-1.0	-47.59	327.07	-0.25	-47.84
CCOCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070574	0	41	-1.0	-47.40	349.73	-0.47	-47.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COCC1CC1	REAL250005070575	0	39	-1.0	-48.21	338.95	0.64	-47.57
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCCO1	REAL250005070576	0	39	-1.0	-48.61	328.74	-0.34	-48.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1	REAL250005070577	0	32	-1.0	-48.06	290.20	-2.53	-50.59
COCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070578	0	38	-1.0	-47.41	327.88	-1.44	-48.85
CCOC1CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070579	0	39	-1.0	-45.58	338.79	-0.60	-46.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSN=C1	REAL250005070580	0	30	-1.0	-44.67	289.05	-2.98	-47.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NS1	REAL250005070581	0	30	-1.0	-46.01	290.38	-2.35	-48.36
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC=C1	REAL250005070582	0	31	-1.0	-47.92	286.80	-1.71	-49.63
CC(=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005070583	0	39	-1.0	-44.45	330.29	1.49	-42.96
CC1=NNC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005070584	0	35	-1.0	-46.99	311.86	-1.92	-48.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CS1	REAL250005070585	0	31	-1.0	-46.20	295.26	-1.81	-48.01
CCC=C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070586	0	38	-1.0	-45.15	321.41	0.81	-44.34
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)N=CO1	REAL250005070587	0	34	-1.0	-47.17	305.10	-3.54	-50.71
CCOC(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070588	0	41	-1.0	-46.71	348.03	0.61	-46.10
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(F)(F)F	REAL250005070589	0	31	-1.0	-47.99	290.12	-0.85	-48.84
COC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070590	0	35	-1.0	-47.82	305.22	-1.19	-49.01
CC(C)OCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070591	0	38	-1.0	-47.97	327.56	-0.22	-48.19
CCCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070592	0	38	-1.0	-47.89	328.78	-0.14	-48.03
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1	REAL250005070593	0	36	-1.0	-45.25	306.64	-1.99	-47.24
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1C	REAL250005070594	0	35	-1.0	-46.59	308.31	-1.22	-47.81
CCC(OC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070595	0	38	-1.0	-46.26	326.24	-0.33	-46.59
COCCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070596	0	41	-1.0	-46.14	349.38	-0.65	-46.79
CCCC(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070597	0	43	-1.0	-44.62	350.66	1.51	-43.11
COC(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070598	0	38	-1.0	-47.08	325.52	-0.69	-47.77
C=CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070599	0	35	-1.0	-45.15	307.02	0.05	-45.10
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCCC1	REAL250005070600	0	37	-1.0	-45.71	314.29	-0.65	-46.36
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCOC1	REAL250005070601	0	39	-1.0	-45.43	324.93	-1.11	-46.54
CCOCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070602	0	38	-1.0	-45.46	328.24	-1.23	-46.69
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=N1	REAL250005070603	0	31	-1.0	-46.97	295.34	-1.96	-48.93
COCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070604	0	38	-1.0	-44.89	325.09	-1.48	-46.37
C=CCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070605	0	36	-1.0	-48.44	320.19	-0.37	-48.81
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC=N1	REAL250005070606	0	31	-1.0	-47.50	287.11	-4.36	-51.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC(=O)N1	REAL250005070607	0	36	-1.0	-51.39	315.06	-3.38	-54.77
CC1=NC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005070608	0	35	-1.0	-48.15	312.02	-1.58	-49.73
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+]1C	REAL250005070609	0	41	0.0	-59.87	328.29	0.01	-59.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C	REAL250005070609	1	41	0.0	-59.58	333.98	0.42	-59.16
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCN1C	REAL250005070609	1	40	-1.0	-46.04	333.52	-1.81	-47.85
CCC(=O)NCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070610	0	38	-1.0	-48.32	331.68	-2.77	-51.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(C)(C)C	REAL250005070611	0	41	-1.0	-44.98	344.20	1.15	-43.83
CC(C#N)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070612	0	32	-1.0	-51.04	291.68	-0.98	-52.02
CCCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070613	0	40	-1.0	-44.84	331.88	0.80	-44.04
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C(C)(C)C	REAL250005070614	0	39	-1.0	-44.10	330.03	-0.18	-44.28
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CC1	REAL250005070615	0	38	-1.0	-45.04	325.83	1.06	-43.98
CCCCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070616	0	41	-1.0	-47.86	350.28	0.64	-47.22
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NOC=C1	REAL250005070617	0	34	-1.0	-52.92	306.96	-0.93	-53.85
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCOC1	REAL250005070618	0	39	-1.0	-46.58	327.08	-1.22	-47.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CC1	REAL250005070619	0	36	-1.0	-44.93	308.25	0.50	-44.43
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NNC=C1	REAL250005070620	0	35	-1.0	-52.38	311.80	-1.84	-54.22
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCC1	REAL250005070621	0	38	-1.0	-45.04	320.61	0.79	-44.25
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)OC=N1	REAL250005070622	0	34	-1.0	-47.03	305.08	-3.63	-50.66
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005070623	0	38	-1.0	-44.46	322.19	0.89	-43.57
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCCC21	REAL250005070624	0	39	-1.0	-44.38	318.32	1.56	-42.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1CCC1	REAL250005070625	0	41	-1.0	-44.90	342.44	1.58	-43.32
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C=CN1	REAL250005070626	0	36	-1.0	-47.45	313.55	-0.53	-47.98
CC=C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070627	0	35	-1.0	-45.36	301.02	0.04	-45.32
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)C1	REAL250005070628	0	38	-1.0	-44.81	320.37	0.65	-44.16
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCC1	REAL250005070629	0	36	-1.0	-45.60	311.87	0.73	-44.87
CCC(=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)CC	REAL250005070630	0	41	-1.0	-44.11	342.46	1.53	-42.58
CC(C)=C(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070631	0	35	-1.0	-43.87	306.54	0.10	-43.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCC1	REAL250005070632	0	36	-1.0	-45.20	309.29	0.61	-44.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)C=C1	REAL250005070633	0	36	-1.0	-48.18	318.13	0.63	-47.55
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)C=N1	REAL250005070634	0	35	-1.0	-49.94	313.67	0.26	-49.68
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCCO1	REAL250005070635	0	39	-1.0	-47.64	326.64	0.11	-47.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(C)C	REAL250005070636	0	38	-1.0	-44.44	319.84	0.71	-43.73
CCC(C)OCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070637	0	41	-1.0	-47.81	348.32	0.59	-47.22
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(C)C	REAL250005070638	0	38	-1.0	-44.37	319.83	0.72	-43.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCO1	REAL250005070639	0	36	-1.0	-48.59	308.93	-0.74	-49.33
C#CCCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070640	0	39	-1.0	-46.19	342.98	1.58	-44.61
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC(C)(C)C	REAL250005070641	0	41	-1.0	-47.75	341.59	0.16	-47.59
CCNC(=O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070642	0	38	-1.0	-54.75	330.28	-1.40	-56.15
COC(C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070643	0	41	-1.0	-46.64	347.42	-0.66	-47.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN=C1	REAL250005070644	0	33	-1.0	-46.62	298.03	-0.91	-47.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCOCC1	REAL250005070645	0	37	-1.0	-45.51	315.43	-1.12	-46.63
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=COC=C1	REAL250005070646	0	35	-1.0	-47.83	313.46	-0.34	-48.17
CC1=NC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005070647	0	34	-1.0	-46.93	309.10	-3.62	-50.55
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)NC(N)=O	REAL250005070648	0	37	-1.0	-50.20	323.87	-5.51	-55.71
CC1=CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CO1	REAL250005070649	0	35	-1.0	-48.29	313.39	-0.16	-48.45
CCC(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070650	0	40	-1.0	-44.65	329.16	0.75	-43.90
C#CCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070651	0	36	-1.0	-47.52	321.49	0.79	-46.73
C=CC(C)(O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070652	0	39	-1.0	-45.32	327.82	-1.33	-46.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)O	REAL250005070653	0	38	-1.0	-47.39	320.02	-2.02	-49.41
COC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005070654	0	39	-1.0	-46.03	335.50	0.52	-45.51
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)NC=C1	REAL250005070655	0	36	-1.0	-47.10	313.18	-0.49	-47.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1C	REAL250005070656	0	34	-1.0	-48.15	303.34	-2.62	-50.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC(=O)N1	REAL250005070657	0	34	-1.0	-53.95	305.14	-4.69	-58.64
CCCCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070658	0	43	-1.0	-44.76	353.38	1.59	-43.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(C)C1	REAL250005070659	0	41	-1.0	-44.47	334.13	0.92	-43.55
CC(C)[C@@H](O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070660	0	38	-1.0	-44.86	319.84	-1.85	-46.71
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C)N=N1	REAL250005070661	0	34	-1.0	-50.22	309.16	-2.65	-52.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)C=N1	REAL250005070662	0	34	-1.0	-52.96	308.60	-0.53	-53.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1(F)F	REAL250005070663	0	32	-1.0	-48.63	294.72	-0.31	-48.94
CCC(C)=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070664	0	38	-1.0	-44.43	323.71	0.82	-43.61
CC(C)C#CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070665	0	36	-1.0	-46.34	322.10	0.77	-45.57
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CCC1	REAL250005070666	0	39	-1.0	-44.94	327.41	-1.13	-46.07
CC1=CNN=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070667	0	35	-1.0	-48.54	309.36	-1.81	-50.35
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)=C1CCC1	REAL250005070668	0	39	-1.0	-45.54	329.58	1.50	-44.04
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1CC1	REAL250005070669	0	34	-1.0	-46.78	311.77	0.94	-45.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC(C)(C)C	REAL250005070670	0	39	-1.0	-46.33	342.24	1.31	-45.02
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL250005070671	0	34	-1.0	-49.12	312.19	-0.15	-49.27
COCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070672	0	35	-1.0	-45.49	306.38	-2.20	-47.69
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1	REAL250005070673	0	32	-1.0	-45.12	283.23	-0.50	-45.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1	REAL250005070674	0	35	-1.0	-44.93	299.44	0.01	-44.92
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1	REAL250005070675	0	38	-1.0	-44.77	315.74	0.62	-44.15
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOCC1	REAL250005070676	0	39	-1.0	-45.70	325.01	-1.13	-46.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)N=C1	REAL250005070677	0	34	-1.0	-47.02	308.67	-2.82	-49.84
CCC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005070678	0	43	0.0	-59.74	338.95	0.45	-59.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)CO1	REAL250005070679	0	39	-1.0	-47.41	329.32	-0.08	-47.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1CCC2	REAL250005070680	0	39	-1.0	-45.01	327.85	1.32	-43.69
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC(=O)N1	REAL250005070681	0	36	-1.0	-52.66	315.04	-3.38	-56.04
CCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070682	0	43	0.0	-63.30	347.52	0.87	-62.43
CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070682	1	43	0.0	-63.23	347.52	0.87	-62.36
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)(C)C	REAL250005070683	0	43	-1.0	-44.85	349.44	1.17	-43.68
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=N1	REAL250005070684	0	33	-1.0	-46.18	300.35	-0.87	-47.05
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC=CO1	REAL250005070685	0	35	-1.0	-49.29	313.47	-0.15	-49.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CC=N1	REAL250005070686	0	33	-1.0	-50.66	300.92	-1.47	-52.13
CCC(C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070687	0	43	-1.0	-44.97	351.51	1.44	-43.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN=N1	REAL250005070688	0	33	-1.0	-49.24	300.37	-1.82	-51.06
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCOC1C	REAL250005070689	0	39	-1.0	-46.21	323.35	-1.24	-47.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCOC1	REAL250005070690	0	39	-1.0	-45.80	325.36	-1.46	-47.26
CCC(CC)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070691	0	43	-1.0	-44.53	343.30	1.27	-43.26
CCC(C)C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070692	0	43	-1.0	-44.20	344.46	1.25	-42.95
CCCC(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070693	0	43	-1.0	-44.98	352.81	1.35	-43.63
CCC1(C)CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070694	0	41	-1.0	-44.51	336.90	1.31	-43.20
COCC(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070695	0	41	-1.0	-46.69	343.87	-0.80	-47.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(F)C1	REAL250005070696	0	38	-1.0	-47.05	322.18	0.69	-46.36
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1(C)CC1	REAL250005070697	0	41	-1.0	-44.96	342.16	1.42	-43.54
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)ON=C1	REAL250005070698	0	34	-1.0	-46.09	305.32	-0.85	-46.94
CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070699	0	43	0.0	-64.46	348.39	0.67	-63.79
CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070699	1	43	0.0	-64.53	348.39	0.65	-63.88
CC1=CON=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070700	0	34	-1.0	-47.67	305.63	-1.04	-48.71
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1N=CN=N1	REAL250005070701	0	33	-1.0	-53.14	303.04	-2.11	-55.25
CCCC[C@@H](C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070702	0	43	-1.0	-44.79	353.38	1.59	-43.20
CCC(C)(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070703	0	43	-1.0	-43.87	340.13	1.10	-42.77
CC(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070704	0	43	-1.0	-44.15	337.89	0.92	-43.23
C=CC(C)(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070705	0	41	-1.0	-43.93	334.56	1.01	-42.92
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1N=CC=N1	REAL250005070706	0	34	-1.0	-52.18	308.33	-2.49	-54.67
C=CCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070707	0	38	-1.0	-45.35	328.52	0.84	-44.51
CCC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070708	0	40	-1.0	-44.76	325.37	0.46	-44.30
CCCC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070709	0	43	-1.0	-44.68	346.87	1.23	-43.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C(N)=O)CC1	REAL250005070710	0	36	-1.0	-46.08	320.12	-3.96	-50.04
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(N)=O	REAL250005070711	0	29	-1.0	-46.34	268.06	-5.93	-52.27
CC1=NOC=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070712	0	34	-1.0	-48.04	305.53	-0.91	-48.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC=CC1	REAL250005070713	0	39	-1.0	-44.92	326.67	1.06	-43.86
COC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005070714	0	41	-1.0	-47.47	340.72	0.12	-47.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1C	REAL250005070715	0	38	-1.0	-45.32	325.02	0.94	-44.38
C=CC(C)(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070716	0	41	-1.0	-44.40	333.22	1.49	-42.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[C@H]1CCOC1	REAL250005070717	0	39	-1.0	-47.36	326.90	-1.13	-48.49
CCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070718	0	38	-1.0	-45.07	325.89	0.67	-44.40
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C	REAL250005070719	0	37	-1.0	-44.62	311.15	-0.04	-44.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NNC=N1	REAL250005070720	0	34	-1.0	-53.39	307.33	-1.43	-54.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NN=CN1	REAL250005070720	1	34	-1.0	-58.84	305.95	-0.89	-59.73
C=C(C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070721	0	38	-1.0	-45.06	328.66	0.73	-44.33
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NS1	REAL250005070722	0	31	-1.0	-46.01	295.31	-1.33	-47.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(F)F	REAL250005070723	0	34	-1.0	-49.93	304.61	-0.31	-50.24
CCCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070724	0	41	-1.0	-44.93	346.32	1.48	-43.45
CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070725	0	41	-1.0	-44.94	347.51	1.71	-43.23
CC(C)C1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070726	0	41	-1.0	-44.82	338.76	1.17	-43.65
C=C1CC(C)(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005070727	0	39	-1.0	-44.54	330.70	1.05	-43.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CC1	REAL250005070728	0	35	-1.0	-47.41	312.06	0.12	-47.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2(CC2)C1	REAL250005070729	0	39	-1.0	-44.71	331.80	1.40	-43.31
CCCCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070730	0	43	-1.0	-45.01	358.70	1.84	-43.17
CC(C)C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070731	0	40	-1.0	-44.18	326.28	0.62	-43.56
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(C)C1	REAL250005070732	0	41	-1.0	-44.66	337.33	1.23	-43.43
C#CCOCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070733	0	37	-1.0	-47.03	334.02	-0.69	-47.72
C#CCOC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070734	0	37	-1.0	-50.32	332.86	0.30	-50.02
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C(N)=O	REAL250005070735	0	38	-1.0	-54.28	322.73	-2.46	-56.74
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C2CC2)CC1	REAL250005070736	0	39	-1.0	-44.55	324.89	1.72	-42.83
COC1CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005070737	0	39	-1.0	-45.79	332.79	-0.99	-46.78
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@H]1C(N)=O	REAL250005070738	0	36	-1.0	-53.74	318.98	-3.81	-57.55
CC[C@@H](C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005070739	0	43	0.0	-59.54	338.71	0.45	-59.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CF)CCC1	REAL250005070740	0	38	-1.0	-44.38	319.99	0.59	-43.79
CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070741	0	38	-1.0	-45.02	326.01	0.93	-44.09
CC(C)CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070742	0	43	-1.0	-45.01	354.77	1.56	-43.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005070743	0	34	-1.0	-55.24	307.73	0.58	-54.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCNC(N)=O	REAL250005070744	0	37	-1.0	-54.59	326.44	-5.75	-60.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSC=C1	REAL250005070745	0	31	-1.0	-46.26	294.58	-1.48	-47.74
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005070746	0	41	-1.0	-44.75	338.85	1.36	-43.39
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC(C)C1	REAL250005070747	0	39	-1.0	-46.29	327.41	-1.13	-47.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CC2	REAL250005070748	0	36	-1.0	-45.26	315.67	0.97	-44.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CNC=N1	REAL250005070749	0	35	-1.0	-53.81	311.24	-0.61	-54.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CN=CN1	REAL250005070749	1	35	-1.0	-52.43	312.10	-0.81	-53.24
C=CCC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070750	0	41	-1.0	-44.80	340.30	1.06	-43.74
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC12CCC2	REAL250005070751	0	39	-1.0	-44.75	330.54	1.44	-43.31
CC1=CNC=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070752	0	36	-1.0	-49.37	314.07	-0.42	-49.79
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)C=C1	REAL250005070753	0	35	-1.0	-49.49	313.72	-1.16	-50.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCCC1	REAL250005070754	0	38	-1.0	-45.47	321.91	0.60	-44.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1C	REAL250005070755	0	35	-1.0	-48.86	308.15	0.19	-48.67
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(=O)N(C)C	REAL250005070756	0	38	-1.0	-55.13	326.57	-0.31	-55.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C1CC1	REAL250005070757	0	39	-1.0	-45.25	336.80	1.74	-43.51
COCCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070758	0	41	-1.0	-46.86	344.06	-0.90	-47.76
CCC(C)(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070759	0	43	-1.0	-44.60	341.31	0.94	-43.66
COCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070760	0	39	-1.0	-46.68	337.83	-0.92	-47.60
COCC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070761	0	41	-1.0	-44.82	342.75	-0.84	-45.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCO1	REAL250005070762	0	36	-1.0	-47.64	309.10	-0.70	-48.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(F)F	REAL250005070763	0	34	-1.0	-48.07	306.87	-0.23	-48.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=CN1	REAL250005070764	0	33	-1.0	-47.98	301.66	-1.11	-49.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C)CC1	REAL250005070765	0	38	-1.0	-44.71	323.64	0.76	-43.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CCF)CC1	REAL250005070766	0	38	-1.0	-45.35	326.28	0.95	-44.40
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1COC2	REAL250005070767	0	37	-1.0	-47.89	319.13	-1.28	-49.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1	REAL250005070768	0	35	-1.0	-44.88	300.98	0.11	-44.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC=C1	REAL250005070769	0	33	-1.0	-47.82	295.60	-1.10	-48.92
CC(CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005070770	0	41	-1.0	-44.48	340.60	1.55	-42.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSN=N1	REAL250005070771	0	30	-1.0	-47.39	290.08	-2.60	-49.99
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCCC1	REAL250005070772	0	41	-1.0	-44.70	333.36	1.25	-43.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CO1	REAL250005070773	0	31	-1.0	-47.09	287.11	-4.26	-51.35
CNC(=O)NCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070774	0	37	-1.0	-49.75	326.24	-4.93	-54.68
C=CCCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070775	0	39	-1.0	-47.97	341.60	0.42	-47.55
C=CCOC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070776	0	39	-1.0	-48.09	339.97	0.33	-47.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC(N)=O	REAL250005070777	0	38	-1.0	-54.74	331.89	-3.66	-58.40
CC1=NNC=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070778	0	35	-1.0	-48.80	308.30	-1.93	-50.73
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)NN=N1	REAL250005070779	0	34	-1.0	-47.25	302.98	-3.25	-50.50
CC1=NNN=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070779	1	34	-1.0	-45.66	304.22	-3.33	-48.99
CCCC(OC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070780	0	41	-1.0	-46.86	347.91	0.42	-46.44
C=C(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070781	0	41	-1.0	-44.61	335.98	0.92	-43.69
CC(CC(N)=O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070782	0	38	-1.0	-47.80	325.72	-3.82	-51.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCNC1=O	REAL250005070783	0	36	-1.0	-47.40	313.35	-3.69	-51.09
C=CC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070784	0	38	-1.0	-45.16	319.90	0.36	-44.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL250005070785	0	41	0.0	-60.97	333.33	0.52	-60.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@H+]1C	REAL250005070785	1	41	0.0	-63.85	328.25	0.01	-63.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCN1C	REAL250005070785	1	40	-1.0	-46.04	333.56	-1.82	-47.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005070786	0	35	-1.0	-45.10	304.61	0.17	-44.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCC1	REAL250005070787	0	38	-1.0	-44.70	316.63	0.53	-44.17
CCC(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070788	0	34	-1.0	-46.84	300.48	-0.46	-47.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCF	REAL250005070789	0	34	-1.0	-47.30	300.80	-0.37	-47.67
CC1=COC=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070790	0	35	-1.0	-48.04	310.35	-0.30	-48.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H]1C	REAL250005070791	0	35	-1.0	-44.94	304.60	0.17	-44.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)C=CCC1	REAL250005070792	0	39	-1.0	-44.61	327.15	1.05	-43.56
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)N=N1	REAL250005070793	0	33	-1.0	-49.92	303.56	-3.24	-53.16
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)NC=N1	REAL250005070794	0	35	-1.0	-48.57	308.02	-0.80	-49.37
CC(C)C(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070795	0	37	-1.0	-44.30	314.99	0.13	-44.17
C=CC(C)C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070796	0	41	-1.0	-44.33	339.71	1.15	-43.18
CCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005070797	0	41	-1.0	-45.03	336.74	1.00	-44.03
CC#CCCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070798	0	39	-1.0	-48.37	343.31	1.75	-46.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21	REAL250005070799	0	37	-1.0	-45.81	318.76	-1.13	-46.94
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC1CC1	REAL250005070800	0	41	-1.0	-45.22	347.32	1.84	-43.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1(C)C	REAL250005070801	0	41	-1.0	-44.25	335.01	1.08	-43.17
CC1=COC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005070802	0	35	-1.0	-46.27	314.22	-0.25	-46.52
C=CC(CC)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070803	0	41	-1.0	-44.76	344.25	1.32	-43.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C1CC1	REAL250005070804	0	41	-1.0	-44.85	334.30	1.20	-43.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1	REAL250005070805	0	39	-1.0	-44.97	326.97	1.34	-43.63
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CON=C1	REAL250005070806	0	34	-1.0	-50.13	307.70	-0.89	-51.02
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL250005070807	0	43	-1.0	-43.63	338.18	0.99	-42.64
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNN=C1	REAL250005070808	0	31	-1.0	-45.78	285.62	-3.92	-49.70
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=NN1	REAL250005070808	1	31	-1.0	-47.48	284.72	-3.86	-51.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC(N)=O	REAL250005070809	0	33	-1.0	-49.32	302.67	-4.63	-53.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(N)=NN1	REAL250005070810	0	33	-1.0	-46.31	301.86	-2.32	-48.63
COC(=O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070811	0	34	-1.0	-52.07	304.65	-0.32	-52.39
C#CCSCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070812	0	34	-1.0	-49.18	323.01	0.57	-48.61
CSC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070813	0	33	-1.0	-45.48	308.33	-0.34	-45.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CCC1	REAL250005070814	0	39	-1.0	-46.50	325.32	-2.14	-48.64
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(N)=O	REAL250005070815	0	35	-1.0	-48.82	310.39	-4.44	-53.26
C=CCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070816	0	39	-1.0	-45.09	339.39	1.27	-43.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC(F)F	REAL250005070817	0	32	-1.0	-48.08	297.03	-1.55	-49.63
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCS1	REAL250005070818	0	34	-1.0	-46.77	309.81	0.27	-46.50
CC1=NOC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005070819	0	36	-1.0	-53.96	318.08	-0.63	-54.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)NC1CC1	REAL250005070820	0	36	-1.0	-46.07	321.58	-2.72	-48.79
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(N)=NN1	REAL250005070821	0	34	-1.0	-47.63	306.04	-3.76	-51.39
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCSC1	REAL250005070822	0	36	-1.0	-45.02	315.25	0.36	-44.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCO1	REAL250005070823	0	33	-1.0	-49.21	291.18	-1.65	-50.86
CCCC(O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070824	0	41	-1.0	-47.49	346.38	-1.36	-48.85
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CC#N	REAL250005070825	0	38	-1.0	-46.36	328.18	0.15	-46.21
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(Cl)CC1	REAL250005070826	0	32	-1.0	-44.78	298.99	0.03	-44.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCO1	REAL250005070827	0	34	-1.0	-45.74	300.80	-1.38	-47.12
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)COC1	REAL250005070828	0	37	-1.0	-46.40	316.29	-4.88	-51.28
CC(C)=CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070829	0	41	-1.0	-45.02	345.18	1.43	-43.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC1	REAL250005070830	0	33	-1.0	-45.72	290.06	-2.77	-48.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(C)O1	REAL250005070831	0	39	-1.0	-47.89	329.99	0.02	-47.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNC=C1N	REAL250005070832	0	34	-1.0	-47.84	303.30	-4.46	-52.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(N)C=NN1	REAL250005070832	1	34	-1.0	-46.58	302.16	-4.42	-51.00
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCO	REAL250005070833	0	33	-1.0	-48.59	297.38	-4.01	-52.60
CC1=NNC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005070834	0	34	-1.0	-45.86	307.72	-1.95	-47.81
CC1=NN=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005070834	1	34	-1.0	-49.82	307.92	-1.70	-51.52
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC(=O)N1	REAL250005070835	0	32	-1.0	-51.09	295.85	-3.88	-54.97
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC(=O)[N-]1	REAL250005070835	1	31	-2.0	-92.21	293.72	-5.55	-97.76
CC=CC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070836	0	36	-1.0	-44.94	315.77	-1.84	-46.78
CCCC[C@H](C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070837	0	43	-1.0	-44.55	353.38	1.59	-42.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005070838	0	40	0.0	-60.51	326.47	-0.15	-60.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005070838	1	39	-1.0	-45.52	318.68	-2.49	-48.01
CCC=C(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070839	0	35	-1.0	-44.14	311.55	0.16	-43.98
CCC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070840	0	35	-1.0	-45.28	307.37	0.12	-45.16
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CNC(=O)C1	REAL250005070841	0	36	-1.0	-48.83	313.25	-3.70	-52.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NON=C1N	REAL250005070842	0	32	-1.0	-44.59	295.15	-3.24	-47.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CNC(=O)N1	REAL250005070843	0	35	-1.0	-54.09	308.91	-5.82	-59.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CS1	REAL250005070844	0	31	-1.0	-46.20	295.26	-1.81	-48.01
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCN=[N+]=[N-]	REAL250005070845	0	33	-1.0	-45.13	302.85	-4.66	-49.79
C#CCOCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070846	0	34	-1.0	-50.71	313.07	-0.41	-51.12
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NN=CO1	REAL250005070847	0	33	-1.0	-52.99	302.84	-6.11	-59.10
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCS1	REAL250005070848	0	36	-1.0	-48.10	317.29	0.35	-47.75
COC(C)(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070849	0	41	-1.0	-47.18	335.25	-0.02	-47.20
CC(O)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070850	0	38	-1.0	-45.51	326.01	-3.01	-48.52
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=CC=C1	REAL250005070851	0	36	-1.0	-48.83	318.88	1.07	-47.76
C#CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070852	0	33	-1.0	-45.65	299.99	0.01	-45.64
CC(=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005070853	0	41	-1.0	-44.21	340.26	1.29	-42.92
COC1(CC(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070854	0	39	-1.0	-47.56	333.96	-0.99	-48.55
CC[C@H](C)[C@H](O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070855	0	41	-1.0	-45.80	338.45	-1.25	-47.05
CC=CC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070856	0	36	-1.0	-45.49	321.45	0.77	-44.72
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=NN1C	REAL250005070857	0	34	-1.0	-46.35	304.18	-0.52	-46.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC[C@@H](O)C1	REAL250005070858	0	39	-1.0	-47.17	326.93	-2.76	-49.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC=CCC1	REAL250005070859	0	39	-1.0	-44.72	326.25	1.19	-43.53
COCC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070860	0	36	-1.0	-47.39	319.64	-1.60	-48.99
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CC2C1	REAL250005070861	0	39	-1.0	-45.00	326.03	1.32	-43.68
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CC(C)C1	REAL250005070862	0	40	-1.0	-46.47	336.20	-2.34	-48.81
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CC(C)C1	REAL250005070862	1	41	0.0	-63.08	338.38	0.61	-62.47
CCC(C)(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070863	0	38	-1.0	-44.57	319.81	-3.18	-47.75
C#CCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070864	0	36	-1.0	-45.07	317.86	0.58	-44.49
C=CC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070865	0	33	-1.0	-46.02	296.71	-2.88	-48.90
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCN=[N+]=[N-]	REAL250005070866	0	36	-1.0	-47.08	324.33	-3.85	-50.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1OCC1(C)C	REAL250005070867	0	39	-1.0	-47.28	326.81	-0.36	-47.64
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC1CC2	REAL250005070868	0	36	-1.0	-45.33	311.66	0.71	-44.62
CCCC(C)=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070869	0	41	-1.0	-44.34	345.21	1.60	-42.74
C=C[C@H](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070870	0	38	-1.0	-44.79	323.72	0.62	-44.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CC1	REAL250005070871	0	36	-1.0	-45.23	318.25	0.93	-44.30
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C=NO1	REAL250005070872	0	34	-1.0	-46.30	305.05	-0.72	-47.02
CC(C)CC(=O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070873	0	39	-1.0	-44.35	334.00	0.06	-44.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C#N)CC1C	REAL250005070874	0	36	-1.0	-48.72	322.49	0.34	-48.38
CCC(C#N)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070875	0	35	-1.0	-45.68	312.31	-0.33	-46.01
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CNC(=O)O1	REAL250005070876	0	34	-1.0	-56.96	305.15	-4.22	-61.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C2CCC21	REAL250005070877	0	36	-1.0	-44.95	305.92	0.84	-44.11
C=C1CCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070878	0	36	-1.0	-45.05	312.95	0.51	-44.54
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1[C@H](C)[C@@H]1C	REAL250005070879	0	38	-1.0	-44.14	313.39	0.68	-43.46
CC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070880	0	40	0.0	-62.94	326.03	0.13	-62.81
CC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070880	1	40	0.0	-62.85	326.03	0.12	-62.73
CCN(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070880	1	39	-1.0	-45.40	324.18	-2.14	-47.54
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2(C1)N=N2	REAL250005070881	0	35	-1.0	-45.42	312.31	-5.00	-50.42
CC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070882	0	32	-1.0	-48.87	283.85	-3.42	-52.29
CC(=O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070883	0	30	-1.0	-44.93	274.97	-2.13	-47.06
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNN=C1N	REAL250005070884	0	34	-1.0	-49.23	302.12	-3.47	-52.70
CC(NC(N)=O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070885	0	37	-1.0	-48.43	323.86	-5.51	-53.94
CCOC(=O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070886	0	37	-1.0	-51.82	326.52	0.60	-51.22
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)N[N-]1	REAL250005070887	0	32	-2.0	-90.02	298.55	-4.57	-94.59
CC1=CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CN1	REAL250005070888	0	36	-1.0	-49.72	317.25	-0.53	-50.25
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005070889	0	39	-1.0	-44.82	326.27	1.30	-43.52
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC#N	REAL250005070890	0	35	-1.0	-52.19	315.06	0.01	-52.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C#N)CC1	REAL250005070891	0	33	-1.0	-48.98	302.50	-0.25	-49.23
C=C1CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005070892	0	36	-1.0	-44.86	312.99	0.52	-44.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](O)C2	REAL250005070893	0	37	-1.0	-48.54	323.08	-2.69	-51.23
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)CO2	REAL250005070894	0	37	-1.0	-44.73	316.31	-1.29	-46.02
CCC=CC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070895	0	39	-1.0	-45.42	342.54	1.53	-43.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C(N)=O	REAL250005070896	0	37	-1.0	-55.65	323.04	-3.77	-59.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(=O)N[N-]1	REAL250005070897	0	31	-2.0	-91.72	293.14	-5.87	-97.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CC1	REAL250005070898	0	32	-1.0	-45.23	289.61	-0.44	-45.67
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(O)C1CC1	REAL250005070899	0	39	-1.0	-44.65	328.48	-2.54	-47.19
CC1=NC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL250005070900	0	34	-1.0	-46.54	309.10	-3.50	-50.04
COC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070901	0	38	-1.0	-47.81	317.16	-0.71	-48.52
CC(CC#N)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070902	0	35	-1.0	-46.97	311.43	-0.23	-47.20
CCC1CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070903	0	38	-1.0	-44.49	320.54	0.95	-43.54
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)C(C)(C)O	REAL250005070904	0	41	-1.0	-46.76	332.52	-1.47	-48.23
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC(=O)O1	REAL250005070905	0	33	-1.0	-55.28	301.31	-0.86	-56.14
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)OC2	REAL250005070906	0	37	-1.0	-46.55	317.08	-1.50	-48.05
CC(O)C1CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070907	0	39	-1.0	-46.35	336.98	-2.39	-48.74
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](C)C2	REAL250005070908	0	39	-1.0	-45.14	332.64	1.35	-43.79
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005070909	0	34	-1.0	-55.24	307.73	0.58	-54.66
CC(C[NH+](C)C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070910	0	43	0.0	-64.86	346.70	0.72	-64.14
C=CC(C)(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070911	0	36	-1.0	-45.01	313.37	-3.11	-48.12
CCC(C)(CO)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070912	0	41	-1.0	-47.50	335.28	-2.80	-50.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CC1	REAL250005070913	0	41	0.0	-64.43	331.36	0.66	-63.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(N(C)C)CC1	REAL250005070913	1	40	-1.0	-44.19	334.76	-1.63	-45.82
CCCC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070914	0	38	-1.0	-45.14	328.87	0.90	-44.24
CC=C(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070915	0	32	-1.0	-44.23	291.25	-0.58	-44.81
CCC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL250005070916	0	43	-1.0	-44.83	349.32	1.18	-43.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005070917	0	40	0.0	-62.72	326.43	-0.13	-62.85
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)N(C)C	REAL250005070917	1	39	-1.0	-44.96	317.90	-2.58	-47.54
CC(C)C(CO)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070918	0	41	-1.0	-45.44	334.63	-2.26	-47.70
CCOC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070919	0	36	-1.0	-45.90	319.35	-1.01	-46.91
CCN1CCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070920	0	40	-1.0	-46.96	336.15	-2.59	-49.55
CC[N@@H+]1CCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070920	1	41	0.0	-62.06	339.93	0.42	-61.64
CC[N@H+]1CCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070920	1	41	0.0	-61.72	339.96	0.47	-61.25
CCC(C)=C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070921	0	41	-1.0	-44.42	336.50	1.41	-43.01
COC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005070922	0	39	-1.0	-44.17	327.62	-1.12	-45.29
C=CCCC(=O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070923	0	37	-1.0	-44.40	330.07	0.03	-44.37
CC(O)CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070924	0	41	-1.0	-48.19	347.55	-2.24	-50.43
CC(=O)OCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070925	0	34	-1.0	-49.24	308.76	-0.33	-49.57
CC(=O)NCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070926	0	38	-1.0	-54.00	333.52	-2.96	-56.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC(=O)N1	REAL250005070927	0	33	-1.0	-50.78	299.98	-4.22	-55.00
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)[NH+](C)C	REAL250005070928	0	43	0.0	-64.68	335.76	0.62	-64.06
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)(F)CO	REAL250005070929	0	32	-1.0	-45.92	294.08	-3.06	-48.98
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C#CC1(C)CC1	REAL250005070930	0	37	-1.0	-46.80	332.72	1.45	-45.35
CC(=O)C=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070931	0	34	-1.0	-47.40	309.53	-0.78	-48.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC1	REAL250005070932	0	36	-1.0	-48.67	317.66	-0.16	-48.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1	REAL250005070933	0	32	-1.0	-48.09	291.16	-2.23	-50.32
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1CCC1	REAL250005070934	0	39	-1.0	-45.08	334.69	1.46	-43.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN=CS1	REAL250005070935	0	30	-1.0	-48.06	291.28	-2.91	-50.97
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)CO1	REAL250005070936	0	35	-1.0	-49.33	311.82	-1.65	-50.98
CC(C)NC(=O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070937	0	38	-1.0	-46.12	332.10	-2.77	-48.89
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005070938	0	37	-1.0	-45.10	316.31	-0.60	-45.70
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CN1C	REAL250005070939	0	35	-1.0	-48.33	309.42	-0.49	-48.82
CC(CO)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070940	0	35	-1.0	-45.41	302.84	-3.89	-49.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CON=C1	REAL250005070941	0	31	-1.0	-46.84	286.43	-1.55	-48.39
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCO	REAL250005070942	0	38	-1.0	-46.78	327.13	-3.07	-49.85
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C1CC1	REAL250005070943	0	34	-1.0	-44.80	306.04	-0.53	-45.33
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1COC(=O)N1	REAL250005070944	0	34	-1.0	-53.88	305.14	-4.70	-58.58
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC1	REAL250005070945	0	36	-1.0	-48.49	314.66	-3.25	-51.74
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1F	REAL250005070946	0	35	-1.0	-47.12	305.23	0.05	-47.07
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)C1CCC1	REAL250005070947	0	38	-1.0	-46.57	324.76	0.77	-45.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(C)O1	REAL250005070948	0	39	-1.0	-45.89	324.34	-0.56	-46.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1CF	REAL250005070949	0	35	-1.0	-46.87	311.20	0.30	-46.57
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)=C1CCC1	REAL250005070950	0	36	-1.0	-44.91	317.49	0.82	-44.09
CCC(CO)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070951	0	38	-1.0	-45.87	318.74	-2.85	-48.72
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(O)C1CC1	REAL250005070952	0	39	-1.0	-47.51	332.10	-1.15	-48.66
CC(=CC1CC1)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070953	0	39	-1.0	-45.22	331.94	1.57	-43.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@@H]1C#N	REAL250005070954	0	33	-1.0	-53.69	300.22	-0.19	-53.88
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CN=CO1	REAL250005070955	0	34	-1.0	-50.92	308.14	-3.44	-54.36
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COCC1	REAL250005070956	0	34	-1.0	-45.64	299.41	-1.41	-47.05
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(C)(C)O	REAL250005070957	0	41	-1.0	-45.40	342.60	-2.48	-47.88
CC1=CC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL250005070958	0	36	-1.0	-46.90	317.12	-0.60	-47.50
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CC1	REAL250005070959	0	33	-1.0	-45.92	291.55	-3.57	-49.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCC1	REAL250005070960	0	33	-1.0	-45.78	293.18	0.02	-45.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOC(C)C1	REAL250005070961	0	36	-1.0	-46.28	317.84	-1.64	-47.92
CC(CF)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070962	0	34	-1.0	-44.38	298.05	-0.48	-44.86
CC(Cl)=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070963	0	32	-1.0	-46.22	298.60	-0.14	-46.36
CC=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070964	0	32	-1.0	-45.40	286.28	-0.64	-46.04
CCC(F)(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070965	0	34	-1.0	-43.39	304.46	-0.36	-43.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC1F	REAL250005070966	0	35	-1.0	-48.17	305.67	0.22	-47.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC(=O)O1	REAL250005070967	0	35	-1.0	-53.72	311.03	-0.03	-53.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CCF	REAL250005070968	0	32	-1.0	-47.48	292.46	-0.53	-48.01
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)CC1CC1	REAL250005070969	0	38	-1.0	-44.99	332.39	1.10	-43.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1COC(=O)N1	REAL250005070970	0	34	-1.0	-54.19	305.10	-4.67	-58.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCC#N	REAL250005070971	0	38	-1.0	-49.54	336.56	0.79	-48.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CO)CC1	REAL250005070972	0	36	-1.0	-48.61	316.84	-3.37	-51.98
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NO1	REAL250005070973	0	31	-1.0	-46.27	286.81	-1.55	-47.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(=O)N1	REAL250005070975	0	36	-1.0	-51.51	315.01	-3.37	-54.88
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)O	REAL250005070976	0	32	-1.0	-46.57	283.51	-3.40	-49.97
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(F)O1	REAL250005070977	0	32	-1.0	-44.82	298.75	-0.83	-45.65
CON=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070978	0	32	-1.0	-48.29	295.17	-2.68	-50.97
C#CCC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070979	0	39	-1.0	-44.91	334.60	1.04	-43.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(F)C1	REAL250005070980	0	38	-1.0	-45.29	326.87	0.70	-44.59
CCC(C)(OC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070981	0	41	-1.0	-43.90	335.03	-0.83	-44.73
CC(C)[C@H](O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070982	0	38	-1.0	-45.94	320.27	-1.87	-47.81
C#CC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005070983	0	34	-1.0	-44.56	308.92	0.58	-43.98
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC(=O)O1	REAL250005070984	0	35	-1.0	-53.40	311.21	0.05	-53.35
C=CC=CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070985	0	36	-1.0	-46.04	320.87	0.70	-45.34
C#CC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005070986	0	37	-1.0	-44.38	324.84	1.01	-43.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL250005070987	0	41	0.0	-59.89	328.30	0.01	-59.88
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL250005070987	1	41	0.0	-60.16	334.10	0.49	-59.67
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCCN1C	REAL250005070987	1	40	-1.0	-46.21	333.54	-1.96	-48.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC=CCO1	REAL250005070988	0	37	-1.0	-47.96	318.79	-0.04	-48.00
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(C)(C)C1	REAL250005070989	0	39	-1.0	-45.32	335.51	1.23	-44.09
C#C[C@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070990	0	34	-1.0	-47.54	306.09	0.67	-46.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(N=[N+]=[N-])CC1	REAL250005070991	0	34	-1.0	-44.96	306.44	-3.41	-48.37
CCC(CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)OC	REAL250005070992	0	41	-1.0	-45.24	341.30	-0.02	-45.26
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSC=N1	REAL250005070993	0	31	-1.0	-46.97	295.34	-1.96	-48.93
CC=C(CC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070994	0	38	-1.0	-44.96	322.06	0.75	-44.21
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC12CC(C1)C2	REAL250005070995	0	39	-1.0	-45.47	326.48	1.43	-44.04
CCC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C(C)O	REAL250005070996	0	41	-1.0	-47.13	338.76	-2.14	-49.27
COC(F)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070997	0	32	-1.0	-47.94	291.33	-2.42	-50.36
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C#N)CCC1	REAL250005070998	0	36	-1.0	-49.23	318.42	0.16	-49.07
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CCCC1	REAL250005070999	0	39	-1.0	-45.14	328.13	1.34	-43.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C)(C)C#N	REAL250005071000	0	38	-1.0	-45.90	325.19	0.23	-45.67
COCC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071001	0	36	-1.0	-45.50	316.85	-4.09	-49.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC1(F)F	REAL250005071002	0	32	-1.0	-48.62	294.71	-0.31	-48.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C#N	REAL250005071003	0	33	-1.0	-48.85	304.23	-0.08	-48.93
C=C(C)CCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071004	0	41	-1.0	-45.38	349.87	1.49	-43.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@@H](O)C1	REAL250005071005	0	36	-1.0	-47.92	310.88	-3.41	-51.33
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC1(C)C	REAL250005071006	0	41	-1.0	-45.29	343.67	1.41	-43.88
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(Cl)CC1	REAL250005071007	0	33	-1.0	-47.11	310.77	0.58	-46.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@]12C[C@H]1[C@H](F)C2	REAL250005071008	0	36	-1.0	-48.24	318.29	0.80	-47.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC(=O)O1	REAL250005071009	0	32	-1.0	-50.81	297.01	-3.69	-54.50
CC(C)[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071010	0	41	-1.0	-45.02	345.07	1.49	-43.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COCCO	REAL250005071011	0	36	-1.0	-50.88	318.66	-4.08	-54.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CF	REAL250005071012	0	37	-1.0	-44.06	316.14	0.05	-44.01
CC(C)[C@@H](O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071013	0	41	-1.0	-47.33	341.56	-1.63	-48.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)CO	REAL250005071014	0	38	-1.0	-45.31	320.49	-3.24	-48.55
C=CCC(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071015	0	38	-1.0	-44.78	324.88	0.64	-44.14
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1C	REAL250005071016	0	41	-1.0	-44.74	335.98	1.23	-43.51
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21	REAL250005071017	0	39	-1.0	-45.06	325.90	1.26	-43.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(F)C1	REAL250005071018	0	38	-1.0	-46.00	323.10	0.62	-45.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1C[C@H]1C	REAL250005071019	0	35	-1.0	-45.10	304.61	0.17	-44.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)O	REAL250005071020	0	35	-1.0	-44.72	303.19	-3.85	-48.57
CSC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071021	0	36	-1.0	-43.91	327.83	0.48	-43.43
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NOCC1	REAL250005071022	0	33	-1.0	-46.47	296.75	-2.40	-48.87
CC(C#N)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071023	0	35	-1.0	-47.03	310.25	-0.23	-47.26
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)C1CC1	REAL250005071024	0	41	0.0	-60.77	337.70	0.86	-59.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)C1CC1	REAL250005071024	1	41	0.0	-61.21	337.70	0.86	-60.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C1CC1	REAL250005071024	1	40	-1.0	-45.70	331.58	-1.54	-47.24
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCOC1CC1	REAL250005071025	0	39	-1.0	-45.70	338.60	-0.46	-46.16
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCCO	REAL250005071026	0	41	-1.0	-47.88	348.63	-2.29	-50.17
CC(CCO)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071027	0	38	-1.0	-48.03	321.80	-3.31	-51.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(F)=CC1CC1	REAL250005071028	0	36	-1.0	-44.21	322.80	0.98	-43.23
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC(F)C1	REAL250005071029	0	38	-1.0	-46.25	327.26	0.88	-45.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](O)CF	REAL250005071030	0	32	-1.0	-46.48	289.81	-3.23	-49.71
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CCO)CC1	REAL250005071031	0	39	-1.0	-46.20	331.11	-2.53	-48.73
CC(C)C(C)(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071032	0	41	-1.0	-44.38	334.75	-2.41	-46.79
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCC1	REAL250005071033	0	36	-1.0	-46.31	307.54	-3.04	-49.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CC1	REAL250005071034	0	36	-1.0	-44.97	315.49	-1.86	-46.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NN=C1	REAL250005071035	0	34	-1.0	-55.43	308.21	1.50	-53.93
C=C(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071036	0	35	-1.0	-45.18	307.23	-0.08	-45.26
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C#N	REAL250005071037	0	35	-1.0	-50.10	310.54	-0.47	-50.57
CCSCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071038	0	35	-1.0	-47.14	317.24	0.05	-47.09
CC(=O)OCCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071039	0	37	-1.0	-50.49	329.74	-0.30	-50.79
CC(C)=C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071040	0	38	-1.0	-44.56	315.87	0.72	-43.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1(C)N=N1	REAL250005071041	0	37	-1.0	-44.95	326.40	-4.64	-49.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)[N-]O1	REAL250005071042	0	31	-2.0	-94.72	293.29	-4.08	-98.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1COC1	REAL250005071043	0	37	-1.0	-48.93	325.09	-2.37	-51.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@]12C[C@@H]1[C@H](C)C2	REAL250005071044	0	39	-1.0	-44.98	331.35	1.31	-43.67
CNC(=O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071045	0	35	-1.0	-55.25	308.80	-2.24	-57.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN=CN1C	REAL250005071046	0	34	-1.0	-50.78	304.57	0.14	-50.64
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCO[C@H]1C	REAL250005071047	0	39	-1.0	-47.03	324.98	-1.26	-48.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(F)C1	REAL250005071048	0	35	-1.0	-46.55	306.05	0.10	-46.45
CCC(O)C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071049	0	41	-1.0	-46.72	337.68	-1.15	-47.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC(=O)N1	REAL250005071050	0	36	-1.0	-52.37	318.07	-3.95	-56.32
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C1CCC1	REAL250005071051	0	39	-1.0	-45.13	329.17	-1.27	-46.40
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C[NH+](C)C1	REAL250005071052	0	41	0.0	-63.64	339.74	0.27	-63.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(O)C1	REAL250005071053	0	39	-1.0	-44.85	331.50	-2.77	-47.62
C=CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071054	0	32	-1.0	-45.55	285.62	-0.73	-46.28
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005071055	0	37	0.0	-63.83	308.30	-0.55	-64.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN(C)C	REAL250005071055	1	36	-1.0	-45.56	306.21	-2.93	-48.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC#N	REAL250005071056	0	29	-1.0	-53.06	272.17	-1.59	-54.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC1F	REAL250005071057	0	32	-1.0	-45.57	290.02	-0.41	-45.98
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005071058	0	40	0.0	-60.51	326.47	-0.15	-60.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)N(C)C	REAL250005071058	1	39	-1.0	-45.52	318.68	-2.49	-48.01
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCF	REAL250005071059	0	31	-1.0	-44.95	279.30	-1.13	-46.08
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=NN1	REAL250005071060	0	32	-1.0	-46.44	297.03	-2.67	-49.11
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C=CCC1	REAL250005071061	0	36	-1.0	-44.92	308.35	0.51	-44.41
CCC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005071062	0	39	-1.0	-44.63	325.61	-1.27	-45.90
C#CC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071063	0	36	-1.0	-47.18	316.96	0.41	-46.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CNC(=O)N1	REAL250005071064	0	35	-1.0	-52.92	308.91	-5.83	-58.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1C	REAL250005071065	0	40	-1.0	-46.27	336.53	-2.35	-48.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CCC1C	REAL250005071065	1	41	0.0	-61.33	339.63	0.53	-60.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CCC1C	REAL250005071065	1	41	0.0	-62.37	339.62	0.54	-61.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC[NH+](C)C	REAL250005071066	0	41	0.0	-66.51	344.26	0.68	-65.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCSC1	REAL250005071067	0	34	-1.0	-46.49	308.33	0.32	-46.17
CO[C@H](C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071068	0	35	-1.0	-47.85	305.22	-1.20	-49.05
CC(=O)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071069	0	36	-1.0	-47.03	317.30	-0.60	-47.63
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC1O	REAL250005071070	0	39	-1.0	-46.61	325.96	-2.63	-49.24
C[C@@H](O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071071	0	32	-1.0	-48.88	283.85	-3.42	-52.30
CC[NH+](CC)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071072	0	43	0.0	-61.34	339.88	0.53	-60.81
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC1	REAL250005071073	0	37	-1.0	-46.84	314.07	-3.34	-50.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005071073	1	38	0.0	-63.52	318.39	-0.13	-63.65
CC(C)C(O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071074	0	41	-1.0	-47.33	341.55	-1.63	-48.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1COC(=O)C1	REAL250005071075	0	35	-1.0	-50.49	308.90	-0.92	-51.41
CC(O)C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071076	0	38	-1.0	-44.80	319.12	-3.14	-47.94
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCOC1	REAL250005071077	0	37	-1.0	-46.98	314.88	-4.99	-51.97
CCC(C)(C#N)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071078	0	38	-1.0	-44.59	327.30	0.02	-44.57
C=C1CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071079	0	33	-1.0	-45.49	296.78	0.07	-45.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC=CC1	REAL250005071080	0	39	-1.0	-45.53	328.75	1.25	-44.28
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1OCCO1	REAL250005071081	0	37	-1.0	-47.63	319.84	-1.82	-49.45
COC(OC)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071082	0	36	-1.0	-46.28	310.84	-2.23	-48.51
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(C#N)CC1	REAL250005071083	0	36	-1.0	-52.30	320.69	0.36	-51.94
COC(=O)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071084	0	37	-1.0	-47.01	328.17	-0.48	-47.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCOC1	REAL250005071085	0	37	-1.0	-46.89	315.42	-1.10	-47.99
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)C(C)(C)C	REAL250005071086	0	41	-1.0	-45.75	333.87	-2.24	-47.99
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)COC1	REAL250005071087	0	36	-1.0	-45.03	308.40	-2.15	-47.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCCO1	REAL250005071088	0	37	-1.0	-45.11	317.10	-0.54	-45.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CCCO1	REAL250005071089	0	39	-1.0	-44.48	326.78	-1.05	-45.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N1	REAL250005071090	0	33	-1.0	-52.17	297.60	-4.84	-57.01
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CC(=O)N1	REAL250005071091	0	33	-1.0	-51.99	297.17	-4.92	-56.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CCCCC1	REAL250005071092	0	39	-1.0	-45.03	324.08	1.26	-43.77
CCC[C@H](O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071093	0	38	-1.0	-46.01	325.49	-1.79	-47.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(C)C1	REAL250005071094	0	41	-1.0	-44.56	337.42	1.16	-43.40
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL250005071095	0	40	-1.0	-46.57	332.62	-2.54	-49.11
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005071095	1	41	0.0	-60.36	336.50	0.52	-59.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC1(F)F	REAL250005071096	0	32	-1.0	-47.02	294.72	-0.30	-47.32
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CNN=C1	REAL250005071097	0	35	-1.0	-50.33	312.57	-1.81	-52.14
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(=O)C1	REAL250005071098	0	37	-1.0	-46.61	320.06	-0.35	-46.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CNC=C1	REAL250005071099	0	36	-1.0	-48.82	317.44	-0.39	-49.21
CCCC(C)(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071100	0	41	-1.0	-43.91	341.51	-2.39	-46.30
CCOC(C)(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071101	0	41	-1.0	-47.83	339.01	0.21	-47.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC(=O)C1	REAL250005071102	0	37	-1.0	-49.53	323.35	-0.13	-49.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CSC1	REAL250005071103	0	36	-1.0	-47.70	320.40	0.41	-47.29
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(F)CCC1	REAL250005071104	0	35	-1.0	-43.18	305.47	0.06	-43.12
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CN1	REAL250005071105	0	32	-1.0	-48.78	290.03	-1.42	-50.20
CC1=NOC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL250005071106	0	33	-1.0	-47.58	303.64	-3.48	-51.06
CCOC(=O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071107	0	37	-1.0	-51.82	326.52	0.60	-51.22
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)C1	REAL250005071108	0	34	-1.0	-50.62	301.70	-0.91	-51.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=CN=N1	REAL250005071109	0	34	-1.0	-57.93	306.82	-2.15	-60.08
C=CC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005071110	0	39	-1.0	-44.47	323.11	1.58	-42.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)COC1	REAL250005071111	0	34	-1.0	-47.36	298.30	-5.28	-52.64
CCC(C)C(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071112	0	41	-1.0	-45.78	336.54	-2.12	-47.90
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)=C1CC1	REAL250005071113	0	36	-1.0	-45.94	315.49	0.98	-44.96
CC1=CC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071114	0	33	-1.0	-45.76	298.27	0.20	-45.56
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)N(C)C	REAL250005071115	0	35	-1.0	-46.18	305.20	-2.42	-48.60
CC(=O)C1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071116	0	37	-1.0	-45.53	329.36	-0.15	-45.68
CCCC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071117	0	38	-1.0	-45.11	325.49	-1.79	-46.90
CCCCC(O)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071118	0	41	-1.0	-45.17	346.99	-1.01	-46.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1CC1	REAL250005071119	0	36	-1.0	-46.92	327.83	0.88	-46.04
CCC(O)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071120	0	38	-1.0	-47.59	324.88	-2.14	-49.73
CNC(=O)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071121	0	38	-1.0	-49.07	332.32	-2.96	-52.03
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCF	REAL250005071122	0	37	-1.0	-45.75	322.30	0.41	-45.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CSN=C1	REAL250005071123	0	31	-1.0	-46.24	294.00	-1.32	-47.56
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC(=O)C1	REAL250005071124	0	37	-1.0	-48.80	319.72	-0.29	-49.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC(=O)N1	REAL250005071125	0	33	-1.0	-52.70	297.17	-4.92	-57.62
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=NC=N1	REAL250005071126	0	34	-1.0	-55.24	307.73	0.58	-54.66
COC1(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071127	0	36	-1.0	-46.92	312.15	-0.92	-47.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CSC1	REAL250005071128	0	33	-1.0	-45.47	299.32	-0.34	-45.81
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(N)O1	REAL250005071129	0	33	-1.0	-47.08	302.26	-6.17	-53.25
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(CO)CC1	REAL250005071130	0	39	-1.0	-45.81	334.27	-2.59	-48.40
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC=CO1	REAL250005071131	0	37	-1.0	-47.16	318.20	0.38	-46.78
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(O)CCCC1	REAL250005071132	0	39	-1.0	-46.75	324.00	-2.41	-49.16
CCC1(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)COC1	REAL250005071133	0	39	-1.0	-45.10	325.60	-1.25	-46.35
C[C@H](CNC(=O)C1(C)CCCO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005071134	0	39	-1.0	-44.67	326.79	-1.05	-45.72
C[C@H](CNC(=O)C1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005071135	0	33	-1.0	-50.35	297.09	-4.69	-55.04
C[C@H](CNC(=O)[C@H]1CCO[C@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005071136	0	39	-1.0	-45.82	324.94	-1.23	-47.05
C[C@H](CNC(=O)C1CC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005071137	0	35	-1.0	-45.37	306.08	0.13	-45.24
CCC(O)C(C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005071138	0	41	-1.0	-45.94	338.02	-1.36	-47.30
C[C@H](CNC(=O)CC1CC(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL250005071139	0	36	-1.0	-50.50	318.06	-3.93	-54.43
C[C@H](CNC(=O)C(O)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005071140	0	39	-1.0	-44.40	327.06	-1.00	-45.40
C[C@H](CNC(=O)C1=CC=NO1)NC(=O)C1=CC(=O)[N-]O1	REAL250005071141	0	31	-1.0	-46.69	286.81	-1.52	-48.21
CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071142	0	38	-1.0	-46.33	306.55	1.21	-45.12
CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071143	0	35	-1.0	-46.67	286.22	0.40	-46.27
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005071144	0	39	-1.0	-46.29	317.31	2.06	-44.23
COCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071145	0	39	-1.0	-49.01	319.22	0.55	-48.46
CCCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071146	0	41	-1.0	-46.14	328.07	1.97	-44.17
CC(C)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071147	0	41	-1.0	-45.90	326.26	1.95	-43.95
NC(=O)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071148	0	36	-1.0	-48.85	302.13	-3.36	-52.21
C=CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071149	0	39	-1.0	-46.42	319.47	1.75	-44.67
O=C(CO)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071150	0	36	-1.0	-50.43	297.01	-1.72	-52.15
CC(O)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071151	0	39	-1.0	-47.04	317.33	-0.93	-47.97
O=C(CCF)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071152	0	38	-1.0	-46.05	313.15	1.35	-44.70
C[C@@H](O)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071153	0	39	-1.0	-46.90	317.26	-0.94	-47.84
C[C@H](O)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071154	0	39	-1.0	-47.02	317.25	-0.94	-47.96
CC=CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071155	0	39	-1.0	-46.60	320.03	1.79	-44.81
COCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071156	0	39	-1.0	-54.89	322.36	0.87	-54.02
CCCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071157	0	41	-1.0	-51.29	331.16	2.24	-49.05
CC(C)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071158	0	41	-1.0	-48.04	327.79	1.97	-46.07
CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071159	0	38	-1.0	-51.32	309.63	1.48	-49.84
CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071160	0	35	-1.0	-46.41	288.37	0.63	-45.78
O=C(NC[C@H]1CCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005071161	0	39	-1.0	-48.35	319.43	2.21	-46.14
NC(=O)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071162	0	36	-1.0	-46.95	302.45	-3.31	-50.26
O=C(CO)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071163	0	36	-1.0	-56.61	300.12	-1.41	-58.02
CC(O)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071164	0	39	-1.0	-48.24	316.54	-0.84	-49.08
CC(=O)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071165	0	37	-1.0	-47.69	311.06	0.64	-47.05
CC=CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071166	0	39	-1.0	-51.57	322.12	2.06	-49.51
C[C@H](O)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071167	0	39	-1.0	-48.70	315.83	-0.88	-49.58
C=CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071168	0	39	-1.0	-51.39	322.58	2.02	-49.37
N#CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071169	0	36	-1.0	-60.55	309.12	1.17	-59.38
O=C(CCF)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071170	0	38	-1.0	-49.73	316.22	1.61	-48.12
C[C@@H](O)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071171	0	39	-1.0	-49.31	315.83	-0.90	-50.21
C=CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005071172	0	36	-1.0	-51.64	300.39	1.18	-50.46
CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071173	0	32	-1.0	-48.29	270.12	0.84	-47.45
COCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071174	0	36	-1.0	-47.81	303.80	-0.09	-47.90
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2)C1	REAL250005071175	0	33	-1.0	-48.26	280.67	1.61	-46.65
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2)C1	REAL250005071176	0	36	-1.0	-48.15	296.88	2.12	-46.03
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC2)C1	REAL250005071177	0	39	-1.0	-48.36	311.41	3.59	-44.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC2)C1	REAL250005071178	0	36	-1.0	-48.62	300.91	2.28	-46.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)F)C1	REAL250005071179	0	35	-1.0	-45.87	292.15	1.29	-44.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(F)F)C1	REAL250005071180	0	32	-1.0	-45.17	280.59	0.88	-44.29
COCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071181	0	33	-1.0	-51.35	282.84	0.25	-51.10
CCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071182	0	35	-1.0	-47.95	292.10	1.65	-46.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CO2)C1	REAL250005071183	0	33	-1.0	-48.79	287.57	0.99	-47.80
CC(=O)NCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071184	0	36	-1.0	-49.88	308.78	-1.48	-51.36
CC(C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071185	0	38	-1.0	-47.63	308.35	2.20	-45.43
CC1CC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071186	0	36	-1.0	-47.88	302.50	2.32	-45.56
CCOCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071187	0	36	-1.0	-51.30	304.70	1.21	-50.09
CC(C)=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071188	0	36	-1.0	-47.58	299.46	2.09	-45.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCO2)C1	REAL250005071189	0	37	-1.0	-51.94	305.63	1.42	-50.52
CSCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071190	0	33	-1.0	-50.37	293.18	1.27	-49.10
CSCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071191	0	36	-1.0	-47.39	314.86	2.08	-45.31
CC(C)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071192	0	41	-1.0	-47.94	330.69	2.90	-45.04
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CN2)C1	REAL250005071193	0	34	-1.0	-50.27	288.33	0.90	-49.37
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=COC=C2)C1	REAL250005071194	0	33	-1.0	-51.47	284.14	0.72	-50.75
CCCCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071195	0	41	-1.0	-49.02	333.88	3.95	-45.07
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(C)(C)C)C1	REAL250005071196	0	41	-1.0	-46.68	323.80	2.76	-43.92
CCCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071197	0	38	-1.0	-47.93	313.60	2.43	-45.50
CC(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071198	0	35	-1.0	-47.99	290.62	1.39	-46.60
CCC(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071199	0	38	-1.0	-48.71	308.27	2.83	-45.88
CCC(CC)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071200	0	41	-1.0	-47.68	323.28	2.58	-45.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC=C2)C1	REAL250005071201	0	33	-1.0	-50.95	286.14	-0.48	-51.43
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NN2)C1	REAL250005071201	1	33	-1.0	-48.59	282.98	-0.56	-49.15
CSC(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071202	0	36	-1.0	-48.98	311.40	2.58	-46.40
CCOC(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071203	0	39	-1.0	-53.20	315.52	2.34	-50.86
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CNN=C2)C1	REAL250005071204	0	33	-1.0	-50.34	282.69	-0.87	-51.21
COCCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071205	0	39	-1.0	-51.73	324.55	1.46	-50.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NOC=C2)C1	REAL250005071206	0	32	-1.0	-49.37	282.12	0.32	-49.05
CCC=C(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071207	0	39	-1.0	-49.30	312.65	3.19	-46.11
COC(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071208	0	36	-1.0	-53.38	294.27	1.38	-52.00
CC(C)OCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071209	0	39	-1.0	-51.22	324.97	1.94	-49.28
CCCOCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071210	0	39	-1.0	-51.09	326.20	2.01	-49.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCOC2)C1	REAL250005071211	0	37	-1.0	-49.94	300.96	0.10	-49.84
CCC(OC)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071212	0	39	-1.0	-49.90	320.37	1.56	-48.34
COC(C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071213	0	39	-1.0	-49.22	322.93	1.45	-47.77
C=CCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071214	0	36	-1.0	-48.01	304.43	2.17	-45.84
CCOCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071215	0	39	-1.0	-47.71	325.65	0.88	-46.83
COCC(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071216	0	39	-1.0	-48.64	322.91	1.28	-47.36
C=CCOCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071217	0	37	-1.0	-51.62	317.60	1.78	-49.84
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=COC=N2)C1	REAL250005071218	0	32	-1.0	-49.15	282.33	-1.93	-51.08
CCCC(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071219	0	41	-1.0	-48.92	326.24	3.48	-45.44
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CC2)C1	REAL250005071220	0	39	-1.0	-48.40	323.10	3.08	-45.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC=CC2)C1	REAL250005071221	0	37	-1.0	-47.92	305.54	2.61	-45.31
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCC2)C1	REAL250005071222	0	39	-1.0	-48.63	317.02	3.83	-44.80
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005071223	0	39	-1.0	-48.61	317.56	3.59	-45.02
CC=C(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071224	0	36	-1.0	-48.60	293.35	1.67	-46.93
CC1CC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005071225	0	39	-1.0	-47.81	316.61	2.71	-45.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CCC2)C1	REAL250005071226	0	37	-1.0	-48.65	308.97	2.73	-45.92
CC(C)=C(F)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071227	0	36	-1.0	-48.55	308.23	2.01	-46.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CCCC2)C1	REAL250005071228	0	37	-1.0	-48.26	301.78	2.35	-45.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2(C)C)C1	REAL250005071229	0	39	-1.0	-47.62	316.34	3.75	-43.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC2(C)C)C1	REAL250005071230	0	39	-1.0	-47.46	317.67	2.75	-44.71
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCCO2)C1	REAL250005071231	0	37	-1.0	-51.88	304.11	1.27	-50.61
CCC(C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071232	0	41	-1.0	-48.51	325.83	3.66	-44.85
C#CCCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071233	0	37	-1.0	-51.90	318.16	3.69	-48.21
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(C)(C)O)C1	REAL250005071234	0	39	-1.0	-50.87	317.11	-0.04	-50.91
CC(C)[C@@H](O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071235	0	39	-1.0	-48.56	315.06	0.03	-48.53
CCC(C)=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071236	0	39	-1.0	-47.12	321.12	2.88	-44.24
CC(C)C#CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071237	0	37	-1.0	-48.39	319.49	2.86	-45.53
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C#CC2CC2)C1	REAL250005071238	0	35	-1.0	-48.70	309.19	3.04	-45.66
C=C(C)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071239	0	39	-1.0	-47.73	326.04	2.83	-44.90
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC2)C1	REAL250005071240	0	36	-1.0	-48.30	302.18	2.07	-46.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCO2)C1	REAL250005071241	0	37	-1.0	-53.57	305.91	2.23	-51.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNN=C2)C1	REAL250005071242	0	32	-1.0	-47.38	280.91	-1.90	-49.28
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(C)CC2)C1	REAL250005071243	0	39	-1.0	-47.89	320.74	2.78	-45.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=CO2)C1	REAL250005071244	0	32	-1.0	-49.19	282.42	-2.29	-51.48
C=CC(C)(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071245	0	39	-1.0	-47.40	310.42	2.84	-44.56
C[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071246	0	36	-1.0	-48.93	301.35	3.07	-45.86
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CCC2)C1	REAL250005071247	0	39	-1.0	-48.31	310.80	2.24	-46.07
CCC(F)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071248	0	35	-1.0	-48.05	296.79	1.58	-46.47
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCF)C1	REAL250005071249	0	35	-1.0	-51.74	297.47	2.53	-49.21
C[C@H]1C[C@@H]1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071250	0	36	-1.0	-48.02	302.02	2.28	-45.74
CC(C)C(F)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071251	0	38	-1.0	-47.28	311.30	2.18	-45.10
C=CCCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071252	0	39	-1.0	-49.42	325.19	3.73	-45.69
CCC(C)(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071253	0	41	-1.0	-47.73	316.27	2.14	-45.59
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(N)=O)C1	REAL250005071254	0	30	-1.0	-46.50	263.26	-3.91	-50.41
CC1CC1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071255	0	39	-1.0	-49.41	321.71	3.83	-45.58
CCC1(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005071256	0	39	-1.0	-48.30	320.29	2.67	-45.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CF)CC2)C1	REAL250005071257	0	36	-1.0	-46.40	302.61	2.00	-44.40
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C)C1	REAL250005071258	0	38	-1.0	-48.45	300.26	2.54	-45.91
CC(C)C(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071259	0	41	-1.0	-48.24	320.64	3.28	-44.96
CC[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071260	0	39	-1.0	-48.89	322.76	3.84	-45.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC23CC3)C1	REAL250005071261	0	37	-1.0	-48.50	313.12	3.08	-45.42
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CC(=O)N2)C1	REAL250005071262	0	34	-1.0	-55.98	294.12	-1.55	-57.53
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC(=O)N2)C1	REAL250005071263	0	34	-1.0	-56.04	295.04	-2.90	-58.94
COC1(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005071264	0	37	-1.0	-46.68	314.24	0.36	-46.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CSC2)C1	REAL250005071265	0	34	-1.0	-48.88	292.33	2.45	-46.43
C=CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071266	0	33	-1.0	-49.21	282.29	2.17	-47.04
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](C)C)C1	REAL250005071267	0	38	0.0	-71.91	305.71	1.55	-70.36
CN(C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071267	1	37	-1.0	-48.64	303.62	-0.85	-49.49
C=CC(O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071268	0	34	-1.0	-49.23	284.97	-0.26	-49.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2COC2)C1	REAL250005071269	0	34	-1.0	-52.04	287.15	-0.70	-52.74
CO[C@H](C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071270	0	36	-1.0	-51.31	300.30	0.70	-50.61
CC=CC(O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071271	0	37	-1.0	-48.26	315.11	0.09	-48.17
C[C@@H](C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071272	0	41	0.0	-69.40	318.55	2.64	-66.76
C[C@@H](C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005071272	1	40	-1.0	-48.66	313.48	-0.65	-49.31
CCC=C(F)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071273	0	36	-1.0	-45.52	306.62	2.09	-43.43
CCC=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071274	0	36	-1.0	-48.14	304.54	2.19	-45.95
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)CO)C1	REAL250005071276	0	39	-1.0	-47.73	310.72	-1.61	-49.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CCC2)C1	REAL250005071277	0	36	-1.0	-46.57	301.08	2.08	-44.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CO)C1	REAL250005071278	0	30	-1.0	-54.05	259.84	-1.25	-55.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC(N)=O)C1	REAL250005071279	0	34	-1.0	-50.57	299.85	-2.55	-53.12
CC(O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071280	0	33	-1.0	-48.00	279.52	-0.65	-48.65
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(O)CCC2)C1	REAL250005071281	0	37	-1.0	-47.04	306.06	-1.19	-48.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(O)C2CC2)C1	REAL250005071282	0	37	-1.0	-47.90	307.62	0.07	-47.83
C=CCC(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071283	0	39	-1.0	-48.38	321.55	3.39	-44.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2F)C1	REAL250005071284	0	33	-1.0	-47.43	286.75	2.50	-44.93
C[C@@H](C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071285	0	41	0.0	-69.40	318.55	2.64	-66.76
C[C@@H](C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005071285	1	40	-1.0	-48.66	313.48	-0.65	-49.31
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCF)C1	REAL250005071286	0	32	-1.0	-48.37	275.97	1.77	-46.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(O)COC2)C1	REAL250005071287	0	35	-1.0	-47.59	294.21	-3.32	-50.91
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005071288	0	37	-1.0	-49.17	307.85	2.61	-46.56
CCC1CC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071289	0	39	-1.0	-47.75	323.91	3.09	-44.66
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CC2)C1	REAL250005071290	0	37	-1.0	-52.12	313.48	-0.91	-53.03
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CCF)C1	REAL250005071291	0	33	-1.0	-50.27	289.63	1.54	-48.73
C#CCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071292	0	34	-1.0	-47.99	297.89	2.17	-45.82
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CCC2)C1	REAL250005071293	0	38	-1.0	-49.77	311.49	-1.25	-51.02
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC2)C1	REAL250005071293	1	39	0.0	-70.78	315.27	2.82	-67.96
C#C[C@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071294	0	35	-1.0	-50.95	303.51	2.77	-48.18
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C3CCC32)C1	REAL250005071295	0	37	-1.0	-47.87	303.89	2.93	-44.94
C=C1CCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071296	0	37	-1.0	-47.77	307.80	2.51	-45.26
C[C@H]1C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005071297	0	39	-1.0	-47.55	313.30	2.60	-44.95
C[C@H](C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071298	0	41	0.0	-69.60	323.18	1.85	-67.75
C[C@H](C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005071298	1	40	-1.0	-48.74	321.92	-0.39	-49.13
CC=CC=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071299	0	37	-1.0	-48.28	318.60	2.87	-45.41
COCC=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071300	0	37	-1.0	-50.17	316.81	0.47	-49.70
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)COC2)C1	REAL250005071301	0	37	-1.0	-46.84	303.82	-0.36	-47.20
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCO2)C1	REAL250005071302	0	34	-1.0	-52.52	288.43	0.39	-52.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN=[N+]=[N-])C1	REAL250005071303	0	34	-1.0	-47.29	300.74	-2.50	-49.79
C#CCOCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071304	0	35	-1.0	-54.16	310.48	1.74	-52.42
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)O)C1	REAL250005071305	0	36	-1.0	-51.15	293.05	-0.21	-51.36
CC1=CC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071306	0	34	-1.0	-48.82	295.65	2.32	-46.50
CN(C)C(=O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071307	0	36	-1.0	-46.31	300.67	-0.39	-46.70
CSC=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071308	0	34	-1.0	-47.71	305.35	1.73	-45.98
CCC(C)(O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071309	0	39	-1.0	-46.73	308.32	0.07	-46.66
CC[N@H+](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071310	0	41	0.0	-70.96	323.44	2.22	-68.74
CC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071310	1	41	0.0	-70.93	323.44	2.23	-68.70
CCN(C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071310	1	40	-1.0	-48.46	321.60	-0.06	-48.52
C=C1CC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005071311	0	37	-1.0	-48.52	306.04	3.29	-45.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2F)C1	REAL250005071312	0	36	-1.0	-51.94	301.30	2.23	-49.71
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CNC=N2)C1	REAL250005071313	0	33	-1.0	-51.71	286.07	0.73	-50.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=CN2)C1	REAL250005071313	1	33	-1.0	-51.47	283.17	0.67	-50.80
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(Cl)CC2)C1	REAL250005071314	0	33	-1.0	-45.99	291.22	1.85	-44.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CCCO2)C1	REAL250005071315	0	35	-1.0	-47.57	295.81	0.63	-46.94
CCC[C@H](O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071316	0	39	-1.0	-48.18	318.63	0.07	-48.11
CC(C)[C@H](O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071317	0	39	-1.0	-48.11	312.72	-0.01	-48.12
CCOC=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071318	0	37	-1.0	-47.98	316.38	1.05	-46.93
C[C@@H](O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071319	0	33	-1.0	-48.78	276.36	-1.45	-50.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCCF)C1	REAL250005071320	0	38	-1.0	-49.57	318.97	3.31	-46.26
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CCO)C1	REAL250005071321	0	34	-1.0	-51.58	294.55	-1.94	-53.52
COC(C)(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071322	0	39	-1.0	-46.74	313.34	0.30	-46.44
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCCO)C1	REAL250005071323	0	39	-1.0	-50.40	323.80	-0.16	-50.56
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CO)CC2)C1	REAL250005071324	0	37	-1.0	-51.82	310.73	-1.39	-53.21
COC(F)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071325	0	33	-1.0	-51.99	287.07	0.42	-51.57
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC2CC3)C1	REAL250005071326	0	37	-1.0	-48.43	306.74	2.64	-45.79
C=C[C@H](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071327	0	39	-1.0	-47.69	321.00	2.64	-45.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC2CC2)C1	REAL250005071328	0	37	-1.0	-48.50	314.53	3.94	-44.56
CC=C(CC)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071329	0	39	-1.0	-48.06	310.19	2.25	-45.81
C=CC(C)(O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071330	0	37	-1.0	-46.84	301.82	0.15	-46.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CCC2)C1	REAL250005071331	0	34	-1.0	-49.04	288.47	2.04	-47.00
CON=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071332	0	33	-1.0	-50.38	292.35	-0.61	-50.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC2)C1	REAL250005071333	0	33	-1.0	-46.30	284.16	1.52	-44.78
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COCCO)C1	REAL250005071334	0	37	-1.0	-54.42	316.07	-1.93	-56.35
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)CF)C1	REAL250005071335	0	38	-1.0	-46.49	306.36	1.70	-44.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NOCC2)C1	REAL250005071336	0	34	-1.0	-46.70	292.05	-0.28	-46.98
COCC(O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071337	0	37	-1.0	-49.41	311.90	-2.15	-51.56
C#CC(C)(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071338	0	37	-1.0	-47.70	310.37	2.17	-45.53
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2CC2)C1	REAL250005071339	0	37	-1.0	-52.67	314.17	2.92	-49.75
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CN2)C1	REAL250005071340	0	33	-1.0	-49.17	286.42	0.04	-49.13
CCCC=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071341	0	39	-1.0	-47.92	326.04	2.96	-44.96
CC=C(F)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071342	0	33	-1.0	-45.78	286.31	1.36	-44.42
CCC(CO)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071343	0	39	-1.0	-49.58	314.35	-0.49	-50.07
CC(CO)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071344	0	36	-1.0	-49.57	300.65	-1.13	-50.70
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CON=C2)C1	REAL250005071345	0	32	-1.0	-50.66	278.98	0.29	-50.37
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2C[C@H]2CF)C1	REAL250005071346	0	36	-1.0	-51.83	308.40	3.22	-48.61
C#CC1(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005071347	0	35	-1.0	-47.22	301.09	2.37	-44.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=COCC2)C1	REAL250005071348	0	35	-1.0	-48.58	292.22	0.37	-48.21
C[C@H](O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071349	0	33	-1.0	-49.33	278.45	-1.43	-50.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C=CCC2)C1	REAL250005071350	0	37	-1.0	-47.76	301.83	2.46	-45.30
CC(O)C(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071351	0	39	-1.0	-50.63	315.14	-0.27	-50.90
C=C1CC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071352	0	34	-1.0	-47.96	294.76	2.20	-45.76
CC(CF)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071353	0	35	-1.0	-48.49	296.05	2.31	-46.18
C=C(C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071354	0	36	-1.0	-48.10	304.65	2.04	-46.06
CCSCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071355	0	36	-1.0	-50.17	314.65	2.17	-48.00
CC(C)=C(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071356	0	39	-1.0	-48.57	321.08	2.47	-46.10
CCCC(O)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071357	0	39	-1.0	-48.49	320.53	0.14	-48.35
CCC(O)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071358	0	39	-1.0	-51.45	322.29	0.00	-51.45
CC(Cl)=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071359	0	33	-1.0	-49.36	295.42	1.94	-47.42
CC=CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071360	0	33	-1.0	-48.39	283.45	1.43	-46.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC2F)C1	REAL250005071361	0	36	-1.0	-50.11	307.77	2.11	-48.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005071362	0	37	-1.0	-51.71	308.66	-1.37	-53.08
C[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071363	0	36	-1.0	-48.93	301.35	3.07	-45.86
CNC(=O)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071364	0	36	-1.0	-59.64	306.21	-0.08	-59.72
C=CC=CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071365	0	37	-1.0	-48.93	318.28	2.81	-46.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC(N)=O)C1	REAL250005071366	0	36	-1.0	-51.00	307.06	-1.55	-52.55
CC(O)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071367	0	39	-1.0	-49.00	322.69	-0.11	-49.11
C#CCC(C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071368	0	37	-1.0	-48.87	315.67	3.39	-45.48
CC(CCO)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071369	0	39	-1.0	-52.56	316.16	-0.63	-53.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](O)CF)C1	REAL250005071370	0	33	-1.0	-48.90	282.86	-1.31	-50.21
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(O)CC2)C1	REAL250005071371	0	34	-1.0	-46.93	293.72	-1.87	-48.80
CN(C(=O)CC1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071372	0	36	-1.0	-45.62	301.46	3.18	-42.44
CN(C(=O)C(C)(C)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071373	0	35	-1.0	-49.92	290.26	1.92	-48.00
CN(C(=O)C(C)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071374	0	32	-1.0	-45.46	279.84	1.68	-43.78
COCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071375	0	33	-1.0	-47.94	283.30	1.01	-46.93
CCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071376	0	35	-1.0	-45.48	292.08	2.39	-43.09
CN(C(=O)C1=CC=CO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071377	0	33	-1.0	-47.66	287.12	2.01	-45.65
CC(=O)NCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071378	0	36	-1.0	-49.45	308.96	-0.73	-50.18
CC(C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071379	0	38	-1.0	-45.21	308.81	2.99	-42.22
CC1CC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071380	0	36	-1.0	-45.67	301.15	3.17	-42.50
CCOCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071381	0	36	-1.0	-47.91	305.16	1.97	-45.94
CC(C)=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071382	0	36	-1.0	-45.78	299.19	2.93	-42.85
CN(C(=O)C1CCCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071383	0	37	-1.0	-48.02	303.36	2.19	-45.83
CSCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071384	0	33	-1.0	-47.17	293.65	2.08	-45.09
CSCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071385	0	36	-1.0	-45.68	315.32	2.87	-42.81
CC(C)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071386	0	41	-1.0	-45.26	331.15	3.69	-41.57
CN(C(=O)C1=CC=CN1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071387	0	34	-1.0	-51.94	288.71	1.10	-50.84
CN(C(=O)C1=COC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071388	0	33	-1.0	-50.43	284.49	0.69	-49.74
CCCCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071389	0	41	-1.0	-45.39	335.08	3.95	-41.44
CN(C(=O)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071390	0	41	-1.0	-44.63	323.78	3.52	-41.11
CCCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071391	0	38	-1.0	-45.50	313.58	3.17	-42.33
CC(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071392	0	35	-1.0	-45.34	285.22	2.01	-43.33
CCC(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071393	0	38	-1.0	-53.28	307.08	2.75	-50.53
CCC(CC)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071394	0	41	-1.0	-45.10	318.94	3.10	-42.00
CN(C(=O)C1=NNC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071395	0	33	-1.0	-51.48	286.22	-0.22	-51.70
CN(C(=O)C1=CC=NN1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071395	1	33	-1.0	-49.67	283.66	-0.40	-50.07
CSC(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071396	0	36	-1.0	-46.82	308.44	2.51	-44.31
CCOC(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071397	0	39	-1.0	-47.41	319.84	2.44	-44.97
CN(C(=O)C1=CNN=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071398	0	33	-1.0	-48.81	282.68	-0.02	-48.83
COCCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071399	0	39	-1.0	-47.47	325.75	1.46	-46.01
CN(C(=O)C1=NOC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071400	0	32	-1.0	-50.04	282.16	1.45	-48.59
CCC=C(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071401	0	39	-1.0	-45.84	312.30	3.23	-42.61
COC(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071402	0	36	-1.0	-56.50	298.39	1.37	-55.13
CC(C)OCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071403	0	39	-1.0	-47.71	325.43	2.71	-45.00
CCCOCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071404	0	39	-1.0	-47.68	326.66	2.77	-44.91
CN(C(=O)C1CCOC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071405	0	37	-1.0	-52.21	300.46	-0.05	-52.26
CCC(OC)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071406	0	39	-1.0	-46.30	319.40	2.28	-44.02
COC(C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071407	0	39	-1.0	-46.90	323.39	2.22	-44.68
C=CCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071408	0	36	-1.0	-45.46	304.89	2.95	-42.51
CCOCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071409	0	39	-1.0	-45.92	326.11	1.66	-44.26
COCC(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071410	0	39	-1.0	-51.79	321.34	1.22	-50.57
C=CCOCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071411	0	37	-1.0	-48.07	318.06	2.55	-45.52
CN(C(=O)C1=COC=N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071412	0	32	-1.0	-49.61	282.83	-1.46	-51.07
CC(C#N)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071413	0	33	-1.0	-49.75	284.65	1.62	-48.13
CCCC(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071414	0	41	-1.0	-45.13	324.84	3.40	-41.73
CN(C(=O)CCC1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071415	0	39	-1.0	-49.82	324.01	3.08	-46.74
CN(C(=O)C1CC=CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071416	0	37	-1.0	-46.19	305.80	2.43	-43.76
CN(C(=O)CC1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071417	0	39	-1.0	-49.94	318.81	2.80	-47.14
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005071418	0	39	-1.0	-44.99	315.16	3.49	-41.50
CC=C(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071419	0	36	-1.0	-54.29	294.30	2.35	-51.94
CC1CC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005071420	0	39	-1.0	-49.68	317.70	2.71	-46.97
CN(C(=O)C=C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071421	0	37	-1.0	-49.79	309.24	2.73	-47.06
CC(C)=C(F)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071422	0	36	-1.0	-46.54	310.05	2.77	-43.77
CN(C(=O)C1=CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071423	0	37	-1.0	-49.53	300.70	2.37	-47.16
CN(C(=O)C1CC1(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071424	0	39	-1.0	-45.28	316.90	3.58	-41.70
CN(C(=O)[C@H]1CC1(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071425	0	39	-1.0	-45.28	316.47	3.70	-41.58
CN(C(=O)[C@@H]1CCCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071426	0	37	-1.0	-53.39	304.11	1.26	-52.13
CCC(C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071427	0	41	-1.0	-45.13	327.04	3.65	-41.48
C#CCCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071428	0	37	-1.0	-47.74	319.36	3.69	-44.05
CN(C(=O)CC(C)(C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071429	0	39	-1.0	-45.37	314.78	1.04	-44.33
CC(C)[C@@H](O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071430	0	39	-1.0	-45.43	312.80	0.79	-44.64
CCC(C)=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071431	0	39	-1.0	-45.49	320.71	3.69	-41.80
CC(C)C#CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071432	0	37	-1.0	-64.78	315.78	4.00	-60.78
CN(C(=O)C#CC1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071433	0	35	-1.0	-49.51	310.83	2.94	-46.57
CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071434	0	32	-1.0	-45.74	270.58	1.63	-44.11
COCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071435	0	36	-1.0	-45.96	304.25	0.70	-45.26
CN(C(=O)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071436	0	33	-1.0	-45.70	280.96	2.36	-43.34
CN(C(=O)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071437	0	36	-1.0	-49.56	296.73	2.08	-47.48
CN(C(=O)C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071438	0	39	-1.0	-49.73	312.81	2.50	-47.23
C=CCCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071439	0	39	-1.0	-45.70	326.39	3.74	-41.96
CCC(C)(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071440	0	41	-1.0	-53.00	314.55	2.66	-50.34
CN(C(=O)C(N)=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071441	0	30	-1.0	-55.86	258.90	-2.66	-58.52
CC1CC1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071442	0	39	-1.0	-49.91	323.27	3.04	-46.87
CCC1(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005071443	0	39	-1.0	-49.21	316.45	2.67	-46.54
CN(C(=O)C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071444	0	38	-1.0	-52.92	299.83	2.17	-50.75
C=C(C)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071445	0	39	-1.0	-45.21	326.54	3.63	-41.58
CN(C(=O)C1(CF)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071446	0	36	-1.0	-47.82	306.22	2.85	-44.97
CC(C)C(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071447	0	41	-1.0	-44.77	319.24	3.20	-41.57
CC[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071448	0	39	-1.0	-49.54	324.15	2.91	-46.63
CN(C(=O)C1CC12CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071449	0	37	-1.0	-45.98	312.31	3.95	-42.03
CN(C(=O)[C@H]1CCCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071450	0	37	-1.0	-49.04	303.99	1.20	-47.84
CN(C(=O)CC1(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071451	0	39	-1.0	-49.36	321.98	2.88	-46.48
CN(C(=O)C1(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071452	0	36	-1.0	-45.53	298.01	2.68	-42.85
CN(C(=O)C1=CNC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071453	0	34	-1.0	-55.08	288.56	0.65	-54.43
CN(C(=O)C1=CN=CO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071454	0	32	-1.0	-50.05	282.53	-2.06	-52.11
C=CC(C)(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071455	0	39	-1.0	-52.90	308.53	2.53	-50.37
C[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071456	0	36	-1.0	-49.35	302.07	2.23	-47.12
CN(C(=O)C1(C)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071457	0	39	-1.0	-45.24	308.32	3.00	-42.24
CCC(F)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071458	0	35	-1.0	-45.81	297.39	2.40	-43.41
CN(C(=O)CCCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071459	0	35	-1.0	-47.39	298.67	2.53	-44.86
C[C@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071460	0	36	-1.0	-45.61	301.58	3.04	-42.57
CC(C)C(F)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071461	0	38	-1.0	-45.56	315.57	2.90	-42.66
CN(C(=O)C1=NNN=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071462	0	32	-1.0	-47.34	280.87	-0.77	-48.11
CN(C(=O)CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071463	0	30	-1.0	-49.42	261.05	-1.27	-50.69
CN(C(=O)C=CC(N)=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071464	0	34	-1.0	-50.59	299.73	-1.75	-52.34
COC(=O)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071465	0	35	-1.0	-51.41	302.53	2.58	-48.83
CSC=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071466	0	34	-1.0	-46.44	305.34	2.54	-43.90
CN(C(=O)CCC(N)=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071467	0	36	-1.0	-50.17	308.27	-1.54	-51.71
CN(C(=O)C1CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071468	0	34	-1.0	-52.74	285.23	0.24	-52.50
CN(C(=O)C1(Cl)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071469	0	33	-1.0	-47.32	294.99	1.92	-45.40
CN(C(=O)C1=CCCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071470	0	35	-1.0	-47.94	296.12	0.98	-46.96
CN(C(=O)C1COC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071471	0	34	-1.0	-45.91	286.63	0.08	-45.83
CN(C(=O)C=CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071472	0	34	-1.0	-48.51	294.44	-1.13	-49.64
CC=CC(O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071473	0	37	-1.0	-45.72	308.82	0.86	-44.86
C[C@@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071474	0	41	0.0	-72.15	322.13	1.88	-70.27
C[C@@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005071474	1	40	-1.0	-53.50	312.71	-0.03	-53.53
CCC=C(F)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071475	0	36	-1.0	-45.87	306.83	2.95	-42.92
CCC=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071476	0	36	-1.0	-45.87	304.42	2.99	-42.88
CN(C(=O)CCN=[N+]=[N-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071477	0	34	-1.0	-45.50	300.73	-1.76	-47.26
C#CCOCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071478	0	35	-1.0	-50.28	310.94	2.51	-47.77
CC(O)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071479	0	39	-1.0	-47.20	323.92	-0.12	-47.32
C#CCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071480	0	34	-1.0	-46.14	297.86	2.91	-43.23
CC=CC=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071481	0	37	-1.0	-46.22	318.49	3.65	-42.57
COCC=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071482	0	37	-1.0	-47.26	316.69	1.27	-45.99
CCC(C)(O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071483	0	39	-1.0	-45.42	312.56	-0.06	-45.48
C#CCC(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071484	0	37	-1.0	-52.29	314.17	3.28	-49.01
C=CC(O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071485	0	34	-1.0	-45.86	287.12	0.00	-45.86
CN(C(=O)C12CC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071486	0	37	-1.0	-49.57	303.44	2.41	-47.16
C=C[C@H](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071487	0	39	-1.0	-49.20	321.91	2.64	-46.56
CN(C(=O)C=CC1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071488	0	37	-1.0	-49.48	315.63	2.92	-46.56
CCC(C#N)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071489	0	36	-1.0	-52.01	308.69	2.31	-49.70
CN(C(=O)C1C2CCC21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071490	0	37	-1.0	-49.55	304.03	2.80	-46.75
C=C1CCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071491	0	37	-1.0	-48.81	306.93	2.34	-46.47
C[C@H]1C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005071492	0	39	-1.0	-49.25	318.55	2.79	-46.46
CC[N@H+](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071493	0	41	0.0	-65.96	323.84	2.99	-62.97
CC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071493	1	41	0.0	-66.49	323.47	3.09	-63.40
CCN(C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071493	1	40	-1.0	-45.86	322.06	0.70	-45.16
CC(O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071494	0	33	-1.0	-46.12	276.27	-0.72	-46.84
CC(=O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071495	0	31	-1.0	-46.99	270.96	0.81	-46.18
CN(C(=O)CCCC#N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071496	0	36	-1.0	-52.39	312.94	2.91	-49.48
CN(C(=O)C1(C#N)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071497	0	34	-1.0	-50.14	298.99	1.43	-48.71
C=C1CC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005071498	0	37	-1.0	-49.12	309.82	2.47	-46.65
CN(C(=O)C1(F)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071499	0	33	-1.0	-46.65	285.00	1.54	-45.11
COC(C)(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071500	0	39	-1.0	-56.10	306.40	1.47	-54.63
CC(CC#N)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071501	0	36	-1.0	-53.53	307.74	2.46	-51.07
CCC1CC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071502	0	39	-1.0	-48.90	318.65	2.92	-45.98
C=CC(C)(O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071503	0	37	-1.0	-50.39	306.30	-0.19	-50.58
CCCC=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071504	0	39	-1.0	-45.76	325.92	3.77	-41.99
CC=C(F)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071505	0	33	-1.0	-46.06	286.53	2.21	-43.85
C[C@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071506	0	41	0.0	-64.60	322.46	2.71	-61.89
C[C@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005071506	1	40	-1.0	-45.62	313.63	0.12	-45.50
CCOC=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071507	0	37	-1.0	-47.31	316.36	1.85	-45.46
CC(=O)OCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071508	0	35	-1.0	-49.53	306.66	2.60	-46.93
CC(=O)C=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071509	0	35	-1.0	-48.74	306.71	2.09	-46.65
CN(C(=O)COC1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071510	0	37	-1.0	-48.41	315.53	2.76	-45.65
CN(C(=O)C1=NC=CN1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071511	0	33	-1.0	-49.30	286.42	0.33	-48.97
CC(CO)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071512	0	36	-1.0	-52.15	299.08	-1.19	-53.34
CN(C(=O)C1=CON=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071513	0	32	-1.0	-47.36	278.60	1.00	-46.36
CN(C(=O)CCCCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071514	0	39	-1.0	-47.32	325.00	-0.16	-47.48
CN(C(=O)C(=O)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071515	0	35	-1.0	-46.74	301.60	2.40	-44.34
CN(C(=O)CC1(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071516	0	37	-1.0	-53.72	312.45	-1.11	-54.83
CN(C(=O)C1CCC1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071517	0	36	-1.0	-51.59	300.48	2.05	-49.54
CN(C(=O)[C@@H]1C[C@H]1CF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071518	0	36	-1.0	-47.11	308.99	3.17	-43.94
CCC(CO)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071519	0	39	-1.0	-46.24	320.30	-0.45	-46.69
CN(C(=O)[C@@H]1C[C@@H]1C#N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071520	0	34	-1.0	-60.96	297.65	1.87	-59.09
CN(C(=O)C1=COCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071521	0	35	-1.0	-46.63	290.05	1.12	-45.51
CN(C(=O)C1(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071522	0	34	-1.0	-47.93	286.66	-1.27	-49.20
CN(C(=O)C1=CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071523	0	34	-1.0	-46.82	287.01	2.77	-44.05
CC(CF)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071524	0	35	-1.0	-51.36	294.46	2.23	-49.13
CC(Cl)=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071525	0	33	-1.0	-46.72	295.65	2.74	-43.98
CC=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071526	0	33	-1.0	-46.15	283.33	2.23	-43.92
CN(C(=O)C1(C)CC1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071527	0	36	-1.0	-47.66	305.56	1.89	-45.77
CN(C(=O)C=CCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071528	0	33	-1.0	-47.21	289.52	2.34	-44.87
CN(C(=O)C1(CO)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071529	0	37	-1.0	-48.67	310.99	-0.63	-49.30
CN(C(=O)C1=CC=NO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071530	0	32	-1.0	-47.68	282.78	0.37	-47.31
C[C@H](O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071532	0	33	-1.0	-54.15	276.99	-1.56	-55.71
CON=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071533	0	33	-1.0	-67.42	287.20	0.48	-66.94
CC(C)[C@H](O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071534	0	39	-1.0	-45.21	314.44	0.85	-44.36
C#CC1(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005071535	0	35	-1.0	-46.16	301.81	3.12	-43.04
C=CC=CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071536	0	37	-1.0	-46.07	318.74	3.59	-42.48
C#C[C@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071537	0	35	-1.0	-52.58	303.55	2.73	-49.85
CC=C(CC)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071538	0	39	-1.0	-45.94	323.41	3.45	-42.49
COC(F)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071539	0	33	-1.0	-47.55	288.43	0.48	-47.07
COCC(O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071540	0	37	-1.0	-46.80	309.83	-1.45	-48.25
CN(C(=O)[C@@H]1C[C@H]1C#N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071541	0	34	-1.0	-51.17	301.67	1.99	-49.18
CN(C(=O)[C@H]1C[C@@H](O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071542	0	37	-1.0	-53.53	307.55	-1.31	-54.84
CN(C(=O)COCCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071543	0	37	-1.0	-51.08	316.53	-1.16	-52.24
CN(C(=O)C(C)(C)CF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071544	0	38	-1.0	-50.53	305.05	2.25	-48.28
CN(C(=O)C(C)(C)CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071545	0	39	-1.0	-51.47	309.47	-1.06	-52.53
C=CCC(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071546	0	39	-1.0	-52.88	320.12	3.30	-49.58
C[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071547	0	36	-1.0	-49.35	302.07	2.23	-47.12
CN(C(=O)C(C)(C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071548	0	36	-1.0	-57.59	291.01	-0.53	-58.12
CN(C(=O)C1=NOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071549	0	34	-1.0	-48.46	291.60	0.76	-47.70
CC(C#N)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071550	0	36	-1.0	-47.83	308.13	2.67	-45.16
CC(CCO)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071551	0	39	-1.0	-47.98	314.76	-0.72	-48.70
CN(C(=O)[C@H](O)CF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071552	0	33	-1.0	-46.89	282.78	-0.59	-47.48
CN(C(=O)C1(O)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071553	0	37	-1.0	-47.36	305.11	-1.10	-48.46
CN(C(=O)C(O)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071554	0	37	-1.0	-49.62	305.92	-0.22	-49.84
C=C(C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071555	0	36	-1.0	-45.60	305.11	2.82	-42.78
CN(C(=O)C(C)(C)C#N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071556	0	36	-1.0	-58.76	299.21	1.70	-57.06
CCSCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071557	0	36	-1.0	-47.05	315.11	2.97	-44.08
CC(C)=C(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071558	0	39	-1.0	-46.12	322.45	3.38	-42.74
CNC(=O)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071559	0	36	-1.0	-54.63	306.67	0.65	-53.98
CN(C(=O)C1CC(F)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071560	0	36	-1.0	-52.51	303.89	2.17	-50.34
C=CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071561	0	33	-1.0	-45.74	283.49	2.17	-43.57
CN(C(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071562	0	38	0.0	-67.15	306.17	2.31	-64.84
CN(C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071562	1	37	-1.0	-45.95	304.08	-0.09	-46.04
CN(C(=O)CC#N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071563	0	30	-1.0	-52.02	270.05	1.30	-50.72
CN(C(=O)C1CC1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071564	0	33	-1.0	-53.29	287.55	1.54	-51.75
C[C@@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071565	0	41	0.0	-72.15	322.13	1.88	-70.27
C[C@@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005071565	1	40	-1.0	-53.50	312.71	-0.03	-53.53
CN(C(=O)CCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071566	0	32	-1.0	-45.50	277.17	1.77	-43.73
CN(C(=O)C1C=CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071567	0	37	-1.0	-49.07	301.77	2.31	-46.76
C#CC(C)(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071568	0	37	-1.0	-54.89	305.63	2.58	-52.31
CO[C@H](C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071569	0	36	-1.0	-47.46	297.92	1.49	-45.97
CC(=O)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071570	0	37	-1.0	-48.54	315.28	2.30	-46.24
C[C@@H](O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071571	0	33	-1.0	-46.14	276.27	-0.72	-46.86
CN(C(=O)CN1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071572	0	38	-1.0	-46.61	311.95	-0.49	-47.10
CN(C(=O)C[NH+]1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071572	1	39	0.0	-66.37	316.27	2.72	-63.65
CC(O)C(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071573	0	39	-1.0	-47.68	312.71	0.41	-47.27
C=C1CC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071574	0	34	-1.0	-46.01	293.87	2.94	-43.07
COC(OC)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071575	0	37	-1.0	-54.37	306.67	0.77	-53.60
CN(C(=O)C1(C)COC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071576	0	37	-1.0	-49.74	302.70	-0.48	-50.22
CN(C(=O)C1CC(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071577	0	34	-1.0	-56.82	294.91	-2.82	-59.64
CN(C(=O)[C@@H]1CC(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071578	0	34	-1.0	-58.01	294.16	-3.02	-61.03
CCC[C@H](O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071579	0	39	-1.0	-45.44	320.02	0.89	-44.55
CN(C(=O)C1(F)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071580	0	36	-1.0	-47.31	300.98	1.95	-45.36
CN(C(=O)C1=CNC=N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071581	0	33	-1.0	-51.83	286.24	1.28	-50.55
CN(C(=O)C1=CN=CN1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071581	1	33	-1.0	-53.04	283.50	0.96	-52.08
CN(C(=O)C1CC(=O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071582	0	35	-1.0	-57.02	298.82	1.13	-55.89
CN(C(=O)C1(O)COC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071583	0	35	-1.0	-48.75	296.45	-3.36	-52.11
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005071584	0	37	-1.0	-46.16	317.62	3.70	-42.46
CC1=CC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071585	0	34	-1.0	-46.73	295.49	3.09	-43.64
CN(C)C(=O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071586	0	36	-1.0	-48.97	300.96	0.50	-48.47
CCCC(O)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071587	0	39	-1.0	-52.90	319.06	0.78	-52.12
CCC(O)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071588	0	39	-1.0	-47.99	322.75	0.76	-47.23
CN(C(=O)CCCCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071589	0	38	-1.0	-46.38	320.17	3.31	-43.07
CN(C(=O)[C@H]1CC(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071590	0	34	-1.0	-57.35	294.44	-2.69	-60.04
COC1(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005071591	0	37	-1.0	-47.00	313.11	0.62	-46.38
CN(C(=O)C1CSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071592	0	34	-1.0	-45.60	295.02	2.47	-43.13
C=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071593	0	30	-1.0	-62.37	256.58	1.67	-60.70
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(=O)N2)C1	REAL250005071594	0	34	-1.0	-56.11	294.61	-2.83	-58.94
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(F)C2)C1	REAL250005071595	0	36	-1.0	-50.95	303.31	2.12	-48.83
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NO2)C1	REAL250005071596	0	32	-1.0	-47.26	282.16	0.38	-46.88
CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005071597	0	39	-1.0	-55.64	307.93	1.59	-54.05
CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005071598	0	39	-1.0	-48.24	309.24	1.65	-46.59
CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071599	0	37	-1.0	-48.63	302.69	1.05	-47.58
COCCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071600	0	41	-1.0	-48.37	336.36	0.12	-48.25
CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071601	0	34	-1.0	-48.92	282.40	0.23	-48.69
CC(CNC(=O)C1CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071602	0	38	-1.0	-48.71	313.34	1.81	-46.90
CC(CNC(=O)C1CCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071603	0	41	-1.0	-48.31	329.42	2.32	-45.99
CC(CNC(=O)CC1CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071604	0	41	-1.0	-48.64	333.63	2.59	-46.05
COCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071605	0	38	-1.0	-51.38	315.41	0.41	-50.97
CCCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071606	0	40	-1.0	-48.40	324.19	1.82	-46.58
CC(C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071607	0	43	-1.0	-47.92	340.91	2.40	-45.52
CC(CNC(=O)C1CC1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071608	0	41	-1.0	-48.66	334.46	2.47	-46.19
CCOCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071609	0	41	-1.0	-51.39	337.26	1.37	-50.02
CC(C)=CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071610	0	41	-1.0	-48.02	332.23	2.38	-45.64
CCCCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071611	0	43	-1.0	-48.37	345.68	2.60	-45.77
CC(C)C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071612	0	40	-1.0	-48.25	322.23	1.71	-46.54
CCC(C)C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071613	0	43	-1.0	-48.13	340.36	2.36	-45.77
COC(C)C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071614	0	41	-1.0	-51.18	334.39	1.16	-50.02
C=CCCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071615	0	41	-1.0	-48.17	337.00	2.38	-45.79
CC=C(C)C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071616	0	41	-1.0	-48.76	331.00	2.34	-46.42
CC(CNC(=O)C1(C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071617	0	41	-1.0	-48.53	331.10	2.42	-46.11
CC(CNC(=O)[C@@H]1C[C@H]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071618	0	41	-1.0	-48.43	335.13	2.52	-45.91
CC(CNC(=O)[C@H]1C[C@@H]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071619	0	41	-1.0	-48.40	335.15	2.51	-45.89
CC(CNC(=O)C(N)=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071620	0	35	-1.0	-48.74	298.03	-3.61	-52.35
CC(CNC(=O)C(C)(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071621	0	43	-1.0	-48.13	341.12	2.29	-45.84
C=CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071622	0	38	-1.0	-48.62	315.60	1.59	-47.03
CC(CNC(=O)C[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071623	0	43	0.0	-69.82	338.28	1.77	-68.05
CC(CNC(=O)CN(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071623	1	42	-1.0	-48.83	336.19	-0.62	-49.45
C=CC(O)C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071624	0	39	-1.0	-48.70	326.69	-0.54	-49.24
CC(CNC(=O)C1COC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071625	0	39	-1.0	-49.42	319.93	-0.47	-49.89
CO[C@H](C)C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071626	0	41	-1.0	-51.07	335.19	1.13	-49.94
CCC=CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071627	0	41	-1.0	-48.47	337.35	2.42	-46.05
CC(CNC(=O)CO)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071629	0	35	-1.0	-53.01	293.16	-1.87	-54.88
CC(O)C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071630	0	38	-1.0	-52.49	313.82	-1.10	-53.59
CC(CNC(=O)C1CC1F)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071631	0	38	-1.0	-52.65	319.29	1.86	-50.79
CC(CNC(=O)CCF)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071632	0	37	-1.0	-47.87	309.28	1.19	-46.68
CC(CNC(=O)C=CCF)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071633	0	38	-1.0	-50.06	322.44	1.78	-48.28
C#CCCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071634	0	39	-1.0	-48.64	329.97	2.33	-46.31
CC(CNC(=O)C1CCO1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071635	0	39	-1.0	-51.73	320.35	0.59	-51.14
CC(CNC(=O)C(C)(C)O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071636	0	41	-1.0	-47.34	333.17	-1.53	-48.87
CC1=CC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071637	0	39	-1.0	-49.44	328.25	2.52	-46.92
CC(CNC(=O)[C@@H](C)O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071638	0	38	-1.0	-49.86	313.36	-1.10	-50.96
CC(CNC(=O)C=CCO)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071639	0	39	-1.0	-51.52	327.36	-1.70	-53.22
CC(CNC(=O)C1=CCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071640	0	39	-1.0	-49.53	323.57	2.37	-47.16
CON=CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071641	0	38	-1.0	-50.89	325.15	-0.37	-51.26
CC(CNC(=O)C1(F)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071642	0	38	-1.0	-47.09	318.31	1.88	-45.21
CC=C(F)C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071643	0	38	-1.0	-47.11	321.23	1.73	-45.38
CC(CNC(=O)C(C)CO)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071644	0	41	-1.0	-48.59	332.82	-1.57	-50.16
CC(CNC(=O)[C@H](C)O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071645	0	38	-1.0	-49.36	313.37	-1.10	-50.46
C=C1CC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071646	0	39	-1.0	-48.85	326.66	2.37	-46.48
C=C(C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071647	0	41	-1.0	-48.48	337.21	2.25	-46.23
CC=CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071648	0	38	-1.0	-48.73	316.26	1.66	-47.07
CC(CNC(=O)[C@@H]1C[C@H]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071649	0	41	-1.0	-48.43	335.13	2.52	-45.91
CC(CNC(=O)C1(O)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071650	0	39	-1.0	-47.86	321.52	-1.25	-49.11
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CC1	REAL250005071651	0	41	-1.0	-48.13	335.62	2.71	-45.42
COCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071652	0	38	-1.0	-52.66	317.91	0.56	-52.10
CCCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071653	0	40	-1.0	-49.19	326.69	1.93	-47.26
CC(C)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071654	0	43	-1.0	-48.64	343.42	2.53	-46.11
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC1C	REAL250005071655	0	41	-1.0	-49.25	336.27	2.57	-46.68
CCOCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071656	0	41	-1.0	-52.77	339.77	1.52	-51.25
CC(C)=CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071657	0	41	-1.0	-47.18	333.32	2.45	-44.73
CCCCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071658	0	43	-1.0	-49.23	348.19	2.72	-46.51
CC(C)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071659	0	40	-1.0	-49.20	319.83	1.55	-47.65
CCC(C)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071660	0	43	-1.0	-49.19	337.95	2.19	-47.00
COC(C)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071661	0	41	-1.0	-52.75	334.06	1.06	-51.69
C=CCCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071662	0	41	-1.0	-48.99	339.50	2.50	-46.49
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)C#N	REAL250005071663	0	38	-1.0	-55.62	318.75	1.15	-54.47
CC=C(C)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071664	0	41	-1.0	-49.65	333.90	2.10	-47.55
CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071665	0	37	-1.0	-49.29	305.19	1.17	-48.12
COCCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071666	0	41	-1.0	-48.78	338.86	0.24	-48.54
CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071667	0	34	-1.0	-49.42	284.21	0.33	-49.09
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC1	REAL250005071668	0	38	-1.0	-47.95	315.12	1.89	-46.06
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC1	REAL250005071669	0	41	-1.0	-47.81	329.84	2.37	-45.44
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(N)=O	REAL250005071670	0	35	-1.0	-46.71	298.76	-3.44	-50.15
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)(C)C	REAL250005071671	0	43	-1.0	-49.37	334.05	1.84	-47.53
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(C)CC1	REAL250005071672	0	41	-1.0	-48.09	331.74	2.22	-45.87
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H]1C[C@H]1C	REAL250005071673	0	41	-1.0	-47.93	336.05	2.57	-45.36
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H]1C[C@@H]1C	REAL250005071674	0	41	-1.0	-49.27	336.28	2.57	-46.70
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CO	REAL250005071675	0	35	-1.0	-54.31	295.66	-1.73	-56.04
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCO1	REAL250005071676	0	39	-1.0	-53.00	322.15	0.65	-52.35
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1COC1	REAL250005071677	0	39	-1.0	-49.70	321.35	-0.39	-50.09
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=CCO	REAL250005071678	0	39	-1.0	-52.82	329.04	-1.60	-54.42
CCC=CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071679	0	41	-1.0	-49.30	339.02	2.52	-46.78
C#CCCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071680	0	39	-1.0	-49.11	332.47	2.45	-46.66
C=CC(O)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071681	0	39	-1.0	-49.95	321.73	-0.46	-50.41
CC(O)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071682	0	38	-1.0	-48.76	311.71	-1.22	-49.98
CC(=O)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071683	0	36	-1.0	-46.05	305.61	0.36	-45.69
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(F)CC1	REAL250005071684	0	38	-1.0	-46.06	319.05	1.87	-44.19
CC=C(F)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071685	0	38	-1.0	-45.63	320.20	1.74	-43.89
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)CO	REAL250005071686	0	41	-1.0	-49.07	330.41	-1.75	-50.82
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(O)CC1	REAL250005071687	0	39	-1.0	-47.69	326.53	-1.36	-49.05
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CCC1	REAL250005071688	0	39	-1.0	-49.19	321.09	2.30	-46.89
CC=CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071689	0	38	-1.0	-49.50	317.94	1.76	-47.74
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=CCF	REAL250005071690	0	38	-1.0	-51.32	324.13	1.88	-49.44
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H](C)O	REAL250005071692	0	38	-1.0	-48.76	311.71	-1.22	-49.98
CON=CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071693	0	38	-1.0	-52.03	326.83	-0.31	-52.34
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H]1C[C@H]1C	REAL250005071694	0	41	-1.0	-47.93	336.05	2.57	-45.36
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)(C)O	REAL250005071695	0	41	-1.0	-47.38	330.35	-1.22	-48.60
C=C(C)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071696	0	41	-1.0	-49.12	339.72	2.36	-46.76
C=CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071697	0	38	-1.0	-49.33	318.10	1.71	-47.62
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+](C)C	REAL250005071698	0	43	0.0	-70.81	340.78	1.85	-68.96
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN(C)C	REAL250005071698	1	42	-1.0	-49.67	338.69	-0.54	-50.21
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC#N	REAL250005071699	0	35	-1.0	-58.38	304.65	0.85	-57.53
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC1F	REAL250005071700	0	38	-1.0	-46.42	322.20	1.99	-44.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCF	REAL250005071701	0	37	-1.0	-48.21	311.78	1.31	-46.90
CO[C@H](C)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071702	0	41	-1.0	-51.47	332.09	0.96	-50.51
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H](C)O	REAL250005071703	0	38	-1.0	-49.11	310.65	-1.25	-50.36
C=C1CC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071704	0	39	-1.0	-48.05	328.24	2.48	-45.57
CC1=CC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071705	0	39	-1.0	-49.88	329.99	2.60	-47.28
C=CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071706	0	35	-1.0	-49.53	296.21	0.88	-48.65
CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071707	0	41	-1.0	-48.82	320.08	3.10	-45.72
CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071708	0	38	-1.0	-49.08	298.70	2.27	-46.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CO	REAL250005071709	0	39	-1.0	-53.63	310.54	0.20	-53.43
CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071710	0	41	-1.0	-47.57	320.70	3.25	-44.32
CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071711	0	38	-1.0	-55.84	299.09	2.41	-53.43
CN(CC1CCN(C(=O)CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005071712	0	39	-1.0	-60.56	310.21	0.37	-60.19
C=CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071713	0	39	-1.0	-55.98	311.49	2.94	-53.04
CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005071714	0	39	-1.0	-49.74	310.79	1.41	-48.33
CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005071715	0	39	-1.0	-49.66	313.69	1.65	-48.01
CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071716	0	35	-1.0	-48.50	276.46	2.18	-46.32
COCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071717	0	39	-1.0	-47.97	312.76	1.60	-46.37
CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071718	0	32	-1.0	-44.82	256.49	1.67	-43.15
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC2)CC1	REAL250005071719	0	36	-1.0	-48.72	286.69	2.91	-45.81
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC2)CC1	REAL250005071720	0	39	-1.0	-55.28	301.37	3.37	-51.91
O=C(CC1CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071721	0	39	-1.0	-55.68	307.44	3.73	-51.95
CC(C)(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071722	0	38	-1.0	-45.00	296.12	2.88	-42.12
COCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071723	0	36	-1.0	-51.62	291.81	1.93	-49.69
CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071724	0	38	-1.0	-48.74	300.58	3.30	-45.44
CC(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071725	0	41	-1.0	-48.29	314.68	3.54	-44.75
CC1CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071726	0	39	-1.0	-48.19	310.63	3.94	-44.25
CCOCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071727	0	39	-1.0	-51.61	313.66	2.89	-48.72
CC(C)=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071728	0	39	-1.0	-47.59	307.52	3.82	-43.77
CSCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071729	0	36	-1.0	-50.75	302.15	2.99	-47.76
CCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071730	0	41	-1.0	-48.89	322.08	4.08	-44.81
CC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071731	0	38	-1.0	-48.20	294.63	2.95	-45.25
CCC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071732	0	41	-1.0	-47.95	308.75	3.44	-44.51
COC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071733	0	39	-1.0	-50.76	307.23	2.38	-48.38
C=CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071734	0	39	-1.0	-48.63	313.39	3.85	-44.78
CC=C(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071735	0	39	-1.0	-47.70	310.81	3.63	-44.07
CC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005071736	0	39	-1.0	-47.73	302.30	3.46	-44.27
C[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071737	0	39	-1.0	-55.46	308.11	3.58	-51.88
CCC(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071738	0	38	-1.0	-43.93	303.77	3.24	-40.69
O=C(CCCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071739	0	38	-1.0	-51.92	307.18	3.44	-48.48
C[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071740	0	39	-1.0	-55.90	309.18	3.64	-52.26
NC(=O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071741	0	33	-1.0	-44.81	268.78	-2.10	-46.91
CC(C)(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071742	0	41	-1.0	-48.67	302.31	2.69	-45.98
C=CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071743	0	36	-1.0	-49.00	292.00	3.07	-45.93
C[NH+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071744	0	41	0.0	-52.45	312.04	2.84	-49.61
CN(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071744	1	40	-1.0	-48.97	312.59	0.82	-48.15
C=CC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071745	0	37	-1.0	-48.16	291.48	0.51	-47.65
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2COC2)CC1	REAL250005071746	0	37	-1.0	-48.79	293.73	0.93	-47.86
CO[C@H](C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071747	0	39	-1.0	-56.67	306.91	2.13	-54.54
CCC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071748	0	39	-1.0	-48.24	312.67	3.88	-44.36
O=C(CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071750	0	33	-1.0	-53.59	269.56	-0.36	-53.95
CC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071751	0	36	-1.0	-52.45	281.09	0.04	-52.41
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC2F)CC1	REAL250005071752	0	36	-1.0	-47.52	295.44	3.36	-44.16
O=C(CCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071753	0	35	-1.0	-47.87	285.68	2.67	-45.20
O=C(C=CCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071754	0	36	-1.0	-50.59	297.77	3.24	-47.35
C#CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071755	0	37	-1.0	-48.52	306.37	3.80	-44.72
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCO2)CC1	REAL250005071756	0	37	-1.0	-52.90	293.39	1.60	-51.30
CC(C)(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071757	0	39	-1.0	-52.17	292.67	0.35	-51.82
CC1=CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071758	0	37	-1.0	-56.33	301.78	3.63	-52.70
C[C@@H](O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071759	0	36	-1.0	-55.34	284.84	-0.09	-55.43
O=C(C=CCO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071760	0	37	-1.0	-51.78	302.69	-0.24	-52.02
O=C(C1=CCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071761	0	37	-1.0	-61.99	288.56	3.14	-58.85
CON=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071762	0	36	-1.0	-49.60	300.48	1.07	-48.53
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(F)CC2)CC1	REAL250005071763	0	36	-1.0	-43.34	287.54	3.07	-40.27
CC=C(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071764	0	36	-1.0	-43.16	291.72	3.02	-40.14
CC(CO)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071765	0	39	-1.0	-47.51	303.10	-0.39	-47.90
C[C@H](O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071766	0	36	-1.0	-52.55	281.04	-0.23	-52.78
C=C1CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071767	0	37	-1.0	-47.96	302.83	3.84	-44.12
CC(CF)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071768	0	38	-1.0	-46.62	296.72	2.92	-43.70
C=C(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071769	0	39	-1.0	-48.62	313.61	3.73	-44.89
CC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071770	0	36	-1.0	-48.48	291.58	3.12	-45.36
C[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071771	0	39	-1.0	-55.46	308.11	3.58	-51.88
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(O)CC2)CC1	REAL250005071772	0	37	-1.0	-46.54	294.48	0.27	-46.27
O=C(CC1CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071773	0	39	-1.0	-55.68	307.44	3.73	-51.95
CC(C)(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071774	0	38	-1.0	-45.00	296.12	2.88	-42.12
COCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071775	0	36	-1.0	-51.62	291.81	1.93	-49.69
CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071776	0	38	-1.0	-48.74	300.58	3.30	-45.44
CC(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071777	0	41	-1.0	-48.29	314.68	3.54	-44.75
CC1CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071778	0	39	-1.0	-48.19	310.63	3.94	-44.25
CCOCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071779	0	39	-1.0	-51.61	313.66	2.89	-48.72
CC(C)=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071780	0	39	-1.0	-47.59	307.52	3.82	-43.77
CSCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071781	0	36	-1.0	-50.75	302.15	2.99	-47.76
CCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071782	0	41	-1.0	-48.89	322.08	4.08	-44.81
CC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071783	0	38	-1.0	-48.20	294.63	2.95	-45.25
CCC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071784	0	41	-1.0	-47.95	308.75	3.44	-44.51
COC(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071785	0	39	-1.0	-50.76	307.23	2.38	-48.38
C=CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071786	0	39	-1.0	-48.63	313.39	3.85	-44.78
CC(C#N)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071787	0	36	-1.0	-55.21	290.36	2.42	-52.79
CC=C(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071788	0	39	-1.0	-47.70	310.81	3.63	-44.07
CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071789	0	35	-1.0	-48.50	276.46	2.18	-46.32
COCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071790	0	39	-1.0	-47.97	312.76	1.60	-46.37
CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071791	0	32	-1.0	-44.82	256.49	1.67	-43.15
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC2)CC1	REAL250005071792	0	36	-1.0	-48.72	286.69	2.91	-45.81
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC2)CC1	REAL250005071793	0	39	-1.0	-55.28	301.37	3.37	-51.91
NC(=O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071794	0	33	-1.0	-44.81	268.78	-2.10	-46.91
CC(C)(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071795	0	41	-1.0	-48.67	302.31	2.69	-45.98
CC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL250005071796	0	39	-1.0	-47.73	302.30	3.46	-44.27
C[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071797	0	39	-1.0	-55.46	308.11	3.58	-51.88
CCC(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071798	0	38	-1.0	-43.93	303.77	3.24	-40.69
O=C(CCCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071799	0	38	-1.0	-51.92	307.18	3.44	-48.48
C[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071800	0	39	-1.0	-55.90	309.18	3.64	-52.26
O=C(CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071801	0	33	-1.0	-53.59	269.56	-0.36	-53.95
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCO2)CC1	REAL250005071802	0	37	-1.0	-52.90	293.39	1.60	-51.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2COC2)CC1	REAL250005071803	0	37	-1.0	-48.79	293.73	0.93	-47.86
O=C(C=CCO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071804	0	37	-1.0	-51.78	302.69	-0.24	-52.02
CCC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071805	0	39	-1.0	-48.24	312.67	3.88	-44.36
C#CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071806	0	37	-1.0	-48.52	306.37	3.80	-44.72
C=CC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071807	0	37	-1.0	-48.16	291.48	0.51	-47.65
CC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071808	0	36	-1.0	-52.45	281.09	0.04	-52.41
CC(=O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071809	0	34	-1.0	-43.73	276.16	1.70	-42.03
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(F)CC2)CC1	REAL250005071810	0	36	-1.0	-43.34	287.54	3.07	-40.27
CC=C(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071811	0	36	-1.0	-43.16	291.72	3.02	-40.14
CC(CO)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071812	0	39	-1.0	-47.51	303.10	-0.39	-47.90
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(O)CC2)CC1	REAL250005071813	0	37	-1.0	-46.54	294.48	0.27	-46.27
O=C(C1=CCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071814	0	37	-1.0	-61.99	288.56	3.14	-58.85
CC(CF)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071815	0	38	-1.0	-46.62	296.72	2.92	-43.70
CC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071816	0	36	-1.0	-48.48	291.58	3.12	-45.36
O=C(C=CCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071817	0	36	-1.0	-50.59	297.77	3.24	-47.35
C[C@H](O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071819	0	36	-1.0	-52.55	281.04	-0.23	-52.78
CON=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071820	0	36	-1.0	-49.60	300.48	1.07	-48.53
C[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071821	0	39	-1.0	-55.46	308.11	3.58	-51.88
CC(C)(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071822	0	39	-1.0	-52.17	292.67	0.35	-51.82
C=C(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071823	0	39	-1.0	-48.62	313.61	3.73	-44.89
C=CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071824	0	36	-1.0	-49.00	292.00	3.07	-45.93
C[NH+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071825	0	41	0.0	-52.45	312.04	2.84	-49.61
CN(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071825	1	40	-1.0	-48.97	312.59	0.82	-48.15
N#CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071826	0	33	-1.0	-58.63	278.55	2.21	-56.42
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC2F)CC1	REAL250005071827	0	36	-1.0	-47.52	295.44	3.36	-44.16
O=C(CCF)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071828	0	35	-1.0	-47.87	285.68	2.67	-45.20
CO[C@H](C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071829	0	39	-1.0	-56.67	306.91	2.13	-54.54
C[C@@H](O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071830	0	36	-1.0	-55.34	284.84	-0.09	-55.43
C=C1CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071831	0	37	-1.0	-47.96	302.83	3.84	-44.12
CC1=CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071832	0	37	-1.0	-56.33	301.78	3.63	-52.70
C=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071833	0	33	-1.0	-48.83	269.86	2.24	-46.59
CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071834	0	32	-1.0	-48.16	274.59	-0.45	-48.61
COCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071835	0	36	-1.0	-48.36	308.26	-1.38	-49.74
CC1(NC(=O)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071836	0	33	-1.0	-48.34	285.08	0.40	-47.94
CC1(NC(=O)C2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071837	0	36	-1.0	-48.30	301.38	0.90	-47.40
CC1(NC(=O)C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071838	0	39	-1.0	-47.75	317.65	1.42	-46.33
CC1(NC(=O)CC2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071839	0	36	-1.0	-48.51	305.48	1.16	-47.35
CC(C)(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071840	0	35	-1.0	-49.44	301.36	0.20	-49.24
CC(F)(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071841	0	32	-1.0	-46.63	286.42	-0.26	-46.89
COCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071842	0	33	-1.0	-50.98	287.29	-1.18	-52.16
CCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071843	0	35	-1.0	-48.05	296.09	0.31	-47.74
CC1(NC(=O)C2=CC=CO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071844	0	33	-1.0	-50.12	294.21	-0.14	-50.26
CC(=O)NCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071845	0	36	-1.0	-51.39	312.95	-2.76	-54.15
CC(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071846	0	38	-1.0	-47.69	312.81	0.90	-46.79
CC1CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071847	0	36	-1.0	-47.84	301.00	1.12	-46.72
CCOCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071848	0	36	-1.0	-50.97	309.15	-0.22	-51.19
CC(C)=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071849	0	36	-1.0	-47.76	304.03	0.86	-46.90
CC1(NC(=O)C2CCCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071850	0	37	-1.0	-50.85	310.92	0.13	-50.72
CSCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071851	0	33	-1.0	-50.12	297.64	-0.02	-50.14
CSCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071852	0	36	-1.0	-48.02	319.32	0.78	-47.24
CC(C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071853	0	41	-1.0	-47.99	335.15	1.60	-46.39
CC1(NC(=O)C2=CC=CN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071854	0	34	-1.0	-50.83	297.08	-0.36	-51.19
CC1(NC(=O)C2=COC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071855	0	33	-1.0	-51.38	293.35	-0.17	-51.55
CCCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071856	0	41	-1.0	-47.95	339.08	1.87	-46.08
CC(C)(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071857	0	41	-1.0	-47.05	327.77	1.43	-45.62
CCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071858	0	38	-1.0	-48.06	317.58	1.09	-46.97
CC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071859	0	35	-1.0	-47.82	294.14	0.21	-47.61
CCC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071860	0	38	-1.0	-47.87	312.26	0.86	-47.01
CCC(CC)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071861	0	41	-1.0	-48.25	328.09	1.35	-46.90
CC1(NC(=O)C2=CC=NN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071862	0	33	-1.0	-49.74	291.79	-1.68	-51.42
CSC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071863	0	36	-1.0	-50.59	316.09	0.54	-50.05
CCOC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071864	0	39	-1.0	-50.34	328.13	0.52	-49.82
CC1(NC(=O)C2=CNN=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071865	0	33	-1.0	-51.08	292.06	-1.71	-52.79
COCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071866	0	39	-1.0	-50.26	329.76	-0.62	-50.88
CC1(NC(=O)C2=NOC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071867	0	32	-1.0	-51.66	288.65	-0.90	-52.56
CCC=C(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071868	0	39	-1.0	-48.48	323.20	1.57	-46.91
COC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071869	0	36	-1.0	-50.37	306.28	-0.43	-50.80
CC(C)OCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071870	0	39	-1.0	-50.78	329.42	0.50	-50.28
CCCOCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071871	0	39	-1.0	-50.81	330.65	0.58	-50.23
CC1(NC(=O)C2CCOC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071872	0	37	-1.0	-48.05	308.51	-1.17	-49.22
CCC(OC)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071873	0	39	-1.0	-50.22	328.08	0.39	-49.83
COC(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071874	0	39	-1.0	-48.22	327.39	0.08	-48.14
C=CCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071875	0	36	-1.0	-48.26	308.90	0.87	-47.39
CCOCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071876	0	39	-1.0	-48.31	330.11	-0.42	-48.73
COCC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071877	0	39	-1.0	-48.25	326.98	-0.67	-48.92
C=CCOCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071878	0	37	-1.0	-51.31	322.05	0.35	-50.96
CC1(NC(=O)C2=COC=N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071879	0	32	-1.0	-51.43	288.94	-3.56	-54.99
CCCC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071880	0	41	-1.0	-47.90	333.76	1.61	-46.29
CC1(NC(=O)CCC2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071881	0	39	-1.0	-47.94	327.71	1.88	-46.06
CC1(NC(=O)C2CC=CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071882	0	37	-1.0	-49.15	310.06	1.41	-47.74
CC1(NC(=O)CC2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071883	0	39	-1.0	-48.30	322.45	1.68	-46.62
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005071884	0	39	-1.0	-48.29	323.38	1.66	-46.63
CC=C(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071885	0	36	-1.0	-48.61	302.88	0.82	-47.79
CC1CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005071886	0	39	-1.0	-48.22	321.04	1.44	-46.78
CC1(NC(=O)C=C2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071887	0	37	-1.0	-48.94	313.71	1.60	-47.34
CC(C)=C(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071888	0	36	-1.0	-47.24	308.72	0.92	-46.32
CC1(NC(=O)C2=CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071889	0	37	-1.0	-48.83	311.14	1.49	-47.34
CC1(C)CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071890	0	39	-1.0	-47.91	321.67	1.62	-46.29
CC1(C)C[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071891	0	39	-1.0	-47.74	321.69	1.53	-46.21
CC1(NC(=O)[C@@H]2CCCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071892	0	37	-1.0	-51.27	310.80	-0.03	-51.30
CCC(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071893	0	41	-1.0	-47.69	331.03	1.57	-46.12
C#CCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071894	0	37	-1.0	-50.33	323.36	1.61	-48.72
CC(C)(O)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071895	0	39	-1.0	-48.64	319.04	-1.11	-49.75
CC(C)[C@@H](O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071896	0	39	-1.0	-49.54	320.29	-0.64	-50.18
CCC(C)=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071897	0	39	-1.0	-47.66	325.73	1.61	-46.05
CC(C)C#CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071898	0	37	-1.0	-49.87	323.97	1.56	-48.31
CC1(NC(=O)C#CC2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071899	0	35	-1.0	-50.29	313.65	1.74	-48.55
C=C(C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071900	0	39	-1.0	-48.13	330.51	1.54	-46.59
CC1(NC(=O)[C@H]2CCCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071901	0	37	-1.0	-50.89	310.59	0.02	-50.87
CC1(NC(=O)C2=NNN=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071902	0	32	-1.0	-49.39	287.48	-3.05	-52.44
CC1(NC(=O)C2=CN=NN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071902	1	32	-1.0	-50.31	286.55	-2.96	-53.27
CC1(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005071903	0	39	-1.0	-48.29	325.50	1.65	-46.64
CC1(NC(=O)C2=CN=CO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071904	0	32	-1.0	-50.75	288.95	-3.37	-54.12
C[C@@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071905	0	36	-1.0	-48.25	306.47	0.98	-47.27
CCC(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071906	0	35	-1.0	-50.62	302.33	0.36	-50.26
CC1(NC(=O)CCCF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071907	0	35	-1.0	-50.06	302.68	0.45	-49.61
C[C@H]1C[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071908	0	36	-1.0	-48.28	306.45	1.00	-47.28
CC(C)C(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071909	0	38	-1.0	-50.09	316.84	0.95	-49.14
C=CCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071910	0	39	-1.0	-48.22	330.40	1.65	-46.57
CC1(NC(=O)C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071911	0	30	-1.0	-49.69	269.92	-5.11	-54.80
CC1CC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071912	0	39	-1.0	-48.15	326.86	1.76	-46.39
CC(C)C(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071913	0	41	-1.0	-47.48	328.16	1.41	-46.07
CC[C@@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071914	0	39	-1.0	-48.21	327.86	1.77	-46.44
CC1(NC(=O)C2CC23CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071915	0	37	-1.0	-48.99	317.53	1.87	-47.12
CC1(NC(=O)[C@@H]2CC(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071916	0	34	-1.0	-55.62	299.44	-3.93	-59.55
CC1(NC(=O)[C@H]2CC(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071917	0	34	-1.0	-55.33	299.54	-3.76	-59.09
CC1(NC(=O)C2CSC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071918	0	34	-1.0	-48.44	301.16	0.48	-47.96
C=CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071919	0	33	-1.0	-48.44	287.49	0.10	-48.34
C[NH+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071920	0	38	0.0	-65.48	310.17	0.26	-65.22
CN(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071920	1	37	-1.0	-48.74	308.09	-2.13	-50.87
C=CC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071921	0	34	-1.0	-48.33	298.55	-2.14	-50.47
CC1(NC(=O)C2COC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071922	0	34	-1.0	-48.42	291.91	-1.95	-50.37
CO[C@H](C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071923	0	36	-1.0	-50.53	307.07	-0.47	-51.00
CC=CC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071924	0	37	-1.0	-48.46	320.26	-1.28	-49.74
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071925	0	41	0.0	-65.42	328.24	0.66	-64.76
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005071925	1	40	-1.0	-48.26	320.51	-1.70	-49.96
CCC=C(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071926	0	36	-1.0	-47.51	313.42	0.95	-46.56
CCC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071927	0	36	-1.0	-48.40	309.24	0.90	-47.50
CC1(NC(=O)CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071929	0	30	-1.0	-52.28	265.04	-3.47	-55.75
CC1(NC(=O)C=CC(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071930	0	34	-1.0	-52.18	304.54	-3.82	-56.00
CC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071931	0	33	-1.0	-49.73	285.37	-2.68	-52.41
CC1(NC(=O)C(O)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071932	0	37	-1.0	-47.71	313.64	-0.89	-48.60
C=CCC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071933	0	39	-1.0	-48.07	325.54	1.40	-46.67
CC1(NC(=O)C2CC2F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071934	0	33	-1.0	-47.59	291.88	0.50	-47.09
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071935	0	41	0.0	-65.42	328.24	0.66	-64.76
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005071935	1	40	-1.0	-48.26	320.51	-1.70	-49.96
CC1(NC(=O)CCF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071936	0	32	-1.0	-47.75	281.18	-0.32	-48.07
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005071937	0	37	-1.0	-49.36	317.33	1.87	-47.49
CCC1CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071938	0	39	-1.0	-47.79	322.43	1.77	-46.02
CC1(NC(=O)CC2(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071939	0	37	-1.0	-51.10	317.57	-1.91	-53.01
CC1(NC(=O)C=CCF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071940	0	33	-1.0	-50.52	294.33	0.26	-50.26
C#CCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071941	0	34	-1.0	-48.57	301.87	0.83	-47.74
CC1(NC(=O)CN2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071942	0	38	-1.0	-48.76	315.92	-2.52	-51.28
CC1(NC(=O)C[NH+]2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071942	1	39	0.0	-65.15	320.43	0.75	-64.40
C#C[C@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071943	0	35	-1.0	-50.76	307.86	1.54	-49.22
CC1(NC(=O)C2C3CCC32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071944	0	37	-1.0	-48.48	312.47	1.67	-46.81
C=C1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071945	0	37	-1.0	-49.40	315.05	1.40	-48.00
C[C@H]1C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005071946	0	39	-1.0	-48.66	323.60	1.62	-47.04
C[C@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071947	0	41	0.0	-61.82	328.30	0.76	-61.06
C[C@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005071947	1	40	-1.0	-49.08	321.89	-1.71	-50.79
CC=CC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071948	0	37	-1.0	-48.56	323.32	1.59	-46.97
COCC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071949	0	37	-1.0	-50.53	321.51	-0.82	-51.35
CC1(NC(=O)C2CCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071950	0	34	-1.0	-52.77	293.27	-0.82	-53.59
CC1(NC(=O)CCN=[N+]=[N-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071951	0	34	-1.0	-48.06	304.72	-3.84	-51.90
C#CCOCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071952	0	35	-1.0	-53.46	314.93	0.31	-53.15
CC1=CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071953	0	34	-1.0	-49.58	300.07	1.11	-48.47
CN(C)C(=O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071954	0	36	-1.0	-49.63	307.06	-1.62	-51.25
CSC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071955	0	34	-1.0	-48.47	310.20	0.46	-48.01
CC[N@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071956	0	41	0.0	-64.48	327.91	0.94	-63.54
CC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071956	1	41	0.0	-65.14	327.87	1.01	-64.13
CCN(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071956	1	40	-1.0	-48.66	326.05	-1.33	-49.99
C=C1CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005071957	0	37	-1.0	-47.84	314.87	1.34	-46.50
CC1(NC(=O)C2CCC2F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071958	0	36	-1.0	-50.92	305.99	1.01	-49.91
CC1(NC(=O)C2=CN=CN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071959	0	33	-1.0	-52.04	291.90	-0.61	-52.65
CC1(NC(=O)C2=CCCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071960	0	35	-1.0	-49.49	302.65	-0.57	-50.06
CCC[C@H](O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071961	0	39	-1.0	-48.08	327.34	-1.00	-49.08
CC(C)[C@H](O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071962	0	39	-1.0	-49.02	321.67	-1.16	-50.18
CCOC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071963	0	37	-1.0	-49.05	321.22	-0.22	-49.27
C[C@@H](O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071964	0	33	-1.0	-49.82	285.36	-2.68	-52.50
CC1(NC(=O)CCCCF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071965	0	38	-1.0	-48.59	324.17	1.23	-47.36
CC1(NC(=O)C=CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071966	0	34	-1.0	-51.76	299.25	-3.22	-54.98
CC1(NC(=O)CCCCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071967	0	39	-1.0	-49.61	329.00	-2.25	-51.86
COC(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071968	0	33	-1.0	-50.98	293.21	-1.68	-52.66
CC1(NC(=O)C23CC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071969	0	37	-1.0	-48.71	313.52	1.53	-47.18
C=C[C@H](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071970	0	39	-1.0	-47.50	325.54	1.50	-46.00
CC1(NC(=O)C=CC2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071971	0	37	-1.0	-48.47	320.07	1.80	-46.67
CC=C(CC)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071972	0	39	-1.0	-48.26	323.92	1.53	-46.73
CC1(NC(=O)C2=CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071973	0	34	-1.0	-49.39	295.61	0.87	-48.52
CON=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071974	0	33	-1.0	-51.06	297.04	-1.89	-52.95
CC1(NC(=O)COCCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071975	0	37	-1.0	-53.54	320.52	-3.35	-56.89
CC1(NC(=O)C2=NOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071976	0	34	-1.0	-49.72	298.59	-1.53	-51.25
COCC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071977	0	37	-1.0	-47.99	318.70	-3.37	-51.36
CC1(NC(=O)COC2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071978	0	37	-1.0	-51.71	319.49	0.55	-51.16
CC1(NC(=O)C2=NC=CN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071979	0	33	-1.0	-51.86	293.00	-1.34	-53.20
CCCC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071980	0	39	-1.0	-48.20	330.74	1.68	-46.52
CC=C(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071981	0	33	-1.0	-47.63	293.12	0.21	-47.42
CCC(CO)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071982	0	39	-1.0	-49.41	322.07	-2.33	-51.74
CC(CO)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071983	0	36	-1.0	-48.82	304.72	-3.08	-51.90
CC1(NC(=O)C2=CON=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071984	0	32	-1.0	-50.97	288.01	-0.70	-51.67
CC1(NC(=O)[C@@H]2C[C@H]2CF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071985	0	36	-1.0	-51.79	313.14	1.12	-50.67
CC1(NC(=O)C2=COCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071986	0	35	-1.0	-48.98	301.26	-0.61	-49.59
C[C@H](O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071987	0	33	-1.0	-51.80	284.92	-2.66	-54.46
CC1(NC(=O)C2C=CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071988	0	37	-1.0	-48.62	310.35	1.42	-47.20
CC(O)C(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071989	0	39	-1.0	-48.20	320.98	-2.33	-50.53
C=C1CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071990	0	34	-1.0	-48.58	298.68	0.89	-47.69
CC(CF)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071991	0	35	-1.0	-47.47	300.12	0.35	-47.12
C=C(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071992	0	36	-1.0	-48.09	308.84	0.74	-47.35
CCSCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071993	0	36	-1.0	-50.03	319.10	0.88	-49.15
CC(C)=C(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071994	0	39	-1.0	-47.98	318.95	1.55	-46.43
CCCC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071995	0	39	-1.0	-47.87	327.34	-1.08	-48.95
CCC(O)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071996	0	39	-1.0	-50.38	326.74	-1.37	-51.75
CC(Cl)=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071997	0	33	-1.0	-49.26	300.43	0.66	-48.60
CC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071998	0	33	-1.0	-48.42	288.15	0.14	-48.28
CC1(NC(=O)[C@H]2C[C@@H](O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071999	0	37	-1.0	-51.19	312.85	-2.52	-53.71
C[C@@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072000	0	36	-1.0	-48.25	306.47	0.98	-47.27
CNC(=O)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072001	0	36	-1.0	-57.88	310.66	-1.52	-59.40
C=CC=CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072002	0	37	-1.0	-48.86	322.74	1.52	-47.34
CC1(NC(=O)CCC(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072003	0	36	-1.0	-51.75	312.27	-3.62	-55.37
CC(O)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072004	0	39	-1.0	-48.39	327.89	-2.19	-50.58
C#CCC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072005	0	37	-1.0	-48.30	319.74	1.39	-46.91
CC(CCO)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072006	0	39	-1.0	-50.99	323.68	-2.51	-53.50
CC1(NC(=O)[C@H](O)CF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072007	0	33	-1.0	-51.45	291.64	-2.44	-53.89
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC2)C1	REAL250005072008	0	36	-1.0	-46.64	307.52	1.28	-45.36
CC(C)(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072009	0	35	-1.0	-47.96	299.79	0.21	-47.75
CC(F)(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072010	0	32	-1.0	-46.71	287.28	-0.22	-46.93
COCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072011	0	33	-1.0	-49.59	289.53	-0.86	-50.45
CCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072012	0	35	-1.0	-46.44	298.31	0.50	-45.94
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CO2)C1	REAL250005072013	0	33	-1.0	-48.85	294.12	-0.10	-48.95
CC(=O)NCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072014	0	36	-1.0	-49.99	315.18	-2.58	-52.57
CC(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072015	0	38	-1.0	-45.99	315.03	1.10	-44.89
CC1CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072016	0	36	-1.0	-46.09	303.02	1.23	-44.86
CCOCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072017	0	36	-1.0	-49.57	311.38	0.10	-49.47
CC(C)=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072018	0	36	-1.0	-46.34	306.27	1.02	-45.32
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCO2)C1	REAL250005072019	0	37	-1.0	-50.97	312.01	0.22	-50.75
CSCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072020	0	33	-1.0	-48.59	299.87	0.17	-48.42
CSCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072021	0	36	-1.0	-46.55	321.54	0.98	-45.57
CC(C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072022	0	41	-1.0	-46.39	337.06	1.73	-44.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CN2)C1	REAL250005072023	0	34	-1.0	-49.17	294.77	-0.19	-49.36
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC=C2)C1	REAL250005072024	0	33	-1.0	-49.91	290.67	-0.28	-50.19
CCCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072025	0	41	-1.0	-46.46	340.99	1.99	-44.47
CC(C)(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072026	0	41	-1.0	-45.27	330.00	1.61	-43.66
CCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072027	0	38	-1.0	-46.38	319.81	1.28	-45.10
CC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072028	0	35	-1.0	-46.47	293.74	0.18	-46.29
CCC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072029	0	38	-1.0	-45.94	315.86	0.94	-45.00
CCC(CC)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072030	0	41	-1.0	-45.85	334.46	1.56	-44.29
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNC=C2)C1	REAL250005072031	0	33	-1.0	-51.07	292.67	-1.47	-52.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NN2)C1	REAL250005072031	1	33	-1.0	-48.37	289.43	-1.53	-49.90
CSC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072032	0	36	-1.0	-49.24	317.96	0.72	-48.52
CCOC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072033	0	39	-1.0	-49.32	328.69	0.64	-48.68
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CNN=C2)C1	REAL250005072034	0	33	-1.0	-49.66	289.22	-1.86	-51.52
COCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072035	0	39	-1.0	-48.68	331.67	-0.50	-49.18
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NOC=C2)C1	REAL250005072036	0	32	-1.0	-50.23	288.62	-0.68	-50.91
CCC=C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072037	0	39	-1.0	-47.16	320.02	1.23	-45.93
COC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072038	0	36	-1.0	-49.34	306.84	-0.31	-49.65
CC(C)OCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072039	0	39	-1.0	-49.39	331.66	0.84	-48.55
CCCOCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072040	0	39	-1.0	-49.40	332.88	0.90	-48.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCOC2)C1	REAL250005072041	0	37	-1.0	-47.03	309.66	-0.97	-48.00
CCC(OC)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072042	0	39	-1.0	-48.86	323.49	0.35	-48.51
COC(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072043	0	39	-1.0	-48.73	329.62	0.35	-48.38
C=CCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072044	0	36	-1.0	-46.14	311.12	1.07	-45.07
CCOCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072045	0	39	-1.0	-46.85	332.34	-0.22	-47.07
COCC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072046	0	39	-1.0	-46.24	330.27	-0.57	-46.81
C=CCOCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072047	0	37	-1.0	-49.66	324.29	0.68	-48.98
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC=N2)C1	REAL250005072048	0	32	-1.0	-49.59	288.76	-3.04	-52.63
CC(C#N)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072049	0	33	-1.0	-51.92	293.17	-0.20	-52.12
CCCC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072050	0	41	-1.0	-45.79	337.36	1.70	-44.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2CC2)C1	REAL250005072051	0	39	-1.0	-46.40	329.58	1.99	-44.41
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC=CC2)C1	REAL250005072052	0	37	-1.0	-46.50	310.53	1.43	-45.07
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCC2)C1	REAL250005072053	0	39	-1.0	-46.49	324.60	1.81	-44.68
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005072054	0	39	-1.0	-52.15	326.31	1.74	-50.41
CC=C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072055	0	36	-1.0	-52.77	300.39	0.60	-52.17
CC1CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005072056	0	39	-1.0	-46.31	323.10	1.61	-44.70
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2CCC2)C1	REAL250005072057	0	37	-1.0	-47.12	315.51	1.73	-45.39
CC(C)=C(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072058	0	36	-1.0	-46.44	308.57	0.95	-45.49
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CCCC2)C1	REAL250005072059	0	37	-1.0	-47.05	308.14	1.31	-45.74
CC1(C)CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072060	0	39	-1.0	-46.16	323.70	1.73	-44.43
CC1(C)C[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072061	0	39	-1.0	-46.17	323.71	1.74	-44.43
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCCO2)C1	REAL250005072062	0	37	-1.0	-50.99	312.14	0.24	-50.75
CCC(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072063	0	41	-1.0	-45.95	333.26	1.76	-44.19
C#CCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072064	0	37	-1.0	-48.77	325.27	1.73	-47.04
CC(C)(O)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072065	0	39	-1.0	-48.45	323.79	-1.14	-49.59
CC(C)[C@@H](O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072066	0	39	-1.0	-47.28	318.42	-1.00	-48.28
CCC(C)=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072067	0	39	-1.0	-46.05	327.74	1.80	-44.25
CC(C)C#CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072068	0	37	-1.0	-49.18	326.18	1.76	-47.42
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C#CC2CC2)C1	REAL250005072069	0	35	-1.0	-49.40	315.85	1.93	-47.47
CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072070	0	32	-1.0	-46.59	276.81	-0.26	-46.85
COCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072071	0	36	-1.0	-46.86	310.48	-1.19	-48.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC2)C1	REAL250005072072	0	33	-1.0	-46.96	286.99	0.43	-46.53
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC2)C1	REAL250005072073	0	36	-1.0	-46.48	303.28	1.01	-45.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC2)C1	REAL250005072074	0	39	-1.0	-46.52	316.51	1.47	-45.05
C=CCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072075	0	39	-1.0	-46.78	332.30	1.78	-45.00
CCC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072076	0	41	-1.0	-46.27	322.64	1.00	-45.27
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(N)=O)C1	REAL250005072077	0	30	-1.0	-48.46	269.95	-5.01	-53.47
CC1CC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072078	0	39	-1.0	-46.73	329.12	1.95	-44.78
CCC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005072079	0	39	-1.0	-46.66	330.05	1.67	-44.99
CC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072080	0	38	-1.0	-46.13	307.98	0.52	-45.61
C=C(C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072081	0	39	-1.0	-46.07	332.73	1.73	-44.34
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(CF)CC2)C1	REAL250005072082	0	36	-1.0	-47.49	305.97	0.77	-46.72
CC(C)C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072083	0	41	-1.0	-45.92	333.58	1.41	-44.51
CC[C@@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072084	0	39	-1.0	-46.79	330.10	1.95	-44.84
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC23CC3)C1	REAL250005072085	0	37	-1.0	-47.30	319.77	1.97	-45.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CCCO2)C1	REAL250005072086	0	37	-1.0	-50.88	312.34	0.32	-50.56
CC1(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005072087	0	39	-1.0	-46.17	327.52	1.77	-44.40
CC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005072088	0	36	-1.0	-46.99	301.26	0.69	-46.30
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CNC=C2)C1	REAL250005072089	0	34	-1.0	-51.66	294.50	-0.43	-52.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CO2)C1	REAL250005072090	0	32	-1.0	-49.08	288.93	-3.31	-52.39
C=CC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072091	0	39	-1.0	-46.29	317.53	0.97	-45.32
C[C@@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072092	0	36	-1.0	-46.61	308.48	1.17	-45.44
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)CCC2)C1	REAL250005072093	0	39	-1.0	-46.99	317.93	1.17	-45.82
CCC(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072094	0	35	-1.0	-45.85	303.48	0.48	-45.37
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCF)C1	REAL250005072095	0	35	-1.0	-48.37	304.90	0.64	-47.73
C[C@H]1C[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072096	0	36	-1.0	-46.72	308.49	1.18	-45.54
CC(C)C(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072097	0	38	-1.0	-46.32	322.89	0.98	-45.34
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNN=C2)C1	REAL250005072098	0	32	-1.0	-47.77	287.43	-2.89	-50.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CO)C1	REAL250005072099	0	30	-1.0	-51.00	266.97	-3.22	-54.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC(N)=O)C1	REAL250005072100	0	34	-1.0	-51.03	306.54	-3.63	-54.66
COC(=O)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072101	0	35	-1.0	-53.00	308.75	0.75	-52.25
CSC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072102	0	34	-1.0	-47.26	312.03	0.63	-46.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC(N)=O)C1	REAL250005072103	0	36	-1.0	-50.31	314.49	-3.43	-53.74
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCO2)C1	REAL250005072104	0	34	-1.0	-50.24	294.20	-0.64	-50.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(Cl)CC2)C1	REAL250005072105	0	33	-1.0	-46.78	297.55	0.76	-46.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CCCO2)C1	REAL250005072106	0	35	-1.0	-47.43	302.35	-0.36	-47.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2COC2)C1	REAL250005072107	0	34	-1.0	-47.17	294.12	-1.76	-48.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CCO)C1	REAL250005072108	0	34	-1.0	-49.42	301.24	-3.03	-52.45
CC=CC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072109	0	37	-1.0	-46.71	318.55	-1.13	-47.84
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005072110	0	41	0.0	-62.39	330.29	0.83	-61.56
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005072110	1	40	-1.0	-46.76	328.19	-1.45	-48.21
CCC=C(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072111	0	36	-1.0	-46.13	313.31	1.00	-45.13
CCC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072112	0	36	-1.0	-46.79	311.23	1.09	-45.70
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN=[N+]=[N-])C1	REAL250005072113	0	34	-1.0	-45.62	306.95	-3.65	-49.27
C#CCOCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072114	0	35	-1.0	-52.02	317.17	0.64	-51.38
CC(O)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072115	0	39	-1.0	-47.22	330.15	-2.00	-49.22
C#CCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072116	0	34	-1.0	-46.96	304.09	1.02	-45.94
CC=CC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072117	0	37	-1.0	-47.27	325.29	1.77	-45.50
COCC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072118	0	37	-1.0	-48.15	323.49	-0.63	-48.78
CCC(C)(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072119	0	39	-1.0	-46.66	322.50	-2.17	-48.83
C#CCC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072120	0	37	-1.0	-46.26	323.05	1.48	-44.78
C=CC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072121	0	34	-1.0	-46.76	296.84	-1.97	-48.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC2CC3)C1	REAL250005072122	0	37	-1.0	-47.21	314.47	1.63	-45.58
C=C[C@H](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072123	0	39	-1.0	-46.26	327.48	1.55	-44.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2CC2)C1	REAL250005072124	0	37	-1.0	-46.98	322.11	1.91	-45.07
CCC(C#N)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072125	0	36	-1.0	-45.44	315.22	0.50	-44.94
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C3CCC32)C1	REAL250005072126	0	37	-1.0	-46.58	309.80	1.81	-44.77
C=C1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072127	0	37	-1.0	-46.92	314.69	1.43	-45.49
C[C@H]1C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005072128	0	39	-1.0	-46.89	325.47	1.66	-45.23
CC[N@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072129	0	41	0.0	-61.92	329.90	1.12	-60.80
CC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072129	1	41	0.0	-61.91	330.13	1.12	-60.79
CCN(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072129	1	40	-1.0	-47.06	328.28	-1.17	-48.23
CC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072130	0	33	-1.0	-48.25	285.13	-2.53	-50.78
CC(=O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072131	0	31	-1.0	-46.97	277.36	-1.21	-48.18
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC#N)C1	REAL250005072132	0	36	-1.0	-53.06	318.85	0.95	-52.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C#N)CC2)C1	REAL250005072133	0	34	-1.0	-46.06	304.18	0.45	-45.61
C=C1CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005072134	0	37	-1.0	-46.32	317.09	1.53	-44.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(F)CC2)C1	REAL250005072135	0	33	-1.0	-47.42	290.50	0.44	-46.98
COC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072136	0	39	-1.0	-45.63	320.28	-0.76	-46.39
CC(CC#N)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072137	0	36	-1.0	-48.65	316.76	0.61	-48.04
CCC1CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072138	0	39	-1.0	-46.06	324.42	1.96	-44.10
C=CC(C)(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072139	0	37	-1.0	-47.12	315.86	-2.11	-49.23
CCCC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072140	0	39	-1.0	-46.59	332.73	1.87	-44.72
CC=C(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072141	0	33	-1.0	-46.40	293.00	0.26	-46.14
C[C@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005072142	0	41	0.0	-59.71	329.63	0.84	-58.87
C[C@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005072142	1	40	-1.0	-47.28	322.21	-1.66	-48.94
CCOC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072143	0	37	-1.0	-47.87	323.07	-0.07	-47.94
CC(=O)OCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072144	0	35	-1.0	-50.81	312.88	0.73	-50.08
CC(=O)C=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072145	0	35	-1.0	-49.31	313.54	0.22	-49.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2CC2)C1	REAL250005072146	0	37	-1.0	-50.19	321.75	0.88	-49.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CN2)C1	REAL250005072147	0	33	-1.0	-50.39	292.85	-1.06	-51.45
CC(CO)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072148	0	36	-1.0	-46.99	308.01	-2.97	-49.96
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CON=C2)C1	REAL250005072149	0	32	-1.0	-48.23	285.43	-0.85	-49.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCCO)C1	REAL250005072150	0	39	-1.0	-48.14	330.91	-2.12	-50.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C2CC2)C1	REAL250005072151	0	35	-1.0	-47.08	307.72	0.38	-46.70
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2(O)CC2)C1	REAL250005072152	0	37	-1.0	-49.15	318.52	-2.24	-51.39
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC2F)C1	REAL250005072153	0	36	-1.0	-47.29	309.79	1.04	-46.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2C[C@H]2CF)C1	REAL250005072154	0	36	-1.0	-47.58	315.05	1.24	-46.34
CCC(CO)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072155	0	39	-1.0	-47.23	320.50	-2.08	-49.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2C[C@@H]2C#N)C1	REAL250005072156	0	34	-1.0	-54.81	303.96	0.73	-54.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COCC2)C1	REAL250005072157	0	35	-1.0	-47.54	298.38	-0.75	-48.29
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(O)CC2)C1	REAL250005072158	0	34	-1.0	-46.82	299.15	-2.98	-49.80
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CCC2)C1	REAL250005072159	0	34	-1.0	-47.91	294.04	0.85	-47.06
CC(CF)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072160	0	35	-1.0	-45.42	303.41	0.43	-44.99
CC(Cl)=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072161	0	33	-1.0	-47.54	302.41	0.84	-46.70
CC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072162	0	33	-1.0	-47.08	290.14	0.33	-46.75
CC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005072163	0	36	-1.0	-50.98	307.24	0.77	-50.21
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CCF)C1	REAL250005072164	0	33	-1.0	-47.74	296.32	0.45	-47.29
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(CO)CC2)C1	REAL250005072165	0	37	-1.0	-50.04	317.65	-2.47	-52.51
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NO2)C1	REAL250005072166	0	32	-1.0	-48.35	288.69	-0.64	-48.99
C[C@H](O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072168	0	33	-1.0	-46.57	282.81	-2.56	-49.13
CON=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072169	0	33	-1.0	-49.91	298.84	-1.78	-51.69
CC(C)[C@H](O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072170	0	39	-1.0	-45.33	315.93	-0.45	-45.78
C#CC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005072171	0	35	-1.0	-46.66	307.43	1.28	-45.38
C=CC=CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072172	0	37	-1.0	-46.87	324.97	1.71	-45.16
C#C[C@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072173	0	35	-1.0	-48.79	310.19	1.67	-47.12
CC=C(CC)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072174	0	39	-1.0	-46.25	315.52	1.29	-44.96
COC(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072175	0	33	-1.0	-50.17	294.56	-1.48	-51.65
COCC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072176	0	37	-1.0	-49.78	318.58	-3.24	-53.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2C[C@H]2C#N)C1	REAL250005072177	0	34	-1.0	-50.49	307.99	0.84	-49.65
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005072178	0	37	-1.0	-49.93	314.95	-2.39	-52.32
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COCCO)C1	REAL250005072179	0	37	-1.0	-53.58	322.76	-3.03	-56.61
CC(C)(CF)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072180	0	38	-1.0	-45.45	313.05	0.60	-44.85
CC(C)(CO)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072181	0	39	-1.0	-46.90	317.41	-2.70	-49.60
C=CCC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072182	0	39	-1.0	-45.72	329.12	1.49	-44.23
C[C@@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072183	0	36	-1.0	-46.61	308.48	1.17	-45.44
CC(C)(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072184	0	36	-1.0	-46.77	305.68	-2.85	-49.62
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NOCC2)C1	REAL250005072185	0	34	-1.0	-48.52	298.49	-1.38	-49.90
CC(C#N)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072186	0	36	-1.0	-47.76	314.35	0.78	-46.98
CC(CCO)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072187	0	39	-1.0	-48.53	327.28	-2.40	-50.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](O)CF)C1	REAL250005072188	0	33	-1.0	-47.16	289.40	-2.47	-49.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(O)CCC2)C1	REAL250005072189	0	37	-1.0	-45.38	308.03	-2.04	-47.42
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(O)C2CC2)C1	REAL250005072190	0	37	-1.0	-46.13	311.68	-0.74	-46.87
C=C(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072191	0	36	-1.0	-46.68	311.07	0.92	-45.76
CC(C)(C#N)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072192	0	36	-1.0	-52.50	310.49	0.13	-52.37
CCSCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072193	0	36	-1.0	-48.46	321.34	1.06	-47.40
CC(C)=C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072194	0	39	-1.0	-47.58	326.57	1.74	-45.84
CNC(=O)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072195	0	36	-1.0	-56.33	312.90	-1.19	-57.52
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC(F)C2)C1	REAL250005072196	0	36	-1.0	-45.52	309.90	1.11	-44.41
C=CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072197	0	33	-1.0	-46.51	289.72	0.28	-46.23
C[NH+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072198	0	38	0.0	-62.96	312.39	0.45	-62.51
CN(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072198	1	37	-1.0	-46.96	310.31	-1.95	-48.91
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC#N)C1	REAL250005072199	0	30	-1.0	-53.50	275.96	-0.64	-54.14
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC2F)C1	REAL250005072200	0	33	-1.0	-45.44	293.90	0.60	-44.84
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005072201	0	41	0.0	-62.39	330.29	0.83	-61.56
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005072201	1	40	-1.0	-46.76	328.19	-1.45	-48.21
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCF)C1	REAL250005072202	0	32	-1.0	-46.08	283.40	-0.11	-46.19
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C=CCC2)C1	REAL250005072203	0	37	-1.0	-46.51	308.67	1.38	-45.13
C#CC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072204	0	37	-1.0	-46.33	316.56	1.04	-45.29
CO[C@H](C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072205	0	36	-1.0	-49.30	306.61	-0.33	-49.63
CC(=O)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072206	0	37	-1.0	-48.79	321.51	0.42	-48.37
C[C@@H](O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072207	0	33	-1.0	-48.17	284.90	-2.54	-50.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CCC2)C1	REAL250005072208	0	38	-1.0	-47.24	317.95	-2.35	-49.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC2)C1	REAL250005072208	1	39	0.0	-62.21	322.27	0.87	-61.34
CC(O)C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072209	0	39	-1.0	-48.76	321.23	-1.39	-50.15
C=C1CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072210	0	34	-1.0	-47.17	300.66	1.09	-46.08
COC(OC)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072211	0	37	-1.0	-51.17	311.62	-1.21	-52.38
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)COC2)C1	REAL250005072212	0	37	-1.0	-47.19	310.07	-1.44	-48.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC(=O)N2)C1	REAL250005072213	0	34	-1.0	-52.21	301.53	-3.58	-55.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CC(=O)N2)C1	REAL250005072214	0	34	-1.0	-52.19	301.47	-3.56	-55.75
CCC[C@H](O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072215	0	39	-1.0	-46.33	325.02	-0.97	-47.30
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(F)CCC2)C1	REAL250005072216	0	36	-1.0	-44.80	308.95	0.99	-43.81
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CNC=N2)C1	REAL250005072217	0	33	-1.0	-51.90	292.62	-0.25	-52.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CN2)C1	REAL250005072217	1	33	-1.0	-50.21	289.59	-0.43	-50.64
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC(=O)C2)C1	REAL250005072218	0	35	-1.0	-51.61	305.46	0.02	-51.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(O)COC2)C1	REAL250005072219	0	35	-1.0	-46.28	301.88	-4.49	-50.77
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005072220	0	37	-1.0	-47.64	323.40	1.85	-45.79
CC1=CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072221	0	34	-1.0	-47.54	302.09	1.23	-46.31
CN(C)C(=O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072222	0	36	-1.0	-48.99	306.65	-1.50	-50.49
CCCC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072223	0	39	-1.0	-47.74	327.22	-0.95	-48.69
CCC(O)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072224	0	39	-1.0	-48.78	328.98	-1.10	-49.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCCF)C1	REAL250005072225	0	38	-1.0	-47.06	326.09	1.35	-45.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CC(=O)N2)C1	REAL250005072226	0	34	-1.0	-52.41	301.44	-3.64	-56.05
COC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005072227	0	37	-1.0	-45.62	316.95	-0.54	-46.16
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CSC2)C1	REAL250005072228	0	34	-1.0	-46.59	303.42	0.65	-45.94
C=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072229	0	30	-1.0	-47.11	268.42	-0.55	-47.66
CC1(NC(=O)C2CC(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072230	0	34	-1.0	-56.03	299.74	-3.68	-59.71
CC1(NC(=O)C2CC(F)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072231	0	36	-1.0	-47.14	307.87	0.99	-46.15
CC1(NC(=O)C2=CC=NO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072232	0	32	-1.0	-49.40	288.69	-0.72	-50.12
CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072233	0	38	-1.0	-48.00	301.30	2.50	-45.50
CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072234	0	35	-1.0	-48.16	278.64	1.62	-46.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC2)CC1	REAL250005072235	0	39	-1.0	-47.62	310.81	3.21	-44.41
COCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072236	0	39	-1.0	-50.58	314.06	1.88	-48.70
CCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072237	0	41	-1.0	-47.75	322.81	3.27	-44.48
CC(C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072238	0	41	-1.0	-47.50	320.33	2.99	-44.51
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(N)=O)CC1	REAL250005072239	0	36	-1.0	-45.97	293.75	-2.34	-48.31
C=CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072240	0	39	-1.0	-48.03	314.25	3.03	-45.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)CC1	REAL250005072241	0	36	-1.0	-52.57	291.85	-0.41	-52.98
CC(O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072242	0	39	-1.0	-48.38	308.50	0.14	-48.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCF)CC1	REAL250005072243	0	38	-1.0	-47.18	307.90	2.64	-44.54
C[C@@H](O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072244	0	39	-1.0	-48.42	307.20	0.11	-48.31
C[C@H](O)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072245	0	39	-1.0	-48.33	308.13	0.14	-48.19
CC=CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072246	0	39	-1.0	-47.86	313.69	3.06	-44.80
COCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072247	0	39	-1.0	-49.65	313.35	1.78	-47.87
CCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072248	0	41	-1.0	-46.62	322.12	3.18	-43.44
CC(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072249	0	41	-1.0	-47.75	315.58	2.62	-45.13
CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072250	0	38	-1.0	-46.79	300.62	2.41	-44.38
CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072251	0	35	-1.0	-46.77	278.65	1.44	-45.33
CN(C(=O)C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072252	0	39	-1.0	-46.62	311.03	3.14	-43.48
CN(C(=O)C(N)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072253	0	36	-1.0	-49.99	291.31	-2.17	-52.16
CN(C(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072254	0	36	-1.0	-51.28	291.09	-0.50	-51.78
CC(O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072255	0	39	-1.0	-47.65	306.31	0.05	-47.60
CC(=O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072256	0	37	-1.0	-44.66	301.18	1.51	-43.15
CC=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072257	0	39	-1.0	-46.88	313.37	3.01	-43.87
C[C@H](O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072258	0	39	-1.0	-48.69	307.33	0.04	-48.65
C=CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072259	0	39	-1.0	-46.80	313.54	2.95	-43.85
CN(C(=O)CC#N)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072260	0	36	-1.0	-55.07	300.09	2.09	-52.98
CN(C(=O)CCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072261	0	38	-1.0	-45.99	307.22	2.55	-43.44
C[C@@H](O)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072262	0	39	-1.0	-50.87	306.66	0.01	-50.86
C=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072263	0	36	-1.0	-54.01	289.16	2.19	-51.82
CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072264	0	41	-1.0	-47.13	311.29	2.93	-44.20
CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072265	0	38	-1.0	-47.35	290.98	2.12	-45.23
CC(C)(NC(=O)CO)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072266	0	39	-1.0	-50.69	301.76	-0.13	-50.82
CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005072267	0	41	-1.0	-54.43	314.20	3.00	-51.43
CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005072268	0	38	-1.0	-53.79	292.17	2.20	-51.59
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CO	REAL250005072269	0	39	-1.0	-59.68	304.41	0.04	-59.64
C=CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005072270	0	39	-1.0	-54.21	305.08	2.78	-51.43
CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072271	0	38	-1.0	-47.10	303.65	2.67	-44.43
CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072272	0	35	-1.0	-46.97	282.83	1.84	-45.13
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005072273	0	39	-1.0	-46.76	314.16	3.42	-43.34
COCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072274	0	39	-1.0	-49.52	316.37	1.98	-47.54
CCCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072275	0	41	-1.0	-46.83	325.15	3.43	-43.40
CC(C)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072276	0	41	-1.0	-46.14	320.01	3.11	-43.03
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005072277	0	36	-1.0	-45.02	296.72	-1.94	-46.96
C=CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072278	0	39	-1.0	-47.06	316.56	3.22	-43.84
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005072279	0	36	-1.0	-51.22	294.13	-0.30	-51.52
CC(O)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072280	0	39	-1.0	-47.35	309.94	0.23	-47.12
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005072281	0	38	-1.0	-46.13	310.25	2.81	-43.32
C[C@@H](O)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072282	0	39	-1.0	-58.31	311.16	0.25	-58.06
C[C@H](O)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072283	0	39	-1.0	-46.95	310.34	0.20	-46.75
CC=CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072284	0	39	-1.0	-47.05	317.63	3.24	-43.81
COCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072285	0	39	-1.0	-49.08	317.75	2.05	-47.03
CCCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072286	0	41	-1.0	-46.02	326.39	3.44	-42.58
CC(C)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072287	0	41	-1.0	-45.93	321.84	3.16	-42.77
CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072288	0	38	-1.0	-46.36	305.03	2.71	-43.65
CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072289	0	35	-1.0	-57.15	282.25	1.69	-55.46
CN(CC1CCCN1C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005072290	0	39	-1.0	-57.09	314.62	3.31	-53.78
CN(CC1CCCN1C(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005072291	0	36	-1.0	-44.43	297.29	-1.98	-46.41
CN(CC1CCCN1C(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005072292	0	36	-1.0	-50.77	295.50	-0.24	-51.01
CC(O)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072293	0	39	-1.0	-46.84	311.84	0.33	-46.51
CC(=O)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072294	0	37	-1.0	-43.72	305.14	1.83	-41.89
CC=CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072295	0	39	-1.0	-46.22	317.82	3.27	-42.95
C[C@H](O)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072296	0	39	-1.0	-46.52	311.46	0.31	-46.21
C=CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072297	0	39	-1.0	-46.40	317.93	3.25	-43.15
CN(CC1CCCN1C(=O)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005072298	0	36	-1.0	-54.60	304.49	2.38	-52.22
CN(CC1CCCN1C(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005072299	0	38	-1.0	-45.42	311.62	2.85	-42.57
C[C@@H](O)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072300	0	39	-1.0	-46.75	311.86	0.34	-46.41
C=CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072301	0	36	-1.0	-46.39	296.09	2.39	-44.00
CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072302	0	37	-1.0	-56.92	304.99	1.24	-55.68
COCCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072303	0	41	-1.0	-55.72	338.67	0.31	-55.41
CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072304	0	34	-1.0	-56.97	284.71	0.42	-56.55
CC(CCNC(=O)C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072305	0	38	-1.0	-57.15	315.53	2.01	-55.14
CC(CCNC(=O)C1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072306	0	41	-1.0	-57.26	331.75	2.51	-54.75
CC(CCNC(=O)CC1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072307	0	41	-1.0	-57.68	335.95	2.78	-54.90
COCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072308	0	38	-1.0	-60.48	317.72	0.60	-59.88
CCCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072309	0	40	-1.0	-56.77	326.49	2.00	-54.77
CC(C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072310	0	43	-1.0	-56.38	343.22	2.59	-53.79
CC(CCNC(=O)C1CC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072311	0	41	-1.0	-56.85	336.89	2.68	-54.17
CCOCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072312	0	41	-1.0	-60.66	339.57	1.56	-59.10
CC(C)=CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072313	0	41	-1.0	-55.94	334.29	2.55	-53.39
CCCCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072314	0	43	-1.0	-56.87	347.99	2.78	-54.09
CC(C)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072315	0	40	-1.0	-56.58	324.54	1.91	-54.67
CCC(C)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072316	0	43	-1.0	-56.78	342.67	2.56	-54.22
COC(C)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072317	0	41	-1.0	-60.39	336.70	1.36	-59.03
C=CCCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072318	0	41	-1.0	-56.59	339.30	2.56	-54.03
CC=C(C)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072319	0	41	-1.0	-57.44	333.31	2.52	-54.92
CC(CCNC(=O)C1(C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072320	0	41	-1.0	-57.17	333.29	2.61	-54.56
CC(CCNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072321	0	41	-1.0	-57.19	337.35	2.69	-54.50
CC(CCNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072322	0	41	-1.0	-56.86	337.37	2.69	-54.17
CC(CCNC(=O)C(N)=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072323	0	35	-1.0	-51.69	300.35	-3.44	-55.13
CC(CCNC(=O)C(C)(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072324	0	43	-1.0	-56.82	343.43	2.47	-54.35
C=CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072325	0	38	-1.0	-57.01	317.91	1.78	-55.23
CC(CCNC(=O)C[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072326	0	43	0.0	-73.70	340.58	1.95	-71.75
CC(CCNC(=O)CN(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072326	1	42	-1.0	-57.31	338.50	-0.43	-57.74
C=CC(O)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072327	0	39	-1.0	-57.09	329.00	-0.35	-57.44
CC(CCNC(=O)C1COC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072328	0	39	-1.0	-56.67	322.35	-0.26	-56.93
CO[C@H](C)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072329	0	41	-1.0	-60.86	337.53	1.30	-59.56
CCC=CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072330	0	41	-1.0	-56.83	339.66	2.61	-54.22
CC(CCNC(=O)CO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072332	0	35	-1.0	-62.23	295.47	-1.68	-63.91
CC(O)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072333	0	38	-1.0	-57.13	315.79	-0.89	-58.02
CC(CCNC(=O)C1CC1F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072334	0	38	-1.0	-60.88	321.72	2.07	-58.81
CC(CCNC(=O)CCF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072335	0	37	-1.0	-54.98	311.59	1.38	-53.60
CC(CCNC(=O)C=CCF)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072336	0	38	-1.0	-59.31	324.76	1.96	-57.35
C#CCCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072337	0	39	-1.0	-56.24	332.27	2.52	-53.72
CC(CCNC(=O)C1CCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072338	0	39	-1.0	-62.44	323.85	0.77	-61.67
CC(CCNC(=O)C(C)(C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072339	0	41	-1.0	-53.90	335.48	-1.33	-55.23
CC1=CC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072340	0	39	-1.0	-57.51	330.53	2.71	-54.80
CC(CCNC(=O)[C@@H](C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072341	0	38	-1.0	-62.46	316.10	-0.92	-63.38
CC(CCNC(=O)C=CCO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072342	0	39	-1.0	-60.88	329.67	-1.52	-62.40
CC(CCNC(=O)C1=CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072343	0	39	-1.0	-58.24	325.96	2.59	-55.65
CON=CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072344	0	38	-1.0	-58.97	327.46	-0.19	-59.16
CC(CCNC(=O)C1(F)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072345	0	38	-1.0	-52.65	321.73	2.06	-50.59
CC=C(F)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072346	0	38	-1.0	-52.36	323.54	1.91	-50.45
CC(CO)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072347	0	41	-1.0	-55.66	335.12	-1.38	-57.04
CC(CCNC(=O)[C@H](C)O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072348	0	38	-1.0	-57.48	315.82	-0.89	-58.37
C=C1CC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072349	0	39	-1.0	-56.50	329.08	2.58	-53.92
C=C(C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072350	0	41	-1.0	-56.57	339.52	2.43	-54.14
CC=CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072351	0	38	-1.0	-57.01	318.57	1.85	-55.16
CC(CCNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072352	0	41	-1.0	-57.19	337.35	2.69	-54.50
CC(CCNC(=O)C1(O)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072353	0	39	-1.0	-55.59	323.85	-1.06	-56.65
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CC1	REAL250005072354	0	41	-1.0	-49.86	338.56	2.89	-46.97
COCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072355	0	38	-1.0	-53.16	320.35	0.72	-52.44
CCCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072356	0	40	-1.0	-49.55	329.12	2.12	-47.43
CC(C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072357	0	43	-1.0	-48.88	345.85	2.71	-46.17
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1C	REAL250005072358	0	41	-1.0	-49.76	338.72	2.75	-47.01
CCOCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072359	0	41	-1.0	-53.32	342.20	1.68	-51.64
CC(C)=CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072360	0	41	-1.0	-49.01	336.24	2.64	-46.37
CCCCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072361	0	43	-1.0	-49.72	350.62	2.90	-46.82
CC(C)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072362	0	40	-1.0	-49.31	322.76	1.65	-47.66
CCC(C)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072363	0	43	-1.0	-49.67	340.39	2.36	-47.31
COC(C)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072364	0	41	-1.0	-52.61	335.20	1.14	-51.47
C=CCCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072365	0	41	-1.0	-49.77	341.94	2.68	-47.09
CC(C#N)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072366	0	38	-1.0	-56.62	321.69	1.33	-55.29
CC=C(C)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072367	0	41	-1.0	-50.41	341.04	2.48	-47.93
CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072368	0	37	-1.0	-49.70	307.63	1.35	-48.35
COCCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072369	0	41	-1.0	-49.43	341.30	0.42	-49.01
CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072370	0	34	-1.0	-50.11	286.03	0.51	-49.60
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1	REAL250005072371	0	38	-1.0	-49.84	318.06	2.06	-47.78
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC1	REAL250005072372	0	41	-1.0	-49.73	332.79	2.54	-47.19
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(N)=O	REAL250005072373	0	35	-1.0	-47.81	300.96	-3.26	-51.07
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1C[C@H]1C	REAL250005072374	0	41	-1.0	-49.75	339.45	2.75	-47.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1C[C@@H]1C	REAL250005072375	0	41	-1.0	-49.77	338.72	2.75	-47.02
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CO	REAL250005072376	0	35	-1.0	-54.49	298.10	-1.56	-56.05
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCO1	REAL250005072377	0	39	-1.0	-54.61	325.23	0.80	-53.81
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1COC1	REAL250005072378	0	39	-1.0	-50.48	323.68	-0.21	-50.69
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CCO	REAL250005072379	0	39	-1.0	-53.98	331.48	-1.42	-55.40
CCC=CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072380	0	41	-1.0	-49.74	341.47	2.71	-47.03
C#CCCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072381	0	39	-1.0	-49.71	334.91	2.63	-47.08
C=CC(O)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072382	0	39	-1.0	-49.54	326.93	-0.43	-49.97
CC(O)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072383	0	38	-1.0	-51.29	313.32	-1.02	-52.31
CC(=O)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072384	0	36	-1.0	-46.73	307.41	0.54	-46.19
CC=C(F)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072385	0	38	-1.0	-47.20	323.52	1.93	-45.27
CC(CO)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072386	0	41	-1.0	-49.80	332.85	-1.58	-51.38
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CCC1	REAL250005072387	0	39	-1.0	-51.35	324.05	2.49	-48.86
CC=CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072388	0	38	-1.0	-49.93	320.38	1.95	-47.98
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CCF	REAL250005072389	0	38	-1.0	-52.43	326.56	2.06	-50.37
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)O	REAL250005072391	0	38	-1.0	-51.16	314.10	-1.05	-52.21
CON=CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072392	0	38	-1.0	-52.88	329.27	-0.12	-53.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1C[C@H]1C	REAL250005072393	0	41	-1.0	-49.75	339.45	2.75	-47.00
C=C(C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072394	0	41	-1.0	-49.46	342.18	2.55	-46.91
C=CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072395	0	38	-1.0	-50.06	320.54	1.89	-48.17
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+](C)C	REAL250005072396	0	43	0.0	-66.19	343.22	2.03	-64.16
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN(C)C	REAL250005072396	1	42	-1.0	-49.97	341.13	-0.36	-50.33
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC#N	REAL250005072397	0	35	-1.0	-57.74	307.09	1.02	-56.72
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC1F	REAL250005072398	0	38	-1.0	-48.20	324.86	2.17	-46.03
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCF	REAL250005072399	0	37	-1.0	-48.67	314.22	1.49	-47.18
CO[C@H](C)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072400	0	41	-1.0	-53.09	335.03	1.19	-51.90
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H](C)O	REAL250005072401	0	38	-1.0	-51.30	313.32	-1.02	-52.32
C=C1CC1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072402	0	39	-1.0	-49.91	330.92	2.66	-47.25
CC1=CC1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072403	0	39	-1.0	-50.22	332.42	2.78	-47.44
C=CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005072404	0	35	-1.0	-49.92	298.65	1.07	-48.85
CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005072405	0	39	-1.0	-44.61	286.82	3.69	-40.92
CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005072406	0	39	-1.0	-47.30	288.98	3.61	-43.69
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072407	0	36	-1.0	-47.83	288.74	-1.13	-48.96
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072408	0	33	-1.0	-55.66	265.56	-2.02	-57.68
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC2)CC(O)C1	REAL250005072409	0	37	-1.0	-53.20	296.27	-0.37	-53.57
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072410	0	37	-1.0	-57.15	298.48	-1.72	-58.87
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072411	0	39	-1.0	-53.44	307.25	-0.34	-53.78
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072412	0	39	-1.0	-47.71	303.41	-0.78	-48.49
NC(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072413	0	34	-1.0	-51.70	278.85	-5.91	-57.61
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072414	0	37	-1.0	-47.98	301.65	-0.59	-48.57
O=C(CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072415	0	34	-1.0	-58.62	276.43	-3.99	-62.61
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072416	0	37	-1.0	-52.87	290.46	-3.55	-56.42
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072417	0	37	-1.0	-50.94	294.25	-3.39	-54.33
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072418	0	37	-1.0	-48.11	289.96	-3.55	-51.66
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072419	0	37	-1.0	-58.74	300.05	-0.56	-59.30
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072420	0	37	-1.0	-57.15	298.48	-1.72	-58.87
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072421	0	39	-1.0	-53.44	307.25	-0.34	-53.78
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072422	0	39	-1.0	-47.71	303.41	-0.78	-48.49
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072423	0	36	-1.0	-47.83	288.74	-1.13	-48.96
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072424	0	33	-1.0	-55.66	265.56	-2.02	-57.68
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC2)CC(O)C1	REAL250005072425	0	37	-1.0	-53.20	296.27	-0.37	-53.57
NC(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072426	0	34	-1.0	-51.70	278.85	-5.91	-57.61
O=C(CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072427	0	34	-1.0	-58.62	276.43	-3.99	-62.61
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072428	0	37	-1.0	-52.87	290.46	-3.55	-56.42
CC(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072429	0	35	-1.0	-51.33	285.84	-2.12	-53.45
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072430	0	37	-1.0	-58.74	300.05	-0.56	-59.30
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072431	0	37	-1.0	-48.11	289.96	-3.55	-51.66
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072432	0	37	-1.0	-47.98	301.65	-0.59	-48.57
N#CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072433	0	34	-1.0	-52.95	288.20	-1.44	-54.39
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072434	0	37	-1.0	-50.94	294.25	-3.39	-54.33
C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL250005072435	0	34	-1.0	-56.37	280.10	-1.40	-57.77
CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005072436	0	38	-1.0	-48.47	302.91	-0.78	-49.25
CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005072437	0	38	-1.0	-49.49	310.43	-0.31	-49.80
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072438	0	35	-1.0	-44.61	276.61	1.69	-42.92
COCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072439	0	39	-1.0	-44.38	310.28	0.77	-43.61
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072440	0	32	-1.0	-44.92	255.15	0.79	-44.13
C[C@H]1CN(C(=O)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072441	0	36	-1.0	-44.23	286.12	2.31	-41.92
C[C@H]1CN(C(=O)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072442	0	39	-1.0	-43.87	306.27	3.12	-40.75
C[C@H]1CN(C(=O)CC2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072443	0	39	-1.0	-44.42	311.45	3.40	-41.02
C[C@H]1CN(C(=O)C(C)(C)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072444	0	38	-1.0	-43.01	296.82	2.00	-41.01
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072445	0	36	-1.0	-46.83	293.11	1.26	-45.57
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072446	0	38	-1.0	-44.27	301.82	2.64	-41.63
CC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072447	0	41	-1.0	-43.90	318.57	3.24	-40.66
CC1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072448	0	39	-1.0	-44.01	311.50	3.26	-40.75
CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072449	0	39	-1.0	-46.72	314.94	2.21	-44.51
CC(C)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072450	0	39	-1.0	-43.75	305.07	2.88	-40.87
CSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072451	0	36	-1.0	-46.00	303.45	2.35	-43.65
CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072452	0	41	-1.0	-44.26	319.51	3.16	-41.10
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072453	0	38	-1.0	-44.12	300.47	2.52	-41.60
CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072454	0	41	-1.0	-43.59	315.31	2.88	-40.71
COC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072455	0	39	-1.0	-46.16	308.44	1.71	-44.45
C=CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072456	0	39	-1.0	-44.19	314.69	3.19	-41.00
CC=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072457	0	39	-1.0	-43.97	309.64	2.73	-41.24
C[C@H]1CN(C(=O)C2(C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072458	0	39	-1.0	-43.67	305.65	2.86	-40.81
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072459	0	39	-1.0	-44.07	311.97	3.40	-40.67
CCC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072460	0	38	-1.0	-46.51	303.02	2.39	-44.12
C[C@H]1CN(C(=O)CCCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072461	0	38	-1.0	-46.69	304.60	2.52	-44.17
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072462	0	39	-1.0	-43.99	311.57	3.29	-40.70
C[C@H]1CN(C(=O)C(N)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072463	0	33	-1.0	-44.46	273.20	-2.92	-47.38
C[C@H]1CN(C(=O)C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072464	0	41	-1.0	-43.36	309.43	2.49	-40.87
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072465	0	36	-1.0	-44.57	293.30	2.42	-42.15
C[C@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072466	0	41	0.0	-69.75	315.94	2.56	-67.19
C[C@H]1CN(C(=O)CN(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072466	1	40	-1.0	-44.69	310.10	-0.02	-44.71
C=CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072467	0	37	-1.0	-44.16	297.63	0.25	-43.91
C[C@H]1CN(C(=O)C2COC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072468	0	37	-1.0	-44.66	297.17	0.32	-44.34
CO[C@H](C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072469	0	39	-1.0	-46.18	303.97	1.42	-44.76
CCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072470	0	39	-1.0	-47.08	310.16	3.06	-44.02
C[C@H]1CN(C(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072472	0	33	-1.0	-48.74	267.08	-1.20	-49.94
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072473	0	36	-1.0	-44.59	286.74	-0.50	-45.09
C[C@H]1CN(C(=O)C2CC2F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072474	0	36	-1.0	-47.81	294.98	2.72	-45.09
C[C@H]1CN(C(=O)CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072475	0	35	-1.0	-44.08	283.20	1.84	-42.24
C[C@H]1CN(C(=O)C=CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072476	0	36	-1.0	-49.53	294.97	2.27	-47.26
C#CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072477	0	37	-1.0	-44.61	307.65	3.15	-41.46
C[C@H]1CN(C(=O)C2CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072478	0	37	-1.0	-46.32	296.04	1.24	-45.08
C[C@H]1CN(C(=O)C(C)(C)O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072479	0	39	-1.0	-45.18	300.03	-0.99	-46.17
CC1=CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072480	0	37	-1.0	-45.07	301.35	3.13	-41.94
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072481	0	36	-1.0	-44.46	283.39	-0.78	-45.24
C[C@H]1CN(C(=O)C=CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072482	0	37	-1.0	-47.20	300.13	-1.09	-48.29
C[C@H]1CN(C(=O)C2=CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072483	0	37	-1.0	-44.85	297.03	3.11	-41.74
CON=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072484	0	36	-1.0	-46.22	301.98	0.51	-45.71
C[C@H]1CN(C(=O)C2(F)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072485	0	36	-1.0	-45.06	292.45	2.31	-42.75
CC=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072486	0	36	-1.0	-43.05	291.98	2.15	-40.90
CC(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072487	0	39	-1.0	-44.21	306.88	-1.14	-45.35
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072488	0	36	-1.0	-47.54	287.41	-0.43	-47.97
C=C1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072489	0	37	-1.0	-44.03	303.92	3.19	-40.84
CC(CF)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072490	0	38	-1.0	-43.05	299.16	2.14	-40.91
C=C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072491	0	39	-1.0	-44.33	311.00	2.81	-41.52
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072492	0	36	-1.0	-44.55	289.02	2.28	-42.27
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL250005072493	0	39	-1.0	-44.07	311.97	3.40	-40.67
C[C@H]1CN(C(=O)C2(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072494	0	37	-1.0	-43.25	295.80	-0.83	-44.08
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC1	REAL250005072495	0	39	-1.0	-44.42	311.64	3.52	-40.90
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)(C)F	REAL250005072496	0	38	-1.0	-42.68	301.19	2.40	-40.28
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072497	0	36	-1.0	-45.80	289.05	0.82	-44.98
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072498	0	38	-1.0	-44.25	302.18	2.75	-41.50
CC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072499	0	41	-1.0	-43.85	318.90	3.35	-40.50
CC1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072500	0	39	-1.0	-42.75	301.90	3.05	-39.70
CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072501	0	39	-1.0	-45.73	310.90	1.77	-43.96
CC(C)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072502	0	39	-1.0	-42.82	304.55	2.87	-39.95
CSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072503	0	36	-1.0	-45.00	299.39	2.06	-42.94
CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072504	0	41	-1.0	-44.28	323.69	3.53	-40.75
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072505	0	38	-1.0	-46.73	295.84	2.27	-44.46
CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072506	0	41	-1.0	-43.72	315.02	3.00	-40.72
COC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072507	0	39	-1.0	-45.14	303.48	1.24	-43.90
C=CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072508	0	39	-1.0	-43.22	310.64	2.94	-40.28
CC(C#N)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072509	0	36	-1.0	-49.71	299.37	2.02	-47.69
CC=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072510	0	39	-1.0	-43.50	301.43	2.50	-41.00
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072511	0	35	-1.0	-43.63	276.33	1.61	-42.02
COCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072512	0	39	-1.0	-43.47	310.00	0.68	-42.79
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072513	0	32	-1.0	-44.83	258.44	1.04	-43.79
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1	REAL250005072514	0	36	-1.0	-43.27	285.98	2.32	-40.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC1	REAL250005072515	0	39	-1.0	-42.96	302.75	2.87	-40.09
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(N)=O	REAL250005072516	0	33	-1.0	-44.31	273.28	-2.89	-47.20
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072517	0	39	-1.0	-43.85	311.67	3.28	-40.57
CCC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072518	0	38	-1.0	-46.18	307.25	2.76	-43.42
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCF	REAL250005072519	0	38	-1.0	-46.77	308.78	2.89	-43.88
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072520	0	39	-1.0	-43.03	307.86	3.01	-40.02
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005072521	0	33	-1.0	-47.46	266.79	-1.47	-48.93
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCO1	REAL250005072522	0	37	-1.0	-47.50	296.48	1.49	-46.01
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1COC1	REAL250005072523	0	37	-1.0	-43.80	293.39	0.09	-43.71
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CCO	REAL250005072524	0	37	-1.0	-47.05	304.27	-0.82	-47.87
CCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072525	0	39	-1.0	-43.50	310.08	2.96	-40.54
C#CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072526	0	37	-1.0	-43.77	303.61	2.89	-40.88
C=CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072527	0	37	-1.0	-44.18	297.84	0.36	-43.82
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072528	0	36	-1.0	-44.74	286.04	-0.52	-45.26
CC(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072529	0	34	-1.0	-43.01	276.56	0.60	-42.41
CC=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072530	0	36	-1.0	-42.94	296.32	2.52	-40.42
CC(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072531	0	39	-1.0	-43.51	303.44	-1.18	-44.69
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CCC1	REAL250005072532	0	37	-1.0	-43.80	292.76	2.73	-41.07
CC(CF)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072533	0	38	-1.0	-43.17	302.46	2.46	-40.71
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072534	0	36	-1.0	-44.38	293.17	2.55	-41.83
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CCF	REAL250005072535	0	36	-1.0	-45.86	299.35	2.67	-43.19
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072537	0	36	-1.0	-44.44	288.02	-0.37	-44.81
CON=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072538	0	36	-1.0	-45.15	297.67	0.12	-45.03
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072539	0	39	-1.0	-43.85	311.67	3.28	-40.57
C=C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072540	0	39	-1.0	-44.23	315.18	3.20	-41.03
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072541	0	36	-1.0	-44.52	293.54	2.54	-41.98
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL250005072542	0	41	0.0	-69.43	316.27	2.66	-66.77
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN(C)C	REAL250005072542	1	40	-1.0	-43.58	309.83	-0.12	-43.70
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC#N	REAL250005072543	0	33	-1.0	-51.38	275.79	1.30	-50.08
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1F	REAL250005072544	0	36	-1.0	-42.93	292.77	2.43	-40.50
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCF	REAL250005072545	0	35	-1.0	-43.24	282.92	1.76	-41.48
CO[C@H](C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072546	0	39	-1.0	-46.11	308.41	1.69	-44.42
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072547	0	36	-1.0	-47.65	287.31	-0.40	-48.05
C=C1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072548	0	37	-1.0	-44.24	303.81	3.17	-41.07
CC1=CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072549	0	37	-1.0	-44.91	305.54	3.42	-41.49
C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005072550	0	33	-1.0	-44.57	271.45	1.62	-42.95
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL250005072551	0	41	-1.0	-44.35	306.91	2.58	-41.77
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL250005072552	0	38	-1.0	-44.85	285.69	1.91	-42.94
CC(C)[C@H]1CN(C(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072553	0	39	-1.0	-48.45	297.70	-0.09	-48.54
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL250005072554	0	41	-1.0	-42.86	306.44	2.54	-40.32
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL250005072555	0	38	-1.0	-43.29	286.47	1.85	-41.44
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005072556	0	39	-1.0	-46.46	297.64	-0.47	-46.93
C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL250005072557	0	39	-1.0	-43.01	297.10	2.24	-40.77
CCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072558	0	41	-1.0	-50.67	319.74	3.04	-47.63
CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072559	0	38	-1.0	-50.57	299.84	2.33	-48.24
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CO	REAL250005072560	0	39	-1.0	-55.55	310.21	0.06	-55.49
CCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072561	0	41	-1.0	-59.42	320.81	3.19	-56.23
CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072562	0	38	-1.0	-55.73	299.09	2.36	-53.37
CN(CC1CCCN(C(=O)CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005072563	0	39	-1.0	-64.32	311.08	0.36	-63.96
C=CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005072564	0	39	-1.0	-60.07	311.56	2.89	-57.18
CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072565	0	35	-1.0	-53.82	290.32	0.64	-53.18
COCCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072566	0	39	-1.0	-52.76	323.99	-0.30	-53.06
CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072567	0	32	-1.0	-54.94	270.84	-0.19	-55.13
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005072568	0	36	-1.0	-54.39	300.66	1.40	-52.99
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005072569	0	39	-1.0	-54.44	316.88	1.90	-52.54
O=C(CC1CC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072570	0	39	-1.0	-54.11	321.24	2.18	-51.93
CC(C)(F)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072571	0	38	-1.0	-51.72	317.14	1.30	-50.42
COCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072572	0	36	-1.0	-57.01	303.04	0.00	-57.01
CCCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072573	0	38	-1.0	-54.29	311.64	1.38	-52.91
CC(C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072574	0	41	-1.0	-53.96	328.35	1.96	-52.00
CC1CC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072575	0	39	-1.0	-53.64	322.16	2.10	-51.54
CCOCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072576	0	39	-1.0	-57.86	324.70	0.93	-56.93
CC(C)=CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072577	0	39	-1.0	-52.95	319.72	1.94	-51.01
CSCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072578	0	36	-1.0	-56.06	313.38	1.06	-55.00
CCCCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072579	0	41	-1.0	-53.68	333.31	2.19	-51.49
CC(C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072580	0	38	-1.0	-53.55	309.87	1.31	-52.24
CCC(C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072581	0	41	-1.0	-53.41	327.98	1.95	-51.46
COC(C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072582	0	39	-1.0	-56.97	322.77	0.72	-56.25
C=CCCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072583	0	39	-1.0	-53.97	324.44	1.93	-52.04
CC=C(C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072584	0	39	-1.0	-54.08	318.57	1.93	-52.15
CC1(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072585	0	39	-1.0	-53.65	318.60	2.02	-51.63
C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072586	0	39	-1.0	-53.64	322.15	2.10	-51.54
CCC(F)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072587	0	38	-1.0	-54.48	318.08	1.44	-53.04
O=C(CCCF)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072588	0	38	-1.0	-57.27	318.23	1.52	-55.75
C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072589	0	39	-1.0	-54.39	323.05	2.06	-52.33
NC(=O)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072590	0	33	-1.0	-49.34	285.61	-4.01	-53.35
CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072591	0	41	-1.0	-54.40	329.59	1.84	-52.56
C=CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072592	0	36	-1.0	-53.77	303.23	1.18	-52.59
C[NH+](C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072593	0	41	0.0	-75.00	325.71	1.32	-73.68
CN(C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072593	1	40	-1.0	-55.03	324.64	-1.06	-56.09
C=CC(O)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072594	0	37	-1.0	-54.84	312.49	-0.79	-55.63
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1COC1	REAL250005072595	0	37	-1.0	-54.48	307.49	-0.88	-55.36
CO[C@H](C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072596	0	39	-1.0	-56.86	322.81	0.70	-56.16
CCC=CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072597	0	39	-1.0	-53.49	324.97	2.00	-51.49
O=C(CO)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072599	0	33	-1.0	-59.53	280.60	-2.32	-61.85
CC(O)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072600	0	36	-1.0	-55.34	300.88	-1.49	-56.83
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1F	REAL250005072601	0	36	-1.0	-58.55	307.03	1.48	-57.07
O=C(CCF)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072602	0	35	-1.0	-52.77	296.72	0.75	-52.02
O=C(C=CCF)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072603	0	36	-1.0	-55.46	310.06	1.36	-54.10
C#CCCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072604	0	37	-1.0	-53.23	317.60	1.92	-51.31
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCO1	REAL250005072605	0	37	-1.0	-59.30	310.04	0.16	-59.14
CC(C)(O)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072606	0	39	-1.0	-59.54	320.69	-0.82	-60.36
CC1=CC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072607	0	37	-1.0	-53.91	315.81	2.12	-51.79
C[C@@H](O)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072608	0	36	-1.0	-55.52	301.98	-1.51	-57.03
O=C(C=CCO)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072609	0	37	-1.0	-57.05	314.98	-2.12	-59.17
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005072610	0	37	-1.0	-54.42	311.27	2.01	-52.41
CON=CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072611	0	36	-1.0	-55.41	312.77	-0.78	-56.19
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(F)CC1	REAL250005072612	0	36	-1.0	-50.02	306.87	1.45	-48.57
CC=C(F)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072613	0	36	-1.0	-50.19	308.67	1.28	-48.91
CC(CO)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072614	0	39	-1.0	-52.87	320.44	-1.97	-54.84
C[C@H](O)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072615	0	36	-1.0	-54.73	301.94	-1.52	-56.25
C=C1CC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072616	0	37	-1.0	-54.07	314.16	1.98	-52.09
CC(CF)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072617	0	38	-1.0	-52.41	316.53	1.41	-51.00
C=C(C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072618	0	39	-1.0	-54.21	324.65	1.79	-52.42
CC=CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072619	0	36	-1.0	-54.45	303.70	1.21	-53.24
C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072620	0	39	-1.0	-53.64	322.15	2.10	-51.54
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(O)CC1	REAL250005072621	0	37	-1.0	-52.59	308.99	-1.67	-54.26
O=C(CC1CC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072622	0	39	-1.0	-50.91	324.74	2.29	-48.62
CC(C)(F)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072623	0	38	-1.0	-48.26	313.29	1.10	-47.16
COCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072624	0	36	-1.0	-54.32	306.04	0.13	-54.19
CCCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072625	0	38	-1.0	-50.62	314.75	1.55	-49.07
CC(C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072626	0	41	-1.0	-50.07	332.00	2.11	-47.96
CC1CC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072627	0	39	-1.0	-50.92	324.84	2.14	-48.78
CCOCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072628	0	39	-1.0	-54.26	328.34	1.05	-53.21
CC(C)=CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072629	0	39	-1.0	-49.93	322.25	2.00	-47.93
CSCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072630	0	36	-1.0	-53.42	316.38	1.23	-52.19
CCCCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072631	0	41	-1.0	-50.10	336.46	2.34	-47.76
CC(C)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072632	0	38	-1.0	-49.98	309.56	1.13	-48.85
CCC(C)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072633	0	41	-1.0	-53.25	324.50	2.67	-50.58
COC(C)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072634	0	39	-1.0	-53.77	320.48	0.55	-53.22
C=CCCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072635	0	39	-1.0	-50.42	327.57	2.12	-48.30
CC(C#N)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072636	0	36	-1.0	-63.00	307.20	1.72	-61.28
CC=C(C)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072637	0	39	-1.0	-54.19	310.83	2.43	-51.76
CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072638	0	35	-1.0	-50.53	293.83	0.76	-49.77
COCCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072639	0	39	-1.0	-49.91	326.93	-0.14	-50.05
CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072640	0	32	-1.0	-51.00	272.97	-0.01	-51.01
O=C(NC[C@@H]1CCCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005072641	0	36	-1.0	-50.90	302.82	1.50	-49.40
O=C(NC[C@@H]1CCCN1C(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005072642	0	39	-1.0	-50.91	319.49	2.03	-48.88
NC(=O)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072643	0	33	-1.0	-46.93	286.80	-3.93	-50.86
C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072644	0	39	-1.0	-50.76	324.87	2.13	-48.63
CCC(F)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072645	0	38	-1.0	-51.60	320.12	1.48	-50.12
O=C(CCCF)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072646	0	38	-1.0	-53.33	321.82	1.65	-51.68
C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072647	0	39	-1.0	-50.64	325.90	2.16	-48.48
O=C(CO)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072648	0	33	-1.0	-55.91	283.76	-2.15	-58.06
O=C(NC[C@@H]1CCCN1C(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005072649	0	37	-1.0	-55.63	310.95	0.31	-55.32
O=C(NC[C@@H]1CCCN1C(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005072650	0	37	-1.0	-50.29	311.23	-0.73	-51.02
O=C(C=CCO)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072651	0	37	-1.0	-53.83	317.01	-2.01	-55.84
CCC=CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072652	0	39	-1.0	-50.17	326.95	2.11	-48.06
C#CCCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072653	0	37	-1.0	-50.26	321.04	2.01	-48.25
C=CC(O)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072654	0	37	-1.0	-51.16	312.91	-1.09	-52.25
CC(O)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072655	0	36	-1.0	-53.65	296.64	-0.79	-54.44
CC(=O)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072656	0	34	-1.0	-46.39	292.63	-0.07	-46.46
CC=C(F)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072657	0	36	-1.0	-46.93	309.81	1.29	-45.64
CC(CO)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072658	0	39	-1.0	-50.11	318.78	-2.18	-52.29
O=C(NC[C@@H]1CCCN1C(=O)C1=CCC1)C1=CC(=O)[N-]O1	REAL250005072659	0	37	-1.0	-51.63	309.26	1.84	-49.79
CC(CF)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072660	0	38	-1.0	-48.51	314.35	1.25	-47.26
CC=CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072661	0	36	-1.0	-51.01	305.72	1.34	-49.67
O=C(C=CCF)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072662	0	36	-1.0	-52.57	312.87	1.43	-51.14
C[C@H](O)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072664	0	36	-1.0	-51.29	299.29	-1.66	-52.95
CON=CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072665	0	36	-1.0	-52.41	314.77	-0.71	-53.12
C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072666	0	39	-1.0	-50.76	324.87	2.13	-48.63
C=C(C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072667	0	39	-1.0	-50.40	328.31	1.92	-48.48
C=CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072668	0	36	-1.0	-50.63	306.69	1.27	-49.36
C[NH+](C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072669	0	41	0.0	-70.63	329.36	1.43	-69.20
CN(C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072669	1	40	-1.0	-51.12	327.28	-0.96	-52.08
N#CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072670	0	33	-1.0	-59.75	292.75	0.46	-59.29
O=C(NC[C@@H]1CCCN1C(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005072671	0	36	-1.0	-55.59	308.17	1.57	-54.02
O=C(CCF)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072672	0	35	-1.0	-49.34	299.85	0.93	-48.41
CO[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072673	0	39	-1.0	-57.27	317.63	1.36	-55.91
C[C@@H](O)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072674	0	36	-1.0	-53.53	295.73	-0.96	-54.49
C=C1CC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072675	0	37	-1.0	-50.75	316.38	2.05	-48.70
CC1=CC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072676	0	37	-1.0	-51.24	319.41	2.20	-49.04
C=CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072677	0	33	-1.0	-50.92	284.94	0.44	-50.48
COCC1(NC(C)=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005072678	0	39	-1.0	-45.40	308.45	-0.21	-45.61
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(C)=O)CC1	REAL250005072679	0	39	-1.0	-50.69	311.63	0.10	-50.59
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072680	0	35	-1.0	-44.58	280.42	1.87	-42.71
COCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072681	0	39	-1.0	-44.43	310.29	0.77	-43.66
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072682	0	32	-1.0	-45.02	258.31	1.02	-44.00
C[C@@H]1CN(C(=O)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072683	0	36	-1.0	-44.19	286.27	2.31	-41.88
C[C@@H]1CN(C(=O)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072684	0	39	-1.0	-43.90	306.67	3.11	-40.79
C[C@@H]1CN(C(=O)CC2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072685	0	39	-1.0	-44.41	307.28	3.12	-41.29
C[C@@H]1CN(C(=O)C(C)(C)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072686	0	38	-1.0	-42.83	297.14	2.11	-40.72
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072687	0	36	-1.0	-47.06	289.41	1.09	-45.97
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072688	0	38	-1.0	-44.38	302.24	2.75	-41.63
CC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072689	0	41	-1.0	-43.88	314.56	2.94	-40.94
CC1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072690	0	39	-1.0	-44.03	311.94	3.38	-40.65
CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072691	0	39	-1.0	-46.92	315.32	2.33	-44.59
CC(C)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072692	0	39	-1.0	-43.88	308.72	3.13	-40.75
CSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072693	0	36	-1.0	-46.23	299.75	2.18	-44.05
CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072694	0	41	-1.0	-44.35	319.54	3.26	-41.09
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072695	0	38	-1.0	-44.02	299.97	2.41	-41.61
CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072696	0	41	-1.0	-47.01	314.84	2.93	-44.08
COC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072697	0	39	-1.0	-46.17	304.44	1.41	-44.76
C=CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072698	0	39	-1.0	-44.23	314.95	3.32	-40.91
CC=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072699	0	39	-1.0	-47.80	301.43	2.56	-45.24
C[C@@H]1CN(C(=O)C2(C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072700	0	39	-1.0	-43.65	304.94	2.63	-41.02
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072701	0	39	-1.0	-43.97	307.65	2.99	-40.98
CCC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072702	0	38	-1.0	-46.27	306.96	2.63	-43.64
C[C@@H]1CN(C(=O)CCCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072703	0	38	-1.0	-46.88	308.74	2.90	-43.98
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072704	0	39	-1.0	-44.01	307.51	2.97	-41.04
C[C@@H]1CN(C(=O)C(N)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072705	0	33	-1.0	-44.39	269.09	-3.22	-47.61
C[C@@H]1CN(C(=O)C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072706	0	41	-1.0	-43.63	305.29	2.31	-41.32
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072707	0	36	-1.0	-44.71	293.64	2.53	-42.18
C[C@@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072708	0	41	0.0	-69.27	311.92	2.25	-67.02
C[C@@H]1CN(C(=O)CN(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072708	1	40	-1.0	-44.52	313.93	0.15	-44.37
C=CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072709	0	37	-1.0	-43.96	294.70	-0.24	-44.20
C[C@@H]1CN(C(=O)C2COC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072710	0	37	-1.0	-44.79	297.63	0.46	-44.33
CO[C@H](C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072711	0	39	-1.0	-49.71	309.11	1.71	-48.00
CCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072712	0	39	-1.0	-44.33	314.28	3.34	-40.99
C[C@@H]1CN(C(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072714	0	33	-1.0	-48.54	270.84	-0.99	-49.53
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072715	0	36	-1.0	-47.75	287.36	-0.41	-48.16
C[C@@H]1CN(C(=O)C2CC2F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072716	0	36	-1.0	-47.78	296.78	2.78	-45.00
C[C@@H]1CN(C(=O)CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072717	0	35	-1.0	-44.11	283.12	1.85	-42.26
C[C@@H]1CN(C(=O)C=CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072718	0	36	-1.0	-46.11	299.37	2.70	-43.41
C#CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072719	0	37	-1.0	-44.70	303.89	2.98	-41.72
C[C@@H]1CN(C(=O)C2CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072720	0	37	-1.0	-46.28	289.63	0.94	-45.34
C[C@@H]1CN(C(=O)C(C)(C)O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072721	0	39	-1.0	-47.12	296.82	-0.38	-47.50
CC1=CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072722	0	37	-1.0	-44.97	305.57	3.44	-41.53
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072723	0	36	-1.0	-47.57	287.00	-0.48	-48.05
C[C@@H]1CN(C(=O)C=CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072724	0	37	-1.0	-47.22	304.29	-0.78	-48.00
C[C@@H]1CN(C(=O)C2=CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072725	0	37	-1.0	-44.61	296.28	2.96	-41.65
CON=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072726	0	36	-1.0	-46.19	302.06	0.52	-45.67
C[C@@H]1CN(C(=O)C2(F)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072727	0	36	-1.0	-43.23	290.77	2.29	-40.94
CC=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072728	0	36	-1.0	-43.03	297.91	2.57	-40.46
CC(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072729	0	39	-1.0	-44.47	307.42	-0.95	-45.42
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072730	0	36	-1.0	-51.41	283.49	-0.69	-52.10
C=C1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072731	0	37	-1.0	-44.03	304.17	3.30	-40.73
CC(CF)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072732	0	38	-1.0	-45.29	306.12	2.61	-42.68
C=C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072733	0	39	-1.0	-44.35	314.63	3.09	-41.26
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072734	0	36	-1.0	-44.60	293.19	2.58	-42.02
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL250005072735	0	39	-1.0	-43.97	307.65	2.99	-40.98
C[C@@H]1CN(C(=O)C2(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072736	0	37	-1.0	-45.30	293.59	-0.55	-45.85
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC1	REAL250005072737	0	39	-1.0	-43.63	307.53	3.23	-40.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)(C)F	REAL250005072738	0	38	-1.0	-42.48	300.91	2.29	-40.19
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072739	0	36	-1.0	-46.00	289.13	0.87	-45.13
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072740	0	38	-1.0	-43.58	298.13	2.46	-41.12
CC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072741	0	41	-1.0	-43.07	314.65	3.00	-40.07
CC1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072742	0	39	-1.0	-43.61	306.55	3.46	-40.15
CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072743	0	39	-1.0	-46.84	315.37	2.34	-44.50
CC(C)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072744	0	39	-1.0	-43.60	309.09	3.18	-40.42
CSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072745	0	36	-1.0	-45.20	299.48	2.11	-43.09
CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072746	0	41	-1.0	-44.29	323.69	3.55	-40.74
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072747	0	38	-1.0	-46.84	295.16	2.23	-44.61
CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072748	0	41	-1.0	-43.73	315.24	2.91	-40.82
COC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072749	0	39	-1.0	-45.32	304.87	1.31	-44.01
C=CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072750	0	39	-1.0	-44.17	315.04	3.33	-40.84
CC(C#N)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072751	0	36	-1.0	-48.56	292.81	1.76	-46.80
CC=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072752	0	39	-1.0	-43.91	313.84	3.02	-40.89
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072753	0	35	-1.0	-43.76	276.47	1.65	-42.11
COCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072754	0	39	-1.0	-44.30	314.37	1.07	-43.23
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072755	0	32	-1.0	-44.07	254.51	0.83	-43.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1	REAL250005072756	0	36	-1.0	-43.12	286.66	2.37	-40.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC1	REAL250005072757	0	39	-1.0	-43.03	301.95	2.84	-40.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(N)=O	REAL250005072758	0	33	-1.0	-43.90	269.05	-3.21	-47.11
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072759	0	39	-1.0	-43.21	307.58	2.98	-40.23
CCC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072760	0	38	-1.0	-46.05	307.01	2.62	-43.43
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCF	REAL250005072761	0	38	-1.0	-46.75	308.79	2.91	-43.84
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072762	0	39	-1.0	-43.26	308.05	3.10	-40.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005072763	0	33	-1.0	-47.63	266.90	-1.42	-49.05
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCO1	REAL250005072764	0	37	-1.0	-46.75	292.75	1.01	-45.74
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1COC1	REAL250005072765	0	37	-1.0	-43.91	292.67	0.09	-43.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CCO	REAL250005072766	0	37	-1.0	-46.28	300.18	-1.10	-47.38
CCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072767	0	39	-1.0	-43.35	310.17	3.03	-40.32
C#CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072768	0	37	-1.0	-44.58	307.97	3.29	-41.29
C=CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072769	0	37	-1.0	-43.53	294.33	-0.08	-43.61
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072770	0	36	-1.0	-43.73	283.98	-0.81	-44.54
CC(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072771	0	34	-1.0	-43.48	279.71	0.88	-42.60
CC=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072772	0	36	-1.0	-42.38	292.25	2.17	-40.21
CC(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072773	0	39	-1.0	-46.03	304.60	-1.17	-47.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CCC1	REAL250005072774	0	37	-1.0	-44.77	296.79	2.98	-41.79
CC(CF)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072775	0	38	-1.0	-43.56	305.65	2.51	-41.05
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072776	0	36	-1.0	-43.51	288.87	2.17	-41.34
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CCF	REAL250005072777	0	36	-1.0	-45.86	299.02	2.57	-43.29
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072779	0	36	-1.0	-46.55	282.59	-0.87	-47.42
CON=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072780	0	36	-1.0	-45.35	297.71	0.15	-45.20
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072781	0	39	-1.0	-43.21	307.58	2.98	-40.23
C=C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072782	0	39	-1.0	-43.55	310.73	2.83	-40.72
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072783	0	36	-1.0	-43.72	289.36	2.18	-41.54
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL250005072784	0	41	0.0	-68.75	312.01	2.31	-66.44
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN(C)C	REAL250005072784	1	40	-1.0	-44.54	314.20	0.28	-44.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC#N	REAL250005072785	0	33	-1.0	-51.65	275.89	1.33	-50.32
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1F	REAL250005072786	0	36	-1.0	-47.85	294.86	2.70	-45.15
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCF	REAL250005072787	0	35	-1.0	-44.05	287.32	2.16	-41.89
CO[C@H](C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072788	0	39	-1.0	-45.31	304.86	1.30	-44.01
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072789	0	36	-1.0	-44.02	283.15	-0.91	-44.93
C=C1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072790	0	37	-1.0	-44.18	303.73	3.17	-41.01
CC1=CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072791	0	37	-1.0	-44.00	301.60	3.17	-40.83
C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005072792	0	33	-1.0	-43.94	267.36	1.40	-42.54
CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005072793	0	39	-1.0	-47.85	287.96	3.11	-44.74
CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005072794	0	39	-1.0	-48.09	289.30	2.98	-45.11
CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005072795	0	39	-1.0	-44.30	294.58	3.37	-40.93
CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005072796	0	36	-1.0	-44.59	272.31	2.41	-42.18
O=C(CO)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005072797	0	37	-1.0	-48.23	284.96	0.38	-47.85
CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005072798	0	39	-1.0	-48.34	294.19	3.32	-45.02
CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005072799	0	36	-1.0	-45.29	273.09	2.51	-42.78
O=C(CO)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005072800	0	37	-1.0	-52.58	284.70	0.43	-52.15
C=CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005072801	0	37	-1.0	-47.99	284.98	3.01	-44.98
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL250005072802	0	38	-1.0	-62.59	295.94	2.65	-59.94
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL250005072803	0	35	-1.0	-63.78	277.57	1.98	-61.80
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL250005072804	0	38	-1.0	-62.59	295.94	2.65	-59.94
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL250005072805	0	35	-1.0	-63.78	277.57	1.98	-61.80
C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL250005072806	0	36	-1.0	-61.69	289.69	2.47	-59.22
CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL250005072807	0	40	-1.0	-46.30	317.49	-0.84	-47.14
CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL250005072808	0	37	-1.0	-46.51	296.89	-1.66	-48.17
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CO	REAL250005072809	0	38	-1.0	-50.60	307.96	-3.76	-54.36
CCC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072810	0	40	-1.0	-48.71	321.09	-0.45	-49.16
CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072811	0	37	-1.0	-49.09	298.99	-1.33	-50.42
CN1CCN(C(=O)CO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072812	0	38	-1.0	-53.47	311.57	-3.34	-56.81
C=CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072813	0	38	-1.0	-48.79	311.54	-0.88	-49.67
CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005072814	0	35	-1.0	-52.71	296.80	0.73	-51.98
CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005072815	0	32	-1.0	-53.72	277.33	-0.11	-53.83
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005072816	0	36	-1.0	-53.27	308.15	1.47	-51.80
CCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005072817	0	38	-1.0	-52.54	318.30	1.49	-51.05
CC(C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005072818	0	38	-1.0	-52.29	316.34	1.40	-50.89
C=CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005072819	0	36	-1.0	-53.51	310.55	1.25	-52.26
O=C(CO)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005072820	0	33	-1.0	-57.74	287.27	-2.19	-59.93
CC=CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005072821	0	36	-1.0	-52.64	310.33	1.36	-51.28
CCCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072822	0	38	-1.0	-50.29	321.29	1.61	-48.68
CC(C)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072823	0	38	-1.0	-51.97	312.46	2.11	-49.86
CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072824	0	35	-1.0	-50.07	300.30	0.83	-49.24
CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072825	0	32	-1.0	-50.62	279.48	0.07	-50.55
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005072826	0	36	-1.0	-49.81	311.01	1.57	-48.24
O=C(CO)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072827	0	33	-1.0	-54.91	290.43	-2.06	-56.97
CC(=O)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072828	0	34	-1.0	-46.66	299.00	-0.03	-46.69
CC=CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072829	0	36	-1.0	-49.95	313.16	1.39	-48.56
C=CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072830	0	36	-1.0	-50.03	313.17	1.35	-48.68
N#CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072831	0	33	-1.0	-59.39	299.43	0.55	-58.84
C=CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072832	0	33	-1.0	-50.11	291.44	0.53	-49.58
CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072833	0	36	-1.0	-49.26	297.96	1.87	-47.39
CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072834	0	33	-1.0	-49.48	277.37	1.06	-48.42
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005072835	0	37	-1.0	-48.93	306.32	2.92	-46.01
COCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072836	0	37	-1.0	-51.89	310.68	1.23	-50.66
CCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072837	0	39	-1.0	-49.20	319.46	2.63	-46.57
CC(C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072838	0	39	-1.0	-49.16	317.51	2.54	-46.62
NC(=O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072839	0	34	-1.0	-52.14	293.31	-2.79	-54.93
C=CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072840	0	37	-1.0	-49.12	310.87	2.41	-46.71
O=C(CO)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072841	0	34	-1.0	-53.10	288.43	-1.05	-54.15
CC(O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072842	0	37	-1.0	-50.85	308.76	-0.26	-51.11
O=C(CCF)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072843	0	36	-1.0	-48.37	304.55	2.01	-46.36
C[C@@H](O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072844	0	37	-1.0	-47.23	303.43	0.00	-47.23
C[C@H](O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072845	0	37	-1.0	-51.84	306.63	-0.15	-51.99
CC=CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL250005072846	0	37	-1.0	-50.14	311.54	2.49	-47.65
COCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072847	0	37	-1.0	-58.27	310.35	1.51	-56.76
CCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072848	0	39	-1.0	-54.03	319.51	2.99	-51.04
CC(C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072849	0	39	-1.0	-54.14	317.17	2.78	-51.36
CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072850	0	36	-1.0	-54.16	297.63	2.29	-51.87
CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072851	0	33	-1.0	-53.93	277.33	1.48	-52.45
O=C(NCC12CC(C1)CN2C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005072852	0	37	-1.0	-53.84	309.53	2.82	-51.02
NC(=O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072853	0	34	-1.0	-49.44	291.24	-2.51	-51.95
O=C(CO)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072854	0	34	-1.0	-59.58	288.10	-0.77	-60.35
CC(O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072855	0	37	-1.0	-55.47	303.60	-0.21	-55.68
CC(=O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072856	0	35	-1.0	-49.10	298.64	1.31	-47.79
CC=CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072857	0	37	-1.0	-54.43	310.63	2.85	-51.58
C[C@H](O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072858	0	37	-1.0	-54.19	303.63	-0.20	-54.39
C=CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072859	0	37	-1.0	-54.12	310.54	2.82	-51.30
N#CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072860	0	34	-1.0	-65.44	297.09	1.97	-63.47
O=C(CCF)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072861	0	36	-1.0	-52.59	304.22	2.43	-50.16
C[C@@H](O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072862	0	37	-1.0	-59.32	305.52	-0.41	-59.73
C=CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005072863	0	34	-1.0	-54.16	288.91	1.97	-52.19
CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL250005072864	0	41	-1.0	-50.42	307.49	2.25	-48.17
CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072865	0	41	-1.0	-51.23	309.40	2.60	-48.63
CCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072866	0	39	-1.0	-46.38	310.07	1.76	-44.62
CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072867	0	36	-1.0	-46.72	289.76	0.95	-45.77
O=C(CO)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072868	0	37	-1.0	-50.45	300.80	-1.18	-51.63
CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072869	0	39	-1.0	-51.14	316.01	1.66	-49.48
CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072870	0	36	-1.0	-51.36	294.22	0.81	-50.55
O=C(CO)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072871	0	37	-1.0	-56.15	306.48	-1.22	-57.37
C=CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072872	0	37	-1.0	-52.21	304.15	1.59	-50.62
CCC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005072873	0	41	-1.0	-46.32	308.54	2.00	-44.32
CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL250005072874	0	38	-1.0	-53.29	292.25	0.97	-52.32
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CO	REAL250005072875	0	39	-1.0	-58.27	303.03	-1.24	-59.51
CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005072876	0	41	-1.0	-52.48	315.79	2.09	-50.39
CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005072877	0	38	-1.0	-52.67	293.78	1.24	-51.43
CC1CCN(C(=O)CO)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL250005072878	0	39	-1.0	-60.65	313.83	-0.31	-60.96
C=CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL250005072879	0	39	-1.0	-53.03	306.50	1.81	-51.22
CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072880	0	38	-1.0	-50.20	305.04	1.85	-48.35
CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072881	0	35	-1.0	-50.36	284.45	1.03	-49.33
CC1(CNC(=O)C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072882	0	39	-1.0	-50.88	314.66	2.52	-48.36
COCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072883	0	39	-1.0	-52.86	317.76	1.21	-51.65
CCCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072884	0	41	-1.0	-50.03	326.54	2.61	-47.42
CC(C)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072885	0	41	-1.0	-50.09	324.59	2.51	-47.58
CC1(CNC(=O)C(N)=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072886	0	36	-1.0	-50.40	300.39	-2.82	-53.22
C=CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072887	0	39	-1.0	-50.51	317.95	2.39	-48.12
CC1(CNC(=O)CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072888	0	36	-1.0	-54.36	295.51	-1.07	-55.43
CC(O)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072889	0	39	-1.0	-54.00	315.38	-0.27	-54.27
CC1(CNC(=O)CCF)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072890	0	38	-1.0	-49.20	311.63	1.99	-47.21
C[C@@H](O)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072891	0	39	-1.0	-52.21	315.30	-0.29	-52.50
C[C@H](O)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072892	0	39	-1.0	-54.13	316.13	-0.30	-54.43
CC=CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072893	0	39	-1.0	-50.40	318.62	2.46	-47.94
COCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072894	0	39	-1.0	-51.71	320.40	1.21	-50.50
CCCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072895	0	41	-1.0	-48.31	328.71	2.59	-45.72
CC(C)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072896	0	41	-1.0	-48.83	326.05	2.31	-46.52
CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072897	0	38	-1.0	-48.39	307.21	1.82	-46.57
CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072898	0	35	-1.0	-48.52	285.93	1.04	-47.48
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC1	REAL250005072899	0	39	-1.0	-48.82	317.18	2.69	-46.13
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(N)=O	REAL250005072900	0	36	-1.0	-47.54	300.46	-2.78	-50.32
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CO	REAL250005072901	0	36	-1.0	-53.01	298.15	-1.07	-54.08
CC(O)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072902	0	39	-1.0	-50.44	314.26	-0.58	-51.02
CC(=O)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072903	0	37	-1.0	-46.54	307.39	1.03	-45.51
CC=CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072904	0	39	-1.0	-48.72	320.57	2.48	-46.24
C[C@H](O)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072905	0	39	-1.0	-47.81	314.10	-0.47	-48.28
C=CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072906	0	39	-1.0	-48.90	320.59	2.44	-46.46
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC#N	REAL250005072907	0	36	-1.0	-56.16	307.14	1.59	-54.57
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCF	REAL250005072908	0	38	-1.0	-47.45	313.80	1.96	-45.49
C[C@@H](O)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072909	0	39	-1.0	-59.03	310.81	-0.09	-59.12
C=CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005072910	0	36	-1.0	-48.65	298.84	1.60	-47.05
CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072911	0	36	-1.0	-46.78	294.18	1.09	-45.69
CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072912	0	33	-1.0	-47.14	273.90	0.28	-46.86
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC1	REAL250005072913	0	37	-1.0	-46.80	305.11	1.90	-44.90
COCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072914	0	37	-1.0	-49.51	306.91	0.45	-49.06
CCCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072915	0	39	-1.0	-46.59	315.68	1.86	-44.73
CC(C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072916	0	39	-1.0	-46.34	313.74	1.76	-44.58
NC(=O)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072917	0	34	-1.0	-47.65	293.34	-3.70	-51.35
C=CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072918	0	37	-1.0	-46.95	307.09	1.64	-45.31
O=C(CO)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072919	0	34	-1.0	-51.03	284.65	-1.83	-52.86
CC(O)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072920	0	37	-1.0	-50.33	304.52	-1.03	-51.36
O=C(CCF)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072921	0	36	-1.0	-46.57	300.78	1.23	-45.34
C[C@@H](O)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072922	0	37	-1.0	-47.27	305.76	-0.70	-47.97
C[C@H](O)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072923	0	37	-1.0	-47.45	305.15	-1.06	-48.51
CC=CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005072924	0	37	-1.0	-49.35	311.53	1.57	-47.78
COCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072925	0	37	-1.0	-54.12	310.15	0.68	-53.44
CCCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072926	0	39	-1.0	-50.54	318.93	2.06	-48.48
CC(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072927	0	39	-1.0	-46.67	319.75	1.64	-45.03
CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072928	0	36	-1.0	-50.72	297.43	1.29	-49.43
CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072929	0	33	-1.0	-48.26	278.92	0.25	-48.01
O=C(NC1CC2CN(C(=O)C3CC3)CC21)C1=CC(=O)[N-]O1	REAL250005072930	0	37	-1.0	-54.11	309.24	2.48	-51.63
NC(=O)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072931	0	34	-1.0	-46.35	292.96	-3.44	-49.79
O=C(CO)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072932	0	34	-1.0	-55.80	287.90	-1.60	-57.40
CC(O)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072933	0	37	-1.0	-47.59	306.82	-1.20	-48.79
CC(=O)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072934	0	35	-1.0	-45.28	300.09	0.22	-45.06
CC=CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072935	0	37	-1.0	-48.10	313.76	1.71	-46.39
C[C@H](O)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072936	0	37	-1.0	-52.43	307.68	-1.22	-53.65
C=CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072937	0	37	-1.0	-50.89	310.34	1.82	-49.07
N#CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072938	0	34	-1.0	-59.63	296.89	0.97	-58.66
O=C(CCF)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072939	0	36	-1.0	-49.28	304.02	1.43	-47.85
C[C@@H](O)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072940	0	37	-1.0	-46.80	304.19	-0.74	-47.54
C=CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005072941	0	34	-1.0	-48.31	292.04	0.82	-47.49
CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005072942	0	39	-1.0	-52.05	325.88	1.48	-50.57
CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005072943	0	36	-1.0	-60.88	305.30	0.63	-60.25
O=C(CO)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005072944	0	37	-1.0	-56.95	316.35	-1.44	-58.39
CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072945	0	39	-1.0	-50.09	327.87	1.59	-48.50
CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072946	0	36	-1.0	-50.38	307.14	0.75	-49.63
O=C(CO)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072947	0	37	-1.0	-55.02	318.33	-1.29	-56.31
C=CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072948	0	37	-1.0	-50.73	320.05	1.30	-49.43
COCC1(CNC(C)=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072949	0	39	-1.0	-53.34	311.34	1.61	-51.73
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(C)=O	REAL250005072950	0	39	-1.0	-50.28	315.23	1.78	-48.50
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072951	0	35	-1.0	-44.55	276.32	1.59	-42.96
COCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072952	0	39	-1.0	-44.42	314.32	1.07	-43.35
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072953	0	32	-1.0	-45.11	259.19	1.04	-44.07
CC1CN(C(=O)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072954	0	36	-1.0	-44.19	286.26	2.32	-41.87
CC1CN(C(=O)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072955	0	39	-1.0	-43.83	306.26	3.12	-40.71
CC1CN(C(=O)CC2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072956	0	39	-1.0	-44.53	307.50	3.25	-41.28
CC1CN(C(=O)C(C)(C)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072957	0	38	-1.0	-43.03	300.14	2.37	-40.66
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072958	0	36	-1.0	-46.91	289.05	0.97	-45.94
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072959	0	38	-1.0	-44.36	302.15	2.76	-41.60
CC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072960	0	41	-1.0	-44.00	318.87	3.37	-40.63
CC1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072961	0	39	-1.0	-43.76	306.34	3.43	-40.33
CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072962	0	39	-1.0	-46.87	310.90	1.93	-44.94
CC(C)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072963	0	39	-1.0	-43.56	304.35	2.70	-40.86
CSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072964	0	36	-1.0	-46.10	299.39	2.06	-44.04
CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072965	0	41	-1.0	-44.37	323.64	3.54	-40.83
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072966	0	38	-1.0	-43.81	295.73	2.10	-41.71
CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072967	0	41	-1.0	-43.84	318.63	3.05	-40.79
COC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072968	0	39	-1.0	-45.99	304.75	1.45	-44.54
C=CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072969	0	39	-1.0	-44.25	314.96	3.32	-40.93
CC=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072970	0	39	-1.0	-43.84	309.07	2.66	-41.18
CC1CN(C(=O)C2(C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072971	0	39	-1.0	-47.05	304.30	2.66	-44.39
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072972	0	39	-1.0	-43.95	311.69	3.28	-40.67
CCC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072973	0	38	-1.0	-46.48	303.03	2.38	-44.10
CC1CN(C(=O)CCCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072974	0	38	-1.0	-46.88	308.74	2.90	-43.98
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072975	0	39	-1.0	-44.08	311.82	3.39	-40.69
CC1CN(C(=O)C(N)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072976	0	33	-1.0	-44.48	268.82	-3.29	-47.77
CC1CN(C(=O)C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072977	0	41	-1.0	-43.39	305.61	2.20	-41.19
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072978	0	36	-1.0	-44.56	289.24	2.13	-42.43
CC1CN(C(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072979	0	41	0.0	-69.90	316.24	2.67	-67.23
CC1CN(C(=O)CN(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072979	1	40	-1.0	-44.65	309.83	-0.13	-44.78
C=CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072980	0	37	-1.0	-44.10	292.34	-0.07	-44.17
CC1CN(C(=O)C2COC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072981	0	37	-1.0	-44.68	297.36	0.33	-44.35
CO[C@H](C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072982	0	39	-1.0	-46.29	308.72	1.82	-44.47
CCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072983	0	39	-1.0	-44.24	310.15	3.04	-41.20
CC1CN(C(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072985	0	33	-1.0	-48.60	266.80	-1.31	-49.91
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072986	0	36	-1.0	-47.51	283.13	-0.80	-48.31
CC1CN(C(=O)C2CC2F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072987	0	36	-1.0	-47.28	292.67	2.40	-44.88
CC1CN(C(=O)CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072988	0	35	-1.0	-44.18	287.24	2.13	-42.05
CC1CN(C(=O)C=CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072989	0	36	-1.0	-46.10	295.24	2.40	-43.70
C#CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072990	0	37	-1.0	-44.67	307.92	3.28	-41.39
CC1CN(C(=O)C2CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072991	0	37	-1.0	-47.66	296.71	1.48	-46.18
CC1CN(C(=O)C(C)(C)O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072992	0	39	-1.0	-45.14	300.04	-1.00	-46.14
CC1=CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072993	0	37	-1.0	-44.99	301.56	3.16	-41.83
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072994	0	36	-1.0	-44.77	287.01	-0.38	-45.15
CC1CN(C(=O)C=CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072995	0	37	-1.0	-47.19	300.16	-1.08	-48.27
CC1CN(C(=O)C2=CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072996	0	37	-1.0	-44.70	296.94	3.04	-41.66
CON=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072997	0	36	-1.0	-46.01	297.69	0.10	-45.91
CC1CN(C(=O)C2(F)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072998	0	36	-1.0	-43.16	291.23	2.32	-40.84
CC=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005072999	0	36	-1.0	-43.01	291.98	2.15	-40.86
CC(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005073000	0	39	-1.0	-44.14	307.10	-1.19	-45.33
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005073001	0	36	-1.0	-51.38	287.70	-0.49	-51.87
C=C1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005073002	0	37	-1.0	-44.25	304.02	3.29	-40.96
CC(CF)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005073003	0	38	-1.0	-43.10	302.03	2.22	-40.88
C=C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005073004	0	39	-1.0	-44.30	310.85	2.78	-41.52
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005073005	0	36	-1.0	-44.54	289.06	2.28	-42.26
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005073006	0	39	-1.0	-43.95	311.69	3.28	-40.67
CC1CN(C(=O)C2(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073007	0	37	-1.0	-45.45	292.73	-0.57	-46.02
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC1	REAL250005073008	0	39	-1.0	-44.41	311.57	3.53	-40.88
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)(C)F	REAL250005073009	0	38	-1.0	-42.68	300.92	2.39	-40.29
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073010	0	36	-1.0	-45.77	289.05	0.82	-44.95
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073011	0	38	-1.0	-43.32	297.83	2.37	-40.95
CC(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073012	0	41	-1.0	-42.92	314.55	2.96	-39.96
CC1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073013	0	39	-1.0	-43.65	306.05	3.31	-40.34
CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073014	0	39	-1.0	-45.75	310.90	1.78	-43.97
CC(C)=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073015	0	39	-1.0	-42.91	304.70	2.87	-40.04
CSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073016	0	36	-1.0	-44.97	299.39	2.07	-42.90
CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073017	0	41	-1.0	-43.38	319.32	3.15	-40.23
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073018	0	38	-1.0	-42.95	292.70	2.01	-40.94
CCC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073019	0	41	-1.0	-43.57	317.88	3.13	-40.44
COC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073020	0	39	-1.0	-49.31	306.90	1.76	-47.55
C=CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073021	0	39	-1.0	-43.24	310.64	2.93	-40.31
CC(C#N)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073022	0	36	-1.0	-48.48	292.12	1.65	-46.83
CC=C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073023	0	39	-1.0	-43.47	301.40	2.50	-40.97
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073024	0	35	-1.0	-43.59	276.33	1.61	-41.98
COCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073025	0	39	-1.0	-44.26	314.37	1.08	-43.18
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073026	0	32	-1.0	-43.96	254.28	0.75	-43.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1	REAL250005073027	0	36	-1.0	-44.20	290.12	2.59	-41.61
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC1	REAL250005073028	0	39	-1.0	-43.85	306.51	3.21	-40.64
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(N)=O	REAL250005073029	0	33	-1.0	-44.03	269.11	-3.24	-47.27
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073030	0	39	-1.0	-43.90	311.48	3.28	-40.62
CCC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073031	0	38	-1.0	-43.04	302.92	2.37	-40.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCF	REAL250005073032	0	38	-1.0	-45.74	304.42	2.51	-43.23
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073033	0	39	-1.0	-43.97	311.78	3.38	-40.59
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005073034	0	33	-1.0	-47.46	266.80	-1.47	-48.93
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCO1	REAL250005073035	0	37	-1.0	-46.52	292.91	0.98	-45.54
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1COC1	REAL250005073036	0	37	-1.0	-44.59	297.26	0.33	-44.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CCO	REAL250005073037	0	37	-1.0	-46.15	299.89	-1.20	-47.35
CCC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073038	0	39	-1.0	-43.24	309.87	2.93	-40.31
C#CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073039	0	37	-1.0	-43.77	303.61	2.88	-40.89
C=CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073040	0	37	-1.0	-44.09	299.13	0.17	-43.92
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073041	0	36	-1.0	-46.55	283.49	-0.95	-47.50
CC(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073042	0	34	-1.0	-43.02	276.19	0.59	-42.43
CC=C(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073043	0	36	-1.0	-42.42	292.16	2.15	-40.27
CC(CO)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073044	0	39	-1.0	-44.02	310.21	-0.82	-44.84
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CCC1	REAL250005073045	0	37	-1.0	-44.80	296.73	2.99	-41.81
CC(CF)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073046	0	38	-1.0	-43.02	305.14	2.60	-40.42
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073047	0	36	-1.0	-43.49	288.78	2.16	-41.33
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CCF	REAL250005073048	0	36	-1.0	-44.99	294.97	2.28	-42.71
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073050	0	36	-1.0	-47.07	287.71	-0.43	-47.50
CON=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073051	0	36	-1.0	-45.14	297.67	0.12	-45.02
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073052	0	39	-1.0	-43.90	311.48	3.28	-40.62
C=C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073053	0	39	-1.0	-43.44	310.59	2.79	-40.65
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073054	0	36	-1.0	-43.60	289.24	2.14	-41.46
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL250005073055	0	41	0.0	-68.46	311.92	2.26	-66.20
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN(C)C	REAL250005073055	1	40	-1.0	-43.58	309.83	-0.12	-43.70
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC#N	REAL250005073056	0	33	-1.0	-51.38	275.79	1.29	-50.09
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1F	REAL250005073057	0	36	-1.0	-43.37	297.27	2.83	-40.54
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCF	REAL250005073058	0	35	-1.0	-44.06	287.29	2.14	-41.92
CO[C@H](C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073059	0	39	-1.0	-46.16	308.70	1.82	-44.34
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073060	0	36	-1.0	-44.56	286.70	-0.50	-45.06
C=C1CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073061	0	37	-1.0	-44.21	304.04	3.30	-40.91
CC1=CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073062	0	37	-1.0	-44.83	305.41	3.43	-41.40
C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073063	0	33	-1.0	-43.83	267.06	1.29	-42.54
CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073064	0	38	-1.0	-50.19	297.11	1.29	-48.90
CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073065	0	35	-1.0	-50.25	276.80	0.48	-49.77
CC1(NC(=O)C2CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073066	0	39	-1.0	-50.50	307.67	2.07	-48.43
COCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073067	0	39	-1.0	-53.73	309.83	0.52	-53.21
CCCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073068	0	41	-1.0	-50.17	318.61	2.05	-48.12
CC(C)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073069	0	41	-1.0	-50.27	316.66	1.95	-48.32
CC1(NC(=O)C(N)=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073070	0	36	-1.0	-50.43	292.45	-3.37	-53.80
C=CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073071	0	39	-1.0	-49.97	310.02	1.83	-48.14
CC1(NC(=O)CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073072	0	36	-1.0	-54.85	287.58	-1.77	-56.62
CC(O)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073073	0	39	-1.0	-52.64	307.91	-0.99	-53.63
CC1(NC(=O)CCF)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073074	0	38	-1.0	-49.28	303.70	1.43	-47.85
C[C@@H](O)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073075	0	39	-1.0	-52.61	307.91	-0.99	-53.60
C[C@H](O)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073076	0	39	-1.0	-52.60	307.70	-1.08	-53.68
CC=CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073077	0	39	-1.0	-50.71	310.67	1.90	-48.81
COCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073078	0	39	-1.0	-60.81	312.71	0.86	-59.95
CCCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073079	0	41	-1.0	-56.71	321.42	2.25	-54.46
CC(C)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073080	0	41	-1.0	-48.99	321.32	2.18	-46.81
CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073081	0	38	-1.0	-56.65	299.97	1.47	-55.18
CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073082	0	35	-1.0	-56.58	279.68	0.70	-55.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC2)C1	REAL250005073083	0	39	-1.0	-48.80	311.27	2.37	-46.43
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(N)=O)C1	REAL250005073084	0	36	-1.0	-50.40	292.79	-3.32	-53.72
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CO)C1	REAL250005073085	0	36	-1.0	-62.25	290.46	-1.42	-63.67
CC(O)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073086	0	39	-1.0	-54.57	308.72	-0.74	-55.31
CC(=O)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073087	0	37	-1.0	-50.77	299.30	0.49	-50.28
CC=CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073088	0	39	-1.0	-57.54	312.49	2.07	-55.47
C[C@H](O)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073089	0	39	-1.0	-50.81	307.87	-0.74	-51.55
C=CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073090	0	39	-1.0	-57.34	312.90	2.01	-55.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC#N)C1	REAL250005073091	0	36	-1.0	-66.02	299.46	1.16	-64.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCF)C1	REAL250005073092	0	38	-1.0	-54.52	306.51	1.62	-52.90
C[C@@H](O)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073093	0	39	-1.0	-53.50	308.20	-0.76	-54.26
C=CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073094	0	36	-1.0	-57.25	290.77	1.19	-56.06
CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073095	0	35	-1.0	-59.05	292.05	0.57	-58.48
CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073096	0	32	-1.0	-59.17	271.76	-0.25	-59.42
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005073097	0	36	-1.0	-58.76	302.54	1.34	-57.42
CCCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073098	0	38	-1.0	-58.73	313.74	1.44	-57.29
CC(C)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073099	0	38	-1.0	-58.55	311.86	1.34	-57.21
C=CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073100	0	36	-1.0	-59.13	304.97	1.11	-58.02
O=C(CO)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073101	0	33	-1.0	-64.47	282.72	-2.24	-66.71
CC=CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073102	0	36	-1.0	-58.76	305.82	1.29	-57.47
CCCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073103	0	38	-1.0	-53.03	316.65	1.61	-51.42
CC(C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073104	0	38	-1.0	-52.42	313.48	1.32	-51.10
CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073105	0	35	-1.0	-57.36	295.15	0.86	-56.50
CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073106	0	32	-1.0	-48.81	273.14	-0.02	-48.83
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005073107	0	36	-1.0	-53.18	305.11	1.57	-51.61
O=C(CO)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073108	0	33	-1.0	-62.84	285.59	-2.04	-64.88
CC(=O)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073109	0	34	-1.0	-51.42	294.88	-0.14	-51.56
CC=CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073110	0	36	-1.0	-48.62	307.65	1.44	-47.18
C=CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073111	0	36	-1.0	-57.18	308.05	1.40	-55.78
N#CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073112	0	33	-1.0	-66.14	294.58	0.54	-65.60
C=CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073113	0	33	-1.0	-49.18	285.93	0.55	-48.63
CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073114	0	36	-1.0	-55.78	308.97	-2.66	-58.44
CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073115	0	33	-1.0	-55.90	288.38	-3.46	-59.36
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005073116	0	37	-1.0	-55.59	319.49	-1.89	-57.48
COCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073117	0	37	-1.0	-59.23	321.69	-3.30	-62.53
CCCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073118	0	39	-1.0	-55.59	330.47	-1.89	-57.48
CC(C)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073119	0	39	-1.0	-55.39	328.51	-1.99	-57.38
NC(=O)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073120	0	34	-1.0	-53.63	304.32	-7.33	-60.96
C=CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073121	0	37	-1.0	-55.93	321.88	-2.12	-58.05
O=C(CO)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073122	0	34	-1.0	-60.85	299.44	-5.58	-66.43
CC(O)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073123	0	37	-1.0	-56.81	319.76	-4.78	-61.59
C[C@@H](O)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073124	0	37	-1.0	-56.85	319.77	-4.79	-61.64
C[C@H](O)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073125	0	37	-1.0	-56.64	319.76	-4.79	-61.43
CC=CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073126	0	37	-1.0	-55.70	322.55	-2.05	-57.75
COCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073127	0	37	-1.0	-54.43	323.42	-3.18	-57.61
CCCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073128	0	39	-1.0	-50.84	332.24	-1.77	-52.61
CC(C)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073129	0	39	-1.0	-51.04	327.93	-2.14	-53.18
CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073130	0	36	-1.0	-51.06	310.74	-2.53	-53.59
CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073131	0	33	-1.0	-51.27	289.42	-3.42	-54.69
O=C(NCCC1(O)CN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005073132	0	37	-1.0	-51.18	321.23	-1.77	-52.95
NC(=O)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073133	0	34	-1.0	-50.53	304.13	-7.30	-57.83
O=C(CO)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073134	0	34	-1.0	-56.04	301.17	-5.46	-61.50
CC(O)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073135	0	37	-1.0	-51.57	317.21	-4.83	-56.40
CC(=O)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073136	0	35	-1.0	-49.86	310.84	-3.53	-53.39
CC=CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073137	0	37	-1.0	-51.42	324.33	-1.97	-53.39
C[C@H](O)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073138	0	37	-1.0	-52.09	319.31	-4.81	-56.90
C=CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073139	0	37	-1.0	-51.31	323.62	-2.04	-53.35
N#CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073140	0	34	-1.0	-58.66	310.16	-2.89	-61.55
C[C@@H](O)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073141	0	37	-1.0	-55.44	317.56	-4.84	-60.28
C=CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073142	0	34	-1.0	-51.51	302.60	-2.84	-54.35
CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073143	0	36	-1.0	-57.47	292.25	-0.87	-58.34
CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073144	0	33	-1.0	-56.73	272.87	-1.60	-58.33
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005073145	0	37	-1.0	-58.21	302.82	-0.09	-58.30
COCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073146	0	37	-1.0	-61.04	304.97	-1.50	-62.54
CCCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073147	0	39	-1.0	-57.46	313.75	-0.10	-57.56
CC(C)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073148	0	39	-1.0	-57.06	313.06	-0.13	-57.19
NC(=O)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073149	0	34	-1.0	-53.23	287.59	-5.53	-58.76
C=CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073150	0	37	-1.0	-58.04	305.16	-0.33	-58.37
O=C(CO)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073151	0	34	-1.0	-62.63	282.72	-3.79	-66.42
CC(O)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073152	0	37	-1.0	-58.38	304.27	-2.95	-61.33
C[C@@H](O)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073153	0	37	-1.0	-56.78	303.07	-3.03	-59.81
C[C@H](O)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073154	0	37	-1.0	-61.92	304.60	-2.96	-64.88
CC=CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073155	0	37	-1.0	-57.79	305.82	-0.26	-58.05
COCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073156	0	37	-1.0	-51.32	307.95	-0.78	-52.10
CCCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073157	0	39	-1.0	-53.12	318.40	0.18	-52.94
CC(C)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073158	0	39	-1.0	-46.07	314.78	0.33	-45.74
CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073159	0	36	-1.0	-48.49	295.23	-0.16	-48.65
CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073160	0	33	-1.0	-48.53	274.99	-0.97	-49.50
O=C(NC1COCCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005073161	0	37	-1.0	-47.98	306.65	0.11	-47.87
NC(=O)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073162	0	34	-1.0	-45.27	287.60	-4.71	-49.98
O=C(CO)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073163	0	34	-1.0	-53.06	285.69	-3.06	-56.12
CC(O)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073164	0	37	-1.0	-53.03	304.44	-2.96	-55.99
CC(=O)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073165	0	35	-1.0	-48.57	295.09	-1.44	-50.01
CC=CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073166	0	37	-1.0	-48.32	309.69	0.48	-47.84
C[C@H](O)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073167	0	37	-1.0	-47.56	303.69	-2.50	-50.06
C=CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073168	0	37	-1.0	-48.45	308.14	0.37	-48.08
N#CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073169	0	34	-1.0	-57.26	294.69	-0.48	-57.74
C[C@@H](O)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073170	0	37	-1.0	-46.79	303.64	-2.51	-49.30
C=CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073171	0	34	-1.0	-48.53	287.97	-0.40	-48.93
CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073172	0	36	-1.0	-49.10	303.38	1.83	-47.27
CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073173	0	33	-1.0	-49.32	281.41	0.94	-48.38
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC1)C2	REAL250005073174	0	37	-1.0	-56.49	311.82	2.53	-53.96
COCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073175	0	37	-1.0	-52.07	316.10	1.22	-50.85
CCCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073176	0	39	-1.0	-48.92	324.88	2.59	-46.33
CC(C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073177	0	39	-1.0	-55.77	322.92	2.37	-53.40
NC(=O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073178	0	34	-1.0	-49.27	295.67	-2.89	-52.16
C=CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073179	0	37	-1.0	-49.15	316.29	2.37	-46.78
O=C(CO)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073180	0	34	-1.0	-53.62	293.85	-1.06	-54.68
CC(O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073181	0	37	-1.0	-49.19	309.55	-0.49	-49.68
O=C(CCF)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073182	0	36	-1.0	-48.52	309.97	1.97	-46.55
C[C@@H](O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073183	0	37	-1.0	-49.14	308.79	-0.52	-49.66
C[C@H](O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073184	0	37	-1.0	-61.01	307.81	-0.59	-61.60
CC=CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073185	0	37	-1.0	-56.23	315.99	2.43	-53.80
COCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073186	0	37	-1.0	-51.91	313.84	1.21	-50.70
CCCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073187	0	39	-1.0	-48.61	322.62	2.57	-46.04
CC(C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073188	0	39	-1.0	-52.06	321.14	2.30	-49.76
CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073189	0	36	-1.0	-48.79	301.12	1.81	-46.98
CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073190	0	33	-1.0	-52.88	280.86	0.97	-51.91
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC3)C2)C1	REAL250005073191	0	37	-1.0	-54.88	312.71	2.60	-52.28
NC(=O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073192	0	34	-1.0	-50.67	294.40	-3.01	-53.68
O=C(CO)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073193	0	34	-1.0	-57.58	291.64	-1.11	-58.69
CC(O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073194	0	37	-1.0	-54.00	309.72	-0.51	-54.51
CC(=O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073195	0	35	-1.0	-49.73	301.32	0.80	-48.93
CC=CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073196	0	37	-1.0	-52.75	314.60	2.37	-50.38
C[C@H](O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073197	0	37	-1.0	-49.82	309.37	-0.46	-50.28
C=CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073198	0	37	-1.0	-48.98	314.03	2.35	-46.63
N#CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073199	0	34	-1.0	-61.32	300.63	1.46	-59.86
O=C(CCF)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073200	0	36	-1.0	-48.18	307.71	1.96	-46.22
C[C@@H](O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073201	0	37	-1.0	-52.90	307.67	-0.49	-53.39
C=CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073202	0	34	-1.0	-52.87	292.83	1.47	-51.40
CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073203	0	37	-1.0	-47.05	310.76	-0.53	-47.58
CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073204	0	34	-1.0	-47.42	290.48	-1.38	-48.80
O=C(CO)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073205	0	35	-1.0	-51.00	301.23	-3.45	-54.45
CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL250005073206	0	37	-1.0	-46.32	312.60	-0.38	-46.70
CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL250005073207	0	34	-1.0	-46.70	291.01	-1.27	-47.97
O=C(CO)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL250005073208	0	35	-1.0	-50.51	303.86	-3.29	-53.80
C=CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL250005073209	0	35	-1.0	-46.92	304.56	-0.72	-47.64
CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005073210	0	39	-1.0	-49.69	298.72	3.14	-46.55
CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005073211	0	36	-1.0	-50.03	278.62	2.35	-47.68
O=C(CO)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005073212	0	37	-1.0	-54.28	289.23	0.21	-54.07
CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005073213	0	39	-1.0	-46.64	302.30	3.28	-43.36
CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005073214	0	36	-1.0	-46.88	279.86	2.40	-44.48
O=C(CO)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005073215	0	37	-1.0	-51.18	292.62	0.40	-50.78
C=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005073216	0	37	-1.0	-46.79	292.64	2.96	-43.83
CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005073217	0	39	-1.0	-50.34	317.27	1.68	-48.66
CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073218	0	39	-1.0	-49.84	320.19	1.92	-47.92
CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073219	0	36	-1.0	-52.33	302.92	-2.74	-55.07
CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073220	0	33	-1.0	-50.17	283.95	-3.58	-53.75
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC1	REAL250005073221	0	37	-1.0	-49.68	314.77	-2.01	-51.69
COCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073222	0	37	-1.0	-55.41	315.64	-3.38	-58.79
CCCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073223	0	39	-1.0	-52.03	324.43	-1.98	-54.01
CC(C)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073224	0	39	-1.0	-49.39	323.37	-2.05	-51.44
NC(=O)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073225	0	34	-1.0	-51.33	298.24	-7.40	-58.73
C=CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073226	0	37	-1.0	-52.32	315.80	-2.20	-54.52
O=C(CO)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073227	0	34	-1.0	-56.93	293.39	-5.66	-62.59
CC(O)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073228	0	37	-1.0	-52.73	314.08	-4.94	-57.67
C[C@@H](O)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073229	0	37	-1.0	-50.86	315.06	-4.90	-55.76
C[C@H](O)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073230	0	37	-1.0	-50.31	315.06	-4.90	-55.21
CC=CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005073231	0	37	-1.0	-49.90	317.83	-2.16	-52.06
COCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073232	0	37	-1.0	-57.82	319.44	-3.16	-60.98
CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073233	0	39	-1.0	-54.20	328.22	-1.78	-55.98
CC(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073234	0	39	-1.0	-55.61	321.12	-2.27	-57.88
CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073235	0	36	-1.0	-54.34	306.72	-2.55	-56.89
CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073236	0	33	-1.0	-54.41	284.75	-3.44	-57.85
O=C(NC[C@H]1CN(C(=O)C2CC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL250005073237	0	37	-1.0	-54.22	316.87	-1.85	-56.07
NC(=O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073238	0	34	-1.0	-50.90	298.36	-7.28	-58.18
O=C(CO)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073239	0	34	-1.0	-61.04	296.31	-5.48	-66.52
CC(O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073240	0	37	-1.0	-60.66	313.33	-4.93	-65.59
CC(=O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073241	0	35	-1.0	-50.73	305.29	-3.48	-54.21
CC=CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073242	0	37	-1.0	-56.02	318.52	-2.05	-58.07
C[C@H](O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073243	0	37	-1.0	-55.67	313.07	-4.93	-60.60
C=CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073244	0	37	-1.0	-54.33	319.63	-2.00	-56.33
N#CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073245	0	34	-1.0	-64.71	305.30	-2.92	-67.63
C[C@@H](O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073246	0	37	-1.0	-49.05	313.34	-4.95	-54.00
C=CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073247	0	34	-1.0	-56.04	296.79	-2.92	-58.96
CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073248	0	39	-1.0	-50.41	304.60	2.71	-47.70
CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073249	0	36	-1.0	-50.45	282.66	1.71	-48.74
O=C(CO)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073250	0	37	-1.0	-54.57	295.14	-0.31	-54.88
CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073251	0	39	-1.0	-58.13	305.70	3.60	-54.53
CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073252	0	36	-1.0	-55.34	282.63	1.83	-53.51
O=C(CO)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073253	0	37	-1.0	-60.90	295.20	-0.41	-61.31
C=CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073254	0	37	-1.0	-58.21	296.33	3.29	-54.92
CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073255	0	39	-1.0	-50.46	314.63	2.60	-47.86
CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073256	0	39	-1.0	-49.42	315.48	2.52	-46.90
CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073257	0	35	-1.0	-51.87	293.24	0.69	-51.18
CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073258	0	32	-1.0	-52.09	272.91	-0.12	-52.21
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005073259	0	36	-1.0	-51.51	303.76	1.46	-50.05
CCCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073260	0	38	-1.0	-51.72	314.74	1.45	-50.27
CC(C)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073261	0	38	-1.0	-51.47	312.54	1.26	-50.21
C=CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073262	0	36	-1.0	-52.01	306.15	1.23	-50.78
O=C(CO)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073263	0	33	-1.0	-57.09	283.71	-2.23	-59.32
CC=CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073264	0	36	-1.0	-51.59	306.74	1.30	-50.29
CCCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073265	0	38	-1.0	-48.34	317.58	1.63	-46.71
CC(C)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073266	0	38	-1.0	-47.86	314.41	1.35	-46.51
CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073267	0	35	-1.0	-51.38	296.09	0.89	-50.49
CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073268	0	32	-1.0	-44.35	274.07	0.02	-44.33
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005073269	0	36	-1.0	-48.23	306.05	1.60	-46.63
O=C(CO)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073270	0	33	-1.0	-56.54	286.55	-2.01	-58.55
CC(=O)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073271	0	34	-1.0	-50.33	300.77	-0.06	-50.39
CC=CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073272	0	36	-1.0	-51.19	308.55	1.46	-49.73
C=CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073273	0	36	-1.0	-51.37	308.99	1.43	-49.94
N#CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073274	0	33	-1.0	-60.63	295.55	0.57	-60.06
C=CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073275	0	33	-1.0	-51.30	286.83	0.57	-50.73
CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073276	0	41	-1.0	-51.06	327.56	1.69	-49.37
CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073277	0	41	-1.0	-49.82	329.07	1.96	-47.86
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073278	0	38	-1.0	-45.72	303.75	1.61	-44.11
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073279	0	35	-1.0	-46.14	284.31	0.90	-45.24
CC1(C)C(NC(=O)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073280	0	39	-1.0	-45.36	314.83	2.36	-43.00
COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073281	0	39	-1.0	-48.21	316.48	0.97	-47.24
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073282	0	41	-1.0	-45.50	325.25	2.38	-43.12
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073283	0	41	-1.0	-46.59	323.00	2.17	-44.42
CC1(C)C(NC(=O)C(N)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073284	0	36	-1.0	-46.12	298.79	-3.16	-49.28
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073285	0	39	-1.0	-45.77	316.67	2.16	-43.61
CC1(C)C(NC(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073286	0	36	-1.0	-51.09	295.39	-1.11	-52.20
CC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073287	0	39	-1.0	-46.24	314.48	-0.54	-46.78
CC1(C)C(NC(=O)CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073288	0	38	-1.0	-46.81	311.51	1.95	-44.86
C[C@@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073289	0	39	-1.0	-46.48	314.58	-0.55	-47.03
C[C@H](O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073290	0	39	-1.0	-46.18	314.55	-0.53	-46.71
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073291	0	39	-1.0	-46.93	317.02	2.12	-44.81
COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073292	0	39	-1.0	-47.77	319.53	1.01	-46.76
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073293	0	41	-1.0	-44.77	328.30	2.47	-42.30
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073294	0	41	-1.0	-44.46	323.09	2.15	-42.31
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073295	0	38	-1.0	-44.97	306.81	1.70	-43.27
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073296	0	35	-1.0	-45.39	286.50	0.90	-44.49
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1	REAL250005073297	0	39	-1.0	-45.23	316.96	2.34	-42.89
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(N)=O	REAL250005073298	0	36	-1.0	-44.13	299.30	-2.98	-47.11
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005073299	0	36	-1.0	-49.35	297.28	-1.27	-50.62
CC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073300	0	39	-1.0	-48.90	313.32	-0.76	-49.66
CC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073301	0	37	-1.0	-43.18	306.13	0.84	-42.34
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073302	0	39	-1.0	-45.02	319.44	2.26	-42.76
C[C@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073303	0	39	-1.0	-45.28	312.97	-0.75	-46.03
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073304	0	39	-1.0	-45.14	319.72	2.24	-42.90
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC#N	REAL250005073305	0	36	-1.0	-53.02	306.27	1.39	-51.63
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCF	REAL250005073306	0	38	-1.0	-44.29	313.40	1.84	-42.45
C[C@@H](O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073307	0	39	-1.0	-46.07	313.41	-0.68	-46.75
C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005073308	0	36	-1.0	-45.20	297.72	1.38	-43.82
CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073309	0	36	-1.0	-50.03	297.60	0.43	-49.60
CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005073310	0	36	-1.0	-48.36	299.05	0.84	-47.52
CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073311	0	38	-1.0	-43.24	297.22	2.09	-41.15
CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073312	0	35	-1.0	-43.59	276.89	1.13	-42.46
C[C@@H]1[C@H](NC(=O)C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073313	0	39	-1.0	-43.44	307.86	2.84	-40.60
COCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073314	0	39	-1.0	-45.50	310.03	1.46	-44.04
CCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073315	0	41	-1.0	-43.04	318.69	2.86	-40.18
CC(C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073316	0	41	-1.0	-43.02	316.85	2.77	-40.25
C[C@@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073317	0	36	-1.0	-48.74	292.55	-2.72	-51.46
C=CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073318	0	39	-1.0	-43.35	310.22	2.64	-40.71
C[C@@H]1[C@H](NC(=O)CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073319	0	36	-1.0	-46.82	287.78	-0.82	-47.64
CC(O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073320	0	39	-1.0	-46.06	308.40	-0.21	-46.27
C[C@@H]1[C@H](NC(=O)CCF)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073321	0	38	-1.0	-43.15	303.78	2.23	-40.92
C[C@@H](O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073322	0	39	-1.0	-43.79	308.14	-0.08	-43.87
C[C@H](O)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073323	0	39	-1.0	-43.71	308.14	-0.07	-43.78
CC=CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073324	0	39	-1.0	-43.96	310.91	2.69	-41.27
COCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073325	0	39	-1.0	-52.07	313.03	1.51	-50.56
CCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073326	0	41	-1.0	-47.95	321.95	3.03	-44.92
CC(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073327	0	41	-1.0	-48.55	315.91	2.69	-45.86
CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073328	0	38	-1.0	-48.69	300.31	2.30	-46.39
CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073329	0	35	-1.0	-48.27	280.15	1.49	-46.78
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC1	REAL250005073330	0	39	-1.0	-47.87	310.45	2.99	-44.88
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(N)=O	REAL250005073331	0	36	-1.0	-45.69	293.05	-2.55	-48.24
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CO	REAL250005073332	0	36	-1.0	-53.54	290.78	-0.77	-54.31
CC(O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073333	0	39	-1.0	-48.40	307.57	-0.21	-48.61
CC(=O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073334	0	37	-1.0	-44.96	300.43	1.26	-43.70
CC=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073335	0	39	-1.0	-48.74	312.86	2.85	-45.89
C[C@H](O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073336	0	39	-1.0	-48.43	307.05	-0.26	-48.69
C=CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073337	0	39	-1.0	-47.92	313.34	2.80	-45.12
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC#N	REAL250005073338	0	36	-1.0	-58.28	299.77	1.98	-56.30
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCF	REAL250005073339	0	38	-1.0	-47.39	307.05	2.41	-44.98
C[C@@H](O)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073340	0	39	-1.0	-50.54	307.12	-0.25	-50.79
C=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073341	0	36	-1.0	-48.86	291.23	1.97	-46.89
CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL250005073342	0	39	-1.0	-50.00	295.43	3.12	-46.88
CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005073343	0	39	-1.0	-47.07	298.82	3.27	-43.80
CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073344	0	41	-1.0	-47.70	306.44	2.20	-45.50
CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073345	0	38	-1.0	-48.20	286.67	1.43	-46.77
O=C(CO)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073346	0	39	-1.0	-51.73	296.90	-0.72	-52.45
CCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073347	0	41	-1.0	-49.05	312.23	2.51	-46.54
CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073348	0	38	-1.0	-55.05	291.90	1.63	-53.42
O=C(CO)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073349	0	39	-1.0	-60.53	303.59	-0.46	-60.99
C=CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073350	0	39	-1.0	-55.15	304.24	2.15	-53.00
CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073351	0	37	-1.0	-56.80	308.91	-1.86	-58.66
CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL250005073352	0	37	-1.0	-57.34	306.71	-1.85	-59.19
CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073353	0	39	-1.0	-48.43	313.18	1.57	-46.86
CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073354	0	36	-1.0	-48.64	292.59	0.76	-47.88
O=C(CO)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073355	0	37	-1.0	-59.17	304.52	-1.31	-60.48
CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073356	0	39	-1.0	-49.88	316.83	1.71	-48.17
CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073357	0	36	-1.0	-49.96	294.50	0.83	-49.13
O=C(CO)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073358	0	37	-1.0	-55.73	307.22	-1.12	-56.85
C=CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073359	0	37	-1.0	-50.16	307.82	1.39	-48.77
CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073360	0	39	-1.0	-52.94	302.65	2.65	-50.29
CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073361	0	39	-1.0	-50.32	303.93	2.34	-47.98
CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073362	0	36	-1.0	-48.14	298.03	0.96	-47.18
CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073363	0	33	-1.0	-48.43	277.44	0.15	-48.28
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL250005073364	0	37	-1.0	-46.91	310.35	2.07	-44.84
COCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073365	0	37	-1.0	-49.90	312.65	0.53	-49.37
CCCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073366	0	39	-1.0	-47.93	319.53	1.72	-46.21
CC(C)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073367	0	39	-1.0	-46.53	319.27	1.99	-44.54
NC(=O)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073368	0	34	-1.0	-48.06	295.07	-3.36	-51.42
C=CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073369	0	37	-1.0	-48.26	310.94	1.50	-46.76
O=C(CO)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073370	0	34	-1.0	-52.65	288.50	-2.12	-54.77
CC(O)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073371	0	37	-1.0	-48.04	310.52	-0.99	-49.03
O=C(CCF)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073372	0	36	-1.0	-47.69	304.62	1.09	-46.60
C[C@@H](O)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073373	0	37	-1.0	-47.57	310.50	-1.00	-48.57
C[C@H](O)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073374	0	37	-1.0	-48.03	310.59	-1.02	-49.05
CC=CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073375	0	37	-1.0	-46.98	313.29	1.94	-45.04
COCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073376	0	37	-1.0	-52.81	314.57	0.84	-51.97
CCCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073377	0	39	-1.0	-49.43	323.34	2.20	-47.23
CC(C)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073378	0	39	-1.0	-49.38	318.78	1.86	-47.52
CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073379	0	36	-1.0	-49.61	301.85	1.43	-48.18
CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073380	0	33	-1.0	-49.77	280.28	0.56	-49.21
O=C(NC1(C2CN(C(=O)C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL250005073381	0	37	-1.0	-49.55	312.46	2.20	-47.35
NC(=O)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073382	0	34	-1.0	-47.84	294.99	-3.33	-51.17
O=C(CO)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073383	0	34	-1.0	-55.64	290.42	-1.80	-57.44
CC(O)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073384	0	37	-1.0	-49.50	310.31	-0.84	-50.34
CC(=O)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073385	0	35	-1.0	-47.00	302.39	0.48	-46.52
CC=CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073386	0	37	-1.0	-49.39	315.15	2.01	-47.38
C[C@H](O)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073387	0	37	-1.0	-49.82	310.26	-0.84	-50.66
C=CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073388	0	37	-1.0	-49.55	314.76	1.97	-47.58
N#CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073389	0	34	-1.0	-59.60	299.41	0.77	-58.83
O=C(CCF)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073390	0	36	-1.0	-48.58	308.44	1.58	-47.00
C[C@@H](O)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073391	0	37	-1.0	-50.86	308.06	-0.86	-51.72
C=CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073392	0	34	-1.0	-49.92	293.45	1.14	-48.78
CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073393	0	39	-1.0	-50.39	289.19	2.44	-47.95
CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005073394	0	39	-1.0	-52.95	288.52	2.33	-50.62
CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073395	0	37	-1.0	-50.73	295.60	0.15	-50.58
CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL250005073396	0	37	-1.0	-53.38	296.80	0.14	-53.24
CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073397	0	41	-1.0	-50.35	319.15	1.91	-48.44
CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005073398	0	38	-1.0	-50.60	298.56	1.11	-49.49
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CO	REAL250005073399	0	39	-1.0	-55.06	309.62	-1.01	-56.07
CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005073400	0	41	-1.0	-47.00	322.31	2.21	-44.79
CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005073401	0	38	-1.0	-47.43	302.00	1.44	-45.99
CC1CN(C(=O)CO)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073402	0	39	-1.0	-51.60	312.78	-0.68	-52.28
C=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005073403	0	39	-1.0	-47.50	313.09	1.91	-45.59
CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL250005073404	0	37	-1.0	-52.31	315.37	-1.07	-53.38
CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005073405	0	37	-1.0	-49.95	316.09	-0.96	-50.91
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL250005073406	0	39	-1.0	-46.18	303.22	2.10	-44.08
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL250005073407	0	39	-1.0	-45.01	309.89	2.23	-42.78
CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073408	0	39	-1.0	-46.57	310.84	1.77	-44.80
CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073409	0	39	-1.0	-48.53	312.43	1.87	-46.66
CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005073410	0	41	-1.0	-63.47	306.78	2.26	-61.21
CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005073411	0	38	-1.0	-63.17	286.19	1.45	-61.72
O=C(CO)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005073412	0	39	-1.0	-69.55	297.25	-0.66	-70.21
CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005073413	0	41	-1.0	-55.12	312.42	2.55	-52.57
CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005073414	0	38	-1.0	-55.18	291.25	1.72	-53.46
O=C(CO)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005073415	0	39	-1.0	-60.17	303.32	-0.38	-60.55
C=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005073416	0	39	-1.0	-51.64	302.13	2.17	-49.47
CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073417	0	35	-1.0	-49.32	298.92	0.43	-48.89
COCCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073418	0	39	-1.0	-49.62	332.58	-0.41	-50.03
CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073419	0	32	-1.0	-49.95	278.59	-0.29	-50.24
C[C@@H](NC(=O)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073420	0	36	-1.0	-49.15	309.42	1.19	-47.96
C[C@@H](NC(=O)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073421	0	39	-1.0	-49.07	327.01	1.84	-47.23
C[C@@H](NC(=O)CC1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073422	0	39	-1.0	-49.71	329.60	2.03	-47.68
C[C@@H](NC(=O)C(C)(C)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073423	0	38	-1.0	-47.32	325.74	1.10	-46.22
COCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073424	0	36	-1.0	-52.60	311.63	-0.12	-52.72
CCCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073425	0	38	-1.0	-49.42	320.40	1.28	-48.14
CC(C)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073426	0	41	-1.0	-48.95	337.13	1.87	-47.08
C[C@@H](NC(=O)C1CC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073427	0	39	-1.0	-49.39	331.77	2.07	-47.32
CCOCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073428	0	39	-1.0	-52.65	333.48	0.84	-51.81
CC(C)=CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073429	0	39	-1.0	-48.53	328.38	1.75	-46.78
CSCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073430	0	36	-1.0	-51.81	321.97	0.94	-50.87
CCCCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073431	0	41	-1.0	-49.49	341.90	2.06	-47.43
CC(C)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073432	0	38	-1.0	-48.91	318.46	1.10	-47.81
CCC(C)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073433	0	41	-1.0	-48.89	336.59	1.75	-47.14
COC(C)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073434	0	39	-1.0	-51.98	331.43	0.51	-51.47
C=CCCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073435	0	39	-1.0	-49.52	333.22	1.83	-47.69
CC=C(C)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073436	0	39	-1.0	-49.68	327.23	1.82	-47.86
C[C@@H](NC(=O)C1(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073437	0	39	-1.0	-48.94	327.17	1.80	-47.14
C[C@@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073438	0	39	-1.0	-49.12	332.16	2.00	-47.12
CCC(F)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073439	0	38	-1.0	-50.97	326.68	1.33	-49.64
C[C@@H](NC(=O)CCCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073440	0	38	-1.0	-51.90	327.00	1.42	-50.48
C[C@@H](NC(=O)[C@H]1C[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073441	0	39	-1.0	-49.32	330.80	1.95	-47.37
C[C@@H](NC(=O)C(N)=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073442	0	33	-1.0	-49.42	294.26	-4.23	-53.65
C[C@@H](NC(=O)C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073443	0	41	-1.0	-48.81	337.33	1.67	-47.14
C=CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073444	0	36	-1.0	-49.89	311.82	1.06	-48.83
C[C@@H](NC(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073445	0	41	0.0	-71.16	334.49	1.23	-69.93
C[C@@H](NC(=O)CN(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073445	1	40	-1.0	-49.88	332.41	-1.14	-51.02
C=CC(O)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073446	0	37	-1.0	-49.74	320.25	-0.89	-50.63
C[C@@H](NC(=O)C1COC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073447	0	37	-1.0	-50.04	316.07	-0.93	-50.97
CO[C@H](C)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073448	0	39	-1.0	-52.52	331.17	0.58	-51.94
CCC=CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073449	0	39	-1.0	-49.23	333.58	1.82	-47.41
C[C@@H](NC(=O)CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073451	0	33	-1.0	-54.18	289.38	-2.40	-56.58
CC(O)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073452	0	36	-1.0	-49.89	309.71	-1.70	-51.59
C[C@@H](NC(=O)C1CC1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073453	0	36	-1.0	-49.53	316.23	1.37	-48.16
C[C@@H](NC(=O)CCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073454	0	35	-1.0	-49.14	305.50	0.66	-48.48
C[C@@H](NC(=O)C=CCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073455	0	36	-1.0	-51.52	318.67	1.17	-50.35
C#CCCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073456	0	37	-1.0	-49.81	326.19	1.80	-48.01
C[C@@H](NC(=O)C1CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073457	0	37	-1.0	-53.61	317.81	0.03	-53.58
C[C@@H](NC(=O)C(C)(C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073458	0	39	-1.0	-48.31	329.40	-2.15	-50.46
CC1=CC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073459	0	37	-1.0	-49.74	324.45	1.91	-47.83
C[C@@H](O)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073460	0	36	-1.0	-50.14	309.44	-1.62	-51.76
C[C@@H](NC(=O)C=CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073461	0	37	-1.0	-52.71	323.59	-2.31	-55.02
C[C@@H](NC(=O)C1=CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073462	0	37	-1.0	-50.11	319.39	1.81	-48.30
CON=CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073463	0	36	-1.0	-52.41	321.77	-0.96	-53.37
C[C@@H](NC(=O)C1(F)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073464	0	36	-1.0	-47.55	317.18	1.37	-46.18
CC=C(F)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073465	0	36	-1.0	-47.58	317.46	1.12	-46.46
CC(CO)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073466	0	39	-1.0	-49.48	329.05	-2.19	-51.67
C[C@@H](NC(=O)[C@H](C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073467	0	36	-1.0	-50.86	309.44	-1.63	-52.49
C=C1CC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073468	0	37	-1.0	-49.46	323.00	1.86	-47.60
CC(CF)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073469	0	38	-1.0	-48.37	324.26	1.22	-47.15
C=C(C)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073470	0	39	-1.0	-49.47	333.43	1.71	-47.76
CC=CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073471	0	36	-1.0	-49.37	312.49	1.06	-48.31
C[C@@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073472	0	39	-1.0	-49.12	332.16	2.00	-47.12
C[C@@H](NC(=O)C1(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073473	0	37	-1.0	-49.13	319.12	-1.76	-50.89
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC2)C1	REAL250005073474	0	39	-1.0	-51.37	333.14	2.22	-49.15
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)F)C1	REAL250005073475	0	38	-1.0	-46.76	322.96	1.10	-45.66
COCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073476	0	36	-1.0	-50.15	313.65	0.05	-50.10
CCCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073477	0	38	-1.0	-48.20	316.20	1.18	-47.02
CC(C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073478	0	41	-1.0	-47.72	332.93	1.77	-45.95
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2C)C1	REAL250005073479	0	39	-1.0	-46.51	327.38	2.12	-44.39
CCOCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073480	0	39	-1.0	-51.52	329.28	0.77	-50.75
CC(C)=CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073481	0	39	-1.0	-47.79	324.07	1.69	-46.10
CSCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073482	0	36	-1.0	-49.12	323.99	1.08	-48.04
CCCCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073483	0	41	-1.0	-48.18	337.70	1.96	-46.22
CC(C)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073484	0	38	-1.0	-51.08	320.93	1.18	-49.90
CCC(C)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073485	0	41	-1.0	-48.08	334.11	1.63	-46.45
COC(C)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073486	0	39	-1.0	-51.37	322.89	0.34	-51.03
C=CCCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073487	0	39	-1.0	-48.08	329.01	1.74	-46.34
CC(C#N)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073488	0	36	-1.0	-54.86	311.37	0.47	-54.39
CC=C(C)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073489	0	39	-1.0	-47.72	324.16	1.47	-46.25
CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073490	0	35	-1.0	-47.26	300.93	0.64	-46.62
COCCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073491	0	39	-1.0	-48.24	328.38	-0.51	-48.75
CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073492	0	32	-1.0	-47.56	279.35	-0.23	-47.79
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2)C1	REAL250005073493	0	36	-1.0	-47.28	311.45	1.40	-45.88
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2)C1	REAL250005073494	0	39	-1.0	-46.96	327.07	1.81	-45.15
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(N)=O)C1	REAL250005073495	0	33	-1.0	-47.83	287.91	-4.36	-52.19
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C)C1	REAL250005073496	0	41	-1.0	-50.89	333.80	1.47	-49.42
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC2)C1	REAL250005073497	0	39	-1.0	-51.30	331.33	1.80	-49.50
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2C[C@H]2C)C1	REAL250005073498	0	39	-1.0	-47.14	332.83	2.08	-45.06
CCC(F)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073499	0	38	-1.0	-49.24	321.91	1.17	-48.07
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCF)C1	REAL250005073500	0	38	-1.0	-50.71	322.79	1.32	-49.39
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[C@@H]2C)C1	REAL250005073501	0	39	-1.0	-47.13	332.57	2.06	-45.07
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CO)C1	REAL250005073502	0	33	-1.0	-53.16	285.17	-2.47	-55.63
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCO2)C1	REAL250005073503	0	37	-1.0	-51.43	311.28	-0.13	-51.56
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2COC2)C1	REAL250005073504	0	37	-1.0	-47.74	318.02	-0.87	-48.61
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CCO)C1	REAL250005073505	0	37	-1.0	-51.61	319.25	-2.37	-53.98
CCC=CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073506	0	39	-1.0	-48.37	329.23	1.75	-46.62
C#CCCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073507	0	37	-1.0	-48.36	321.98	1.69	-46.67
C=CC(O)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073508	0	37	-1.0	-49.18	314.39	-1.06	-50.24
CC(O)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073509	0	36	-1.0	-49.52	303.31	-1.85	-51.37
CC(=O)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073510	0	34	-1.0	-46.81	294.33	-0.57	-47.38
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC2)C1	REAL250005073511	0	36	-1.0	-46.54	315.02	1.32	-45.22
CC=C(F)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073512	0	36	-1.0	-46.51	317.12	1.16	-45.35
CC(CO)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073513	0	39	-1.0	-48.38	326.34	-2.34	-50.72
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(O)CC2)C1	REAL250005073514	0	37	-1.0	-47.21	323.49	-2.08	-49.29
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CCC2)C1	REAL250005073515	0	37	-1.0	-48.32	319.28	1.85	-46.47
CC(CF)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073516	0	38	-1.0	-46.24	327.40	1.32	-44.92
CC=CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073517	0	36	-1.0	-48.61	308.14	0.99	-47.62
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CCF)C1	REAL250005073518	0	36	-1.0	-50.20	314.33	1.11	-49.09
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)O)C1	REAL250005073520	0	36	-1.0	-48.04	308.98	-1.64	-49.68
CON=CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073521	0	36	-1.0	-51.13	317.05	-1.05	-52.18
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2C[C@H]2C)C1	REAL250005073522	0	39	-1.0	-47.14	332.83	2.08	-45.06
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)O)C1	REAL250005073523	0	39	-1.0	-56.31	323.67	-1.23	-57.54
C=C(C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073524	0	39	-1.0	-48.32	328.97	1.61	-46.71
C=CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073525	0	36	-1.0	-47.32	313.84	1.19	-46.13
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](C)C)C1	REAL250005073526	0	41	0.0	-70.84	330.29	1.13	-69.71
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN(C)C)C1	REAL250005073526	1	40	-1.0	-48.77	328.21	-1.27	-50.04
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC#N)C1	REAL250005073527	0	33	-1.0	-56.62	294.16	0.10	-56.52
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2F)C1	REAL250005073528	0	36	-1.0	-46.61	317.98	1.48	-45.13
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCF)C1	REAL250005073529	0	35	-1.0	-47.65	301.29	0.56	-47.09
CO[C@H](C)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073530	0	39	-1.0	-49.97	328.59	0.56	-49.41
C[C@@H](O)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073531	0	36	-1.0	-48.15	306.88	-1.64	-49.79
C=C1CC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073532	0	37	-1.0	-47.62	325.02	1.99	-45.63
CC1=CC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073533	0	37	-1.0	-48.37	326.20	2.13	-46.24
C=CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073534	0	33	-1.0	-48.81	286.42	0.12	-48.69
CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073535	0	35	-1.0	-46.76	290.35	0.62	-46.14
COCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073536	0	39	-1.0	-46.57	324.04	-0.30	-46.87
CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073537	0	32	-1.0	-47.11	270.03	-0.20	-47.31
C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073538	0	36	-1.0	-46.35	300.86	1.40	-44.95
C[C@@H]1[C@@H](NC(=O)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073539	0	39	-1.0	-46.26	317.15	1.89	-44.37
C[C@@H]1[C@@H](NC(=O)CC2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073540	0	39	-1.0	-46.80	321.29	2.16	-44.64
C[C@@H]1[C@@H](NC(=O)C(C)(C)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073541	0	38	-1.0	-45.35	316.81	1.29	-44.06
COCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073542	0	36	-1.0	-49.51	303.07	-0.02	-49.53
CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073543	0	38	-1.0	-46.58	311.87	1.39	-45.19
CC(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073544	0	41	-1.0	-46.18	328.59	1.98	-44.20
CC1CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073545	0	39	-1.0	-46.27	322.30	2.07	-44.20
CCOCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073546	0	39	-1.0	-49.57	324.84	0.94	-48.63
CC(C)=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073547	0	39	-1.0	-45.86	319.75	1.94	-43.92
CSCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073548	0	36	-1.0	-48.80	313.42	1.05	-47.75
CCCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073549	0	41	-1.0	-46.63	333.36	2.17	-44.46
CC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073550	0	38	-1.0	-46.22	309.90	1.29	-44.93
CCC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073551	0	41	-1.0	-46.15	328.00	1.93	-44.22
COC(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073552	0	39	-1.0	-49.05	322.11	0.73	-48.32
C=CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073553	0	39	-1.0	-46.54	324.68	1.95	-44.59
CC=C(C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073554	0	39	-1.0	-46.39	318.55	1.92	-44.47
C[C@@H]1[C@@H](NC(=O)C2(C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073555	0	39	-1.0	-46.01	318.51	1.98	-44.03
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073556	0	39	-1.0	-46.27	322.25	2.08	-44.19
CCC(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073557	0	38	-1.0	-46.94	318.10	1.42	-45.52
C[C@@H]1[C@@H](NC(=O)CCCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073558	0	38	-1.0	-49.26	318.46	1.53	-47.73
C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073559	0	39	-1.0	-46.26	322.26	2.07	-44.19
C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073560	0	33	-1.0	-46.21	285.60	-4.04	-50.25
C[C@@H]1[C@@H](NC(=O)C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073561	0	41	-1.0	-45.98	328.76	1.84	-44.14
C=CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073562	0	36	-1.0	-46.97	303.18	1.17	-45.80
C[C@@H]1[C@@H](NC(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073563	0	41	0.0	-72.91	325.96	1.34	-71.57
C[C@@H]1[C@@H](NC(=O)CN(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073563	1	40	-1.0	-47.05	323.87	-1.04	-48.09
C=CC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073564	0	37	-1.0	-46.97	314.28	-0.98	-47.95
C[C@@H]1[C@@H](NC(=O)C2COC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073565	0	37	-1.0	-47.31	307.64	-0.89	-48.20
CO[C@H](C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073566	0	39	-1.0	-49.17	322.77	0.70	-48.47
CCC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073567	0	39	-1.0	-46.35	325.01	1.99	-44.36
C[C@@H]1[C@@H](NC(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073569	0	33	-1.0	-51.14	280.82	-2.30	-53.44
CC(O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073570	0	36	-1.0	-47.40	301.20	-1.51	-48.91
C[C@@H]1[C@@H](NC(=O)C2CC2F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073571	0	36	-1.0	-46.09	307.72	1.49	-44.60
C[C@@H]1[C@@H](NC(=O)CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073572	0	35	-1.0	-46.36	296.96	0.76	-45.60
C[C@@H]1[C@@H](NC(=O)C=CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073573	0	36	-1.0	-48.54	310.10	1.35	-47.19
C#CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073574	0	37	-1.0	-46.97	317.62	1.92	-45.05
C[C@@H]1[C@@H](NC(=O)C2CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073575	0	37	-1.0	-49.41	307.78	0.16	-49.25
C[C@@H]1[C@@H](NC(=O)C(C)(C)O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073576	0	39	-1.0	-45.50	320.73	-1.94	-47.44
CC1=CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073577	0	37	-1.0	-47.00	315.86	2.10	-44.90
C[C@@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073578	0	36	-1.0	-47.28	301.16	-1.52	-48.80
C[C@@H]1[C@@H](NC(=O)C=CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073579	0	37	-1.0	-49.67	315.02	-2.13	-51.80
C[C@@H]1[C@@H](NC(=O)C2=CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073580	0	37	-1.0	-46.89	311.28	1.97	-44.92
CON=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073581	0	36	-1.0	-49.16	312.81	-0.80	-49.96
C[C@@H]1[C@@H](NC(=O)C2(F)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073582	0	36	-1.0	-44.96	307.23	1.44	-43.52
CC=C(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073583	0	36	-1.0	-44.57	308.89	1.30	-43.27
CC(CO)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073584	0	39	-1.0	-46.57	320.41	-2.00	-48.57
C[C@H](O)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073585	0	36	-1.0	-47.46	301.08	-1.52	-48.98
C=C1CC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073586	0	37	-1.0	-46.43	314.45	1.97	-44.46
CC(CF)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073587	0	38	-1.0	-45.75	315.79	1.44	-44.31
C=C(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073588	0	39	-1.0	-46.72	324.53	1.81	-44.91
CC=CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073589	0	36	-1.0	-46.55	303.92	1.23	-45.32
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL250005073590	0	39	-1.0	-46.27	322.25	2.08	-44.19
C[C@@H]1[C@@H](NC(=O)C2(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073591	0	37	-1.0	-46.16	309.10	-1.67	-47.83
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC1	REAL250005073592	0	39	-1.0	-46.45	324.23	2.30	-44.15
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)(C)F	REAL250005073593	0	38	-1.0	-44.94	312.56	1.09	-43.85
COCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073594	0	36	-1.0	-49.41	305.91	0.11	-49.30
CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073595	0	38	-1.0	-46.35	314.64	1.52	-44.83
CC(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073596	0	41	-1.0	-45.87	331.42	2.10	-43.77
CC1CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073597	0	39	-1.0	-46.08	324.26	2.15	-43.93
CCOCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073598	0	39	-1.0	-49.52	327.78	1.08	-48.44
CC(C)=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073599	0	39	-1.0	-45.55	321.90	1.99	-43.56
CSCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073600	0	36	-1.0	-48.59	316.25	1.19	-47.40
CCCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073601	0	41	-1.0	-46.29	336.25	2.28	-44.01
CC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073602	0	38	-1.0	-46.25	308.41	1.11	-45.14
CCC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073603	0	41	-1.0	-46.02	326.68	1.72	-44.30
COC(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073604	0	39	-1.0	-49.28	321.16	0.56	-48.72
C=CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073605	0	39	-1.0	-46.12	327.57	2.07	-44.05
CC(C#N)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073606	0	36	-1.0	-52.32	313.21	0.91	-51.41
CC=C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073607	0	39	-1.0	-46.31	326.91	1.86	-44.45
CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073608	0	35	-1.0	-46.41	293.28	0.74	-45.67
COCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073609	0	39	-1.0	-45.86	326.93	-0.19	-46.05
CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073610	0	32	-1.0	-46.90	272.84	-0.04	-46.94
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1	REAL250005073611	0	36	-1.0	-46.14	302.90	1.46	-44.68
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC1	REAL250005073612	0	39	-1.0	-46.20	318.97	1.98	-44.22
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(N)=O	REAL250005073613	0	33	-1.0	-44.22	285.79	-3.93	-48.15
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073614	0	39	-1.0	-46.09	324.26	2.15	-43.94
CCC(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073615	0	38	-1.0	-46.41	319.41	1.48	-44.93
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCF	REAL250005073616	0	38	-1.0	-49.11	321.23	1.66	-47.45
C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073617	0	39	-1.0	-46.08	325.12	2.14	-43.94
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005073618	0	33	-1.0	-51.19	283.65	-2.17	-53.36
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCO1	REAL250005073619	0	37	-1.0	-50.29	309.26	0.18	-50.11
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1COC1	REAL250005073620	0	37	-1.0	-46.60	310.28	-0.79	-47.39
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CCO	REAL250005073621	0	37	-1.0	-49.57	317.03	-2.05	-51.62
CCC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073622	0	39	-1.0	-46.35	326.91	2.08	-44.27
C#CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073623	0	37	-1.0	-46.13	320.56	2.02	-44.11
C=CC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073624	0	37	-1.0	-46.82	313.66	-1.06	-47.88
CC(O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073625	0	36	-1.0	-46.81	300.33	-1.62	-48.43
CC(=O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073626	0	34	-1.0	-43.60	292.70	-0.12	-43.72
CC=C(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073627	0	36	-1.0	-43.70	308.76	1.30	-42.40
CC(CO)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073628	0	39	-1.0	-45.95	319.12	-2.22	-48.17
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CCC1	REAL250005073629	0	37	-1.0	-47.26	309.19	1.82	-45.44
CC(CF)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073630	0	38	-1.0	-44.97	314.46	1.20	-43.77
CC=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073631	0	36	-1.0	-46.34	305.93	1.32	-45.02
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CCF	REAL250005073632	0	36	-1.0	-48.28	312.12	1.44	-46.84
C[C@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073634	0	36	-1.0	-47.10	299.55	-1.64	-48.74
CON=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073635	0	36	-1.0	-48.35	314.75	-0.73	-49.08
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073636	0	39	-1.0	-46.09	324.26	2.15	-43.94
C=C(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073637	0	39	-1.0	-46.19	327.55	1.93	-44.26
C=CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073638	0	36	-1.0	-46.43	306.20	1.28	-45.15
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL250005073639	0	41	0.0	-70.86	328.78	1.43	-69.43
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN(C)C	REAL250005073639	1	40	-1.0	-46.60	326.79	-0.97	-47.57
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC#N	REAL250005073640	0	33	-1.0	-55.20	292.64	0.43	-54.77
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1F	REAL250005073641	0	36	-1.0	-44.75	309.61	1.56	-43.19
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCF	REAL250005073642	0	35	-1.0	-45.50	299.83	0.87	-44.63
CO[C@H](C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073643	0	39	-1.0	-49.04	322.43	0.59	-48.45
C[C@@H](O)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073644	0	36	-1.0	-46.80	300.20	-1.61	-48.41
C=C1CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073645	0	37	-1.0	-46.15	317.25	2.06	-44.09
CC1=CC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073646	0	37	-1.0	-46.76	317.77	2.16	-44.60
C=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL250005073647	0	33	-1.0	-46.54	284.22	0.44	-46.10
CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073648	0	39	-1.0	-49.30	317.84	1.86	-47.44
CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073649	0	39	-1.0	-51.33	320.69	2.07	-49.26
CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005073650	0	38	-1.0	-56.26	305.06	1.80	-54.46
CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005073651	0	35	-1.0	-48.81	282.43	0.65	-48.16
CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005073652	0	38	-1.0	-51.56	306.81	1.88	-49.68
CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005073653	0	35	-1.0	-51.85	286.49	1.10	-50.75
C=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005073654	0	36	-1.0	-50.74	297.72	1.28	-49.46
CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073655	0	39	-1.0	-47.13	314.26	1.97	-45.16
CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073656	0	36	-1.0	-46.83	294.56	1.16	-45.67
O=C(CO)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073657	0	37	-1.0	-51.45	304.72	-1.12	-52.57
CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073658	0	39	-1.0	-50.70	318.38	2.21	-48.49
CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073659	0	36	-1.0	-50.31	296.06	1.38	-48.93
O=C(CO)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073660	0	37	-1.0	-55.02	308.08	-0.65	-55.67
C=CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005073661	0	37	-1.0	-50.29	308.72	1.92	-48.37
CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073662	0	39	-1.0	-57.96	316.07	2.69	-55.27
CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073663	0	36	-1.0	-48.21	294.22	1.82	-46.39
O=C(CO)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073664	0	37	-1.0	-63.51	306.56	-0.19	-63.70
CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073665	0	39	-1.0	-52.40	314.51	2.51	-49.89
CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073666	0	36	-1.0	-53.05	292.08	1.75	-51.30
O=C(CO)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073667	0	37	-1.0	-56.48	304.98	-0.36	-56.84
C=CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073668	0	37	-1.0	-53.17	305.25	2.33	-50.84
CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073669	0	38	-1.0	-47.34	304.44	2.68	-44.66
CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073670	0	35	-1.0	-47.72	284.36	1.89	-45.83
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005073671	0	39	-1.0	-58.00	315.35	3.28	-54.72
COCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073672	0	39	-1.0	-61.83	316.13	1.94	-59.89
CCCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073673	0	41	-1.0	-46.91	324.94	3.44	-43.47
CC(C)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073674	0	41	-1.0	-56.99	320.82	3.07	-53.92
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005073675	0	36	-1.0	-45.31	297.10	-1.93	-47.24
C=CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073676	0	39	-1.0	-57.85	317.21	3.16	-54.69
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005073677	0	36	-1.0	-63.46	294.77	-0.27	-63.73
CC(O)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073678	0	39	-1.0	-63.55	311.47	0.22	-63.33
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005073679	0	38	-1.0	-46.22	310.03	2.82	-43.40
C[C@@H](O)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073680	0	39	-1.0	-63.58	311.49	0.22	-63.36
C[C@H](O)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073681	0	39	-1.0	-50.47	311.15	0.22	-50.25
CC=CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073682	0	39	-1.0	-47.01	317.15	3.24	-43.77
COCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073683	0	39	-1.0	-61.12	318.79	1.95	-59.17
CCCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073684	0	41	-1.0	-46.06	326.02	3.48	-42.58
CC(C)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073685	0	41	-1.0	-53.48	307.14	3.59	-49.89
CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073686	0	38	-1.0	-56.09	306.36	2.69	-53.40
CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073687	0	35	-1.0	-46.54	282.80	1.84	-44.70
CN(C[C@@H]1CCCN1C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005073688	0	39	-1.0	-56.31	314.60	3.38	-52.93
CN(C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005073689	0	36	-1.0	-44.33	297.74	-2.00	-46.33
CN(C[C@@H]1CCCN1C(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005073690	0	36	-1.0	-61.74	295.54	-0.26	-62.00
CC(O)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073691	0	39	-1.0	-46.70	310.35	0.24	-46.46
CC(=O)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073692	0	37	-1.0	-43.64	304.62	1.82	-41.82
CC=CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073693	0	39	-1.0	-56.26	317.29	3.23	-53.03
C[C@H](O)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073694	0	39	-1.0	-46.54	311.47	0.31	-46.23
C=CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073695	0	39	-1.0	-46.28	317.53	3.23	-43.05
CN(C[C@@H]1CCCN1C(=O)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005073696	0	36	-1.0	-65.29	304.54	2.36	-62.93
CN(C[C@@H]1CCCN1C(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005073697	0	38	-1.0	-55.14	312.61	2.73	-52.41
C[C@@H](O)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073698	0	39	-1.0	-50.08	311.67	0.31	-49.77
C=CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005073699	0	36	-1.0	-46.39	296.11	2.39	-44.00
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL250005073700	0	39	-1.0	-47.93	306.57	-1.15	-49.08
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL250005073701	0	36	-1.0	-48.48	284.83	-1.99	-50.47
O=C(CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL250005073702	0	37	-1.0	-51.90	297.04	-4.05	-55.95
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL250005073703	0	39	-1.0	-45.98	306.13	-1.12	-47.10
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL250005073704	0	36	-1.0	-45.50	282.28	-1.48	-46.98
O=C(CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL250005073705	0	37	-1.0	-50.12	296.60	-4.19	-54.31
C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL250005073706	0	37	-1.0	-46.11	297.71	-1.34	-47.45
CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073707	0	39	-1.0	-52.91	322.99	2.73	-50.18
CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073708	0	36	-1.0	-53.14	302.68	1.81	-51.33
O=C(CO)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073709	0	37	-1.0	-55.49	314.02	-0.11	-55.60
CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073710	0	39	-1.0	-51.46	324.38	2.70	-48.76
CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073711	0	36	-1.0	-51.69	302.83	1.84	-49.85
O=C(CO)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073712	0	37	-1.0	-56.28	314.96	-0.19	-56.47
C=CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005073713	0	37	-1.0	-51.76	315.60	2.39	-49.37
CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073714	0	35	-1.0	-53.78	290.31	0.63	-53.15
COCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073715	0	39	-1.0	-52.71	323.96	-0.30	-53.01
CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073716	0	32	-1.0	-54.27	270.71	-0.16	-54.43
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005073717	0	36	-1.0	-54.35	301.71	1.38	-52.97
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005073718	0	39	-1.0	-53.44	316.99	1.90	-51.54
O=C(CC1CC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073719	0	39	-1.0	-54.29	322.26	2.16	-52.13
CC(C)(F)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073720	0	38	-1.0	-49.92	317.15	1.27	-48.65
COCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073721	0	36	-1.0	-56.99	303.02	-0.01	-57.00
CCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073722	0	38	-1.0	-54.53	312.68	1.36	-53.17
CC(C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073723	0	41	-1.0	-53.24	328.51	1.98	-51.26
CC1CC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073724	0	39	-1.0	-53.37	322.20	2.07	-51.30
CCOCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073725	0	39	-1.0	-58.08	325.75	0.92	-57.16
CC(C)=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073726	0	39	-1.0	-52.85	319.68	1.93	-50.92
CSCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073727	0	36	-1.0	-55.96	313.36	1.06	-54.90
CCCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073728	0	41	-1.0	-54.67	334.18	2.14	-52.53
CC(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073729	0	38	-1.0	-53.31	309.87	1.28	-52.03
CCC(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073730	0	41	-1.0	-54.44	328.79	1.93	-52.51
COC(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073731	0	39	-1.0	-56.89	322.81	0.70	-56.19
C=CCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073732	0	39	-1.0	-54.44	325.49	1.92	-52.52
CC=C(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073733	0	39	-1.0	-54.27	319.64	1.90	-52.37
CC1(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073734	0	39	-1.0	-53.90	323.22	1.90	-52.00
C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073735	0	39	-1.0	-54.48	323.08	2.06	-52.42
CCC(F)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073736	0	38	-1.0	-52.92	318.08	1.43	-51.49
O=C(CCCF)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073737	0	38	-1.0	-56.50	318.38	1.53	-54.97
C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073738	0	39	-1.0	-53.80	323.24	2.07	-51.73
NC(=O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073739	0	33	-1.0	-49.37	285.67	-4.04	-53.41
CC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073740	0	41	-1.0	-53.41	328.77	1.86	-51.55
C=CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073741	0	36	-1.0	-53.93	303.21	1.17	-52.76
C[NH+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073742	0	41	0.0	-74.67	325.88	1.34	-73.33
CN(C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073742	1	40	-1.0	-55.07	324.68	-1.08	-56.15
C=CC(O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073743	0	37	-1.0	-54.81	315.13	-0.97	-55.78
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1COC1	REAL250005073744	0	37	-1.0	-54.48	308.49	-0.91	-55.39
CO[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073745	0	39	-1.0	-56.94	322.83	0.70	-56.24
CCC=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073746	0	39	-1.0	-53.52	324.97	2.00	-51.52
O=C(CO)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073748	0	33	-1.0	-59.79	281.65	-2.32	-62.11
CC(O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073749	0	36	-1.0	-58.32	301.44	-1.52	-59.84
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1F	REAL250005073750	0	36	-1.0	-58.22	305.51	1.50	-56.72
O=C(CCF)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073751	0	35	-1.0	-52.21	296.88	0.77	-51.44
O=C(C=CCF)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073752	0	36	-1.0	-55.94	310.06	1.36	-54.58
C#CCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073753	0	37	-1.0	-54.14	318.45	1.88	-52.26
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCO1	REAL250005073754	0	37	-1.0	-58.66	308.81	0.24	-58.42
CC(C)(O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073755	0	39	-1.0	-59.55	320.72	-0.83	-60.38
CC1=CC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073756	0	37	-1.0	-54.19	316.82	2.13	-52.06
C[C@@H](O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073757	0	36	-1.0	-53.79	301.11	-1.50	-55.29
O=C(C=CCO)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073758	0	37	-1.0	-57.36	314.98	-2.12	-59.48
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CCC1	REAL250005073759	0	37	-1.0	-54.35	310.80	1.91	-52.44
CON=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073760	0	36	-1.0	-55.34	312.77	-0.80	-56.14
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(F)CC1	REAL250005073761	0	36	-1.0	-50.67	308.06	1.44	-49.23
CC=C(F)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073762	0	36	-1.0	-50.29	309.66	1.28	-49.01
CC(CO)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073763	0	39	-1.0	-52.77	320.44	-2.00	-54.77
C[C@H](O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073764	0	36	-1.0	-58.36	301.45	-1.53	-59.89
C=C1CC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073765	0	37	-1.0	-53.65	315.37	1.99	-51.66
CC(CF)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073766	0	38	-1.0	-51.73	315.84	1.42	-50.31
C=C(C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073767	0	39	-1.0	-53.40	324.57	1.82	-51.58
CC=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073768	0	36	-1.0	-54.72	304.69	1.22	-53.50
C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073769	0	39	-1.0	-54.48	323.08	2.06	-52.42
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(O)CC1	REAL250005073770	0	37	-1.0	-52.75	309.14	-1.67	-54.42
O=C(CC1CC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073771	0	39	-1.0	-50.95	324.72	2.28	-48.67
CC(C)(F)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073772	0	38	-1.0	-51.32	309.41	1.95	-49.37
COCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073773	0	36	-1.0	-54.15	306.52	0.11	-54.04
CCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073774	0	38	-1.0	-49.82	315.43	1.53	-48.29
CC(C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073775	0	41	-1.0	-50.09	331.96	2.12	-47.97
CC1CC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073776	0	39	-1.0	-49.54	319.57	2.21	-47.33
CCOCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073777	0	39	-1.0	-54.19	328.38	1.07	-53.12
CC(C)=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073778	0	39	-1.0	-49.90	322.52	2.00	-47.90
CSCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073779	0	36	-1.0	-53.31	316.86	1.20	-52.11
CCCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073780	0	41	-1.0	-49.90	336.93	2.31	-47.59
CC(C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073781	0	38	-1.0	-52.65	308.47	2.01	-50.64
CCC(C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073782	0	41	-1.0	-53.23	326.83	2.67	-50.56
COC(C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073783	0	39	-1.0	-53.81	321.15	0.54	-53.27
C=CCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073784	0	39	-1.0	-50.05	327.84	2.10	-47.95
CC(C#N)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073785	0	36	-1.0	-57.17	308.92	0.78	-56.39
CC=C(C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073786	0	39	-1.0	-52.88	316.69	2.19	-50.69
CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073787	0	35	-1.0	-50.27	293.50	0.78	-49.49
COCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073788	0	39	-1.0	-49.13	327.61	-0.17	-49.30
CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073789	0	32	-1.0	-50.00	272.20	-0.10	-50.10
O=C(NC[C@H]1CCCN1C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005073790	0	36	-1.0	-50.00	304.74	1.50	-48.50
O=C(NC[C@H]1CCCN1C(=O)C1CCC1)C1=CC(=O)[N-]O1	REAL250005073791	0	39	-1.0	-49.84	319.81	1.99	-47.85
NC(=O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073792	0	33	-1.0	-47.30	286.60	-3.94	-51.24
C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073793	0	39	-1.0	-50.31	325.03	2.17	-48.14
CCC(F)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073794	0	38	-1.0	-49.72	320.94	1.51	-48.21
O=C(CCCF)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073795	0	38	-1.0	-52.62	322.02	1.66	-50.96
C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073796	0	39	-1.0	-50.01	325.02	2.18	-47.83
O=C(CO)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073797	0	33	-1.0	-55.33	284.00	-2.16	-57.49
O=C(NC[C@H]1CCCN1C(=O)C1CCO1)C1=CC(=O)[N-]O1	REAL250005073798	0	37	-1.0	-53.77	308.02	0.14	-53.63
O=C(NC[C@H]1CCCN1C(=O)C1COC1)C1=CC(=O)[N-]O1	REAL250005073799	0	37	-1.0	-50.21	310.10	-0.70	-50.91
O=C(C=CCO)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073800	0	37	-1.0	-53.82	317.93	-2.00	-55.82
CCC=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073801	0	39	-1.0	-50.21	326.97	2.11	-48.10
C#CCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073802	0	37	-1.0	-49.64	321.22	2.04	-47.60
C=CC(O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073803	0	37	-1.0	-50.08	310.36	-0.92	-51.00
CC(O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073804	0	36	-1.0	-53.53	296.04	-0.92	-54.45
CC(=O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073805	0	34	-1.0	-46.84	293.47	-0.12	-46.96
CC=C(F)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073806	0	36	-1.0	-47.40	309.54	1.29	-46.11
CC(CO)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073807	0	39	-1.0	-52.07	316.99	-1.29	-53.36
O=C(NC[C@H]1CCCN1C(=O)C1=CCC1)C1=CC(=O)[N-]O1	REAL250005073808	0	37	-1.0	-51.55	309.33	1.84	-49.71
CC(CF)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073809	0	38	-1.0	-50.93	313.34	2.08	-48.85
CC=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073810	0	36	-1.0	-50.84	306.63	1.34	-49.50
O=C(C=CCF)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073811	0	36	-1.0	-52.59	312.10	1.45	-51.14
C[C@H](O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073813	0	36	-1.0	-53.63	295.44	-0.93	-54.56
CON=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073814	0	36	-1.0	-52.90	315.59	-0.75	-53.65
C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073815	0	39	-1.0	-50.31	325.03	2.17	-48.14
C=C(C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073816	0	39	-1.0	-50.38	328.32	1.93	-48.45
C=CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073817	0	36	-1.0	-50.45	306.40	1.32	-49.13
C[NH+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073818	0	41	0.0	-70.75	329.32	1.44	-69.31
CN(C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073818	1	40	-1.0	-50.26	327.43	-0.93	-51.19
N#CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073819	0	33	-1.0	-59.18	292.99	0.46	-58.72
O=C(NC[C@H]1CCCN1C(=O)C1CC1F)C1=CC(=O)[N-]O1	REAL250005073820	0	36	-1.0	-53.62	310.93	1.57	-52.05
O=C(CCF)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073821	0	35	-1.0	-48.79	300.12	0.93	-47.86
CO[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073822	0	39	-1.0	-53.96	321.20	0.54	-53.42
C[C@@H](O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073823	0	36	-1.0	-50.95	300.28	-1.62	-52.57
C=C1CC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073824	0	37	-1.0	-50.17	316.62	2.07	-48.10
CC1=CC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073825	0	37	-1.0	-50.64	318.26	2.20	-48.44
C=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073826	0	33	-1.0	-50.94	284.96	0.43	-50.51
CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073827	0	41	-1.0	-53.39	344.07	2.09	-51.30
CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073828	0	38	-1.0	-53.71	323.76	1.28	-52.43
O=C(CO)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073829	0	39	-1.0	-58.27	334.54	-0.83	-59.10
CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073830	0	41	-1.0	-49.73	346.03	2.28	-47.45
CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073831	0	38	-1.0	-50.06	325.31	1.45	-48.61
O=C(CO)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073832	0	39	-1.0	-54.54	336.50	-0.59	-55.13
C=CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073833	0	39	-1.0	-50.28	337.64	1.98	-48.30
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL250005073834	0	39	-1.0	-46.86	308.45	1.66	-45.20
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL250005073835	0	39	-1.0	-48.04	310.10	1.88	-46.16
CCC(=O)N[C@H]1CC[C@@H](N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073836	0	41	-1.0	-48.63	320.88	2.44	-46.19
CC(=O)N[C@H]1CC[C@@H](N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073837	0	38	-1.0	-51.02	292.25	1.20	-49.82
CN(C(=O)C1=CC(=O)[N-]O1)[C@H]1CC[C@@H](NC(=O)CO)CC1	REAL250005073838	0	39	-1.0	-50.26	303.02	-0.90	-51.16
CCC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073839	0	41	-1.0	-46.15	316.22	2.17	-43.98
CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073840	0	38	-1.0	-46.29	293.40	1.27	-45.02
CN(C(=O)CO)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073841	0	39	-1.0	-54.79	306.70	-0.81	-55.60
C=CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073842	0	39	-1.0	-53.35	312.08	2.34	-51.01
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005073843	0	39	-1.0	-44.91	308.91	1.65	-43.26
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005073844	0	36	-1.0	-48.06	286.62	1.25	-46.81
O=C(CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005073845	0	37	-1.0	-48.93	299.38	-1.28	-50.21
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005073846	0	39	-1.0	-44.15	312.11	1.79	-42.36
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005073847	0	36	-1.0	-44.82	289.89	0.91	-43.91
O=C(CO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005073848	0	37	-1.0	-48.08	302.50	-1.29	-49.37
C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL250005073849	0	37	-1.0	-44.26	303.32	1.50	-42.76
CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073850	0	32	-1.0	-48.84	285.54	-0.16	-49.00
CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073851	0	29	-1.0	-49.14	265.23	-0.98	-50.12
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005073852	0	33	-1.0	-48.68	295.65	0.63	-48.05
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005073853	0	36	-1.0	-48.20	312.17	1.19	-47.01
O=C(CC1CC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073854	0	36	-1.0	-48.75	316.50	1.38	-47.37
COCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073855	0	33	-1.0	-51.48	298.26	-0.80	-52.28
CCCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073856	0	35	-1.0	-48.57	307.04	0.61	-47.96
CC(C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073857	0	38	-1.0	-48.15	323.77	1.19	-46.96
CC1CC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073858	0	36	-1.0	-48.55	317.03	1.28	-47.27
CC(C)=CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073859	0	36	-1.0	-48.29	314.61	1.16	-47.13
CCCCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073860	0	38	-1.0	-48.57	328.54	1.39	-47.18
CC(C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073861	0	35	-1.0	-48.16	304.96	0.59	-47.57
CCC(C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073862	0	38	-1.0	-48.22	322.82	1.15	-47.07
C=CCCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073863	0	36	-1.0	-48.55	319.85	1.17	-47.38
CC=C(C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073864	0	36	-1.0	-48.78	313.45	1.13	-47.65
CC1(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073865	0	36	-1.0	-48.19	313.71	1.30	-46.89
C[C@@H]1C[C@H]1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073866	0	36	-1.0	-48.41	317.34	1.36	-47.05
C[C@H]1C[C@@H]1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073867	0	36	-1.0	-48.55	317.04	1.29	-47.26
NC(=O)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073868	0	30	-1.0	-50.94	280.49	-4.82	-55.76
CC(C)(C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073869	0	38	-1.0	-48.04	323.98	1.06	-46.98
C=CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073870	0	33	-1.0	-48.94	298.46	0.38	-48.56
C=CC(O)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073871	0	34	-1.0	-48.98	306.80	-1.47	-50.45
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005073872	0	34	-1.0	-49.38	302.91	-1.65	-51.03
CCC=CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073873	0	36	-1.0	-48.74	319.81	1.21	-47.53
O=C(CO)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073875	0	30	-1.0	-52.93	276.01	-3.08	-56.01
CC(O)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073876	0	33	-1.0	-49.50	295.94	-2.29	-51.79
O=C(CCF)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073877	0	32	-1.0	-48.73	292.13	-0.02	-48.75
C#CCCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073878	0	34	-1.0	-49.24	312.82	1.12	-48.12
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005073879	0	34	-1.0	-51.00	304.03	-0.58	-51.58
CC1=CC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073880	0	34	-1.0	-49.29	310.98	1.41	-47.88
C[C@@H](O)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073881	0	33	-1.0	-52.14	296.59	-2.23	-54.37
O=C(C=CCO)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073882	0	34	-1.0	-51.68	309.82	-2.91	-54.59
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005073883	0	34	-1.0	-49.24	306.02	1.11	-48.13
C[C@H](O)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073884	0	33	-1.0	-49.57	296.35	-2.29	-51.86
C=C1CC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073885	0	34	-1.0	-48.86	309.22	1.18	-47.68
C=C(C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073886	0	36	-1.0	-48.79	319.81	1.03	-47.76
CC=CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073887	0	33	-1.0	-48.92	298.72	0.45	-48.47
C[C@@H]1C[C@H]1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073888	0	36	-1.0	-48.41	317.34	1.36	-47.05
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005073889	0	34	-1.0	-48.77	304.27	-2.39	-51.16
O=C(CC1CC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073890	0	36	-1.0	-48.78	318.00	1.51	-47.27
COCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073891	0	33	-1.0	-51.32	300.37	-0.58	-51.90
CCCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073892	0	35	-1.0	-48.31	308.94	0.72	-47.59
CC(C)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073893	0	38	-1.0	-47.55	325.88	1.38	-46.17
CC1CC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073894	0	36	-1.0	-47.76	313.87	1.44	-46.32
CC(C)=CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073895	0	36	-1.0	-47.72	317.11	1.29	-46.43
CCCCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073896	0	38	-1.0	-48.29	330.43	1.50	-46.79
CC(C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073897	0	35	-1.0	-50.65	307.65	0.49	-50.16
CCC(C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073898	0	38	-1.0	-47.86	322.71	1.11	-46.75
C=CCCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073899	0	36	-1.0	-48.32	321.75	1.28	-47.04
CC(C#N)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073900	0	33	-1.0	-53.41	307.80	0.22	-53.19
CC=C(C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073901	0	36	-1.0	-48.74	310.88	0.84	-47.90
CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073902	0	32	-1.0	-48.30	287.65	0.02	-48.28
CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073903	0	29	-1.0	-48.93	267.13	-0.86	-49.79
O=C(NCC1(F)CN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005073904	0	33	-1.0	-48.31	298.18	0.77	-47.54
O=C(NCC1(F)CN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005073905	0	36	-1.0	-48.01	314.17	1.33	-46.68
NC(=O)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073906	0	30	-1.0	-48.55	280.79	-4.74	-53.29
CC(C)(C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073907	0	38	-1.0	-48.04	318.60	0.83	-47.21
CC1(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005073908	0	36	-1.0	-50.52	317.79	1.16	-49.36
C[C@@H]1C[C@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073909	0	36	-1.0	-48.21	319.36	1.49	-46.72
C[C@H]1C[C@@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073910	0	36	-1.0	-48.16	319.56	1.45	-46.71
O=C(CO)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073911	0	30	-1.0	-53.15	277.91	-2.93	-56.08
O=C(NCC1(F)CN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005073912	0	34	-1.0	-52.86	305.93	-0.39	-53.25
O=C(NCC1(F)CN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005073913	0	34	-1.0	-48.72	304.61	-1.50	-50.22
O=C(C=CCO)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073914	0	34	-1.0	-51.59	312.08	-2.75	-54.34
CCC=CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073915	0	36	-1.0	-48.34	322.07	1.37	-46.97
C#CCCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073916	0	34	-1.0	-48.30	314.93	1.30	-47.00
C=CC(O)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073917	0	34	-1.0	-48.47	304.86	-1.51	-49.98
CC(O)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073918	0	33	-1.0	-48.82	293.86	-2.27	-51.09
CC(=O)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073919	0	31	-1.0	-47.32	287.20	-0.95	-48.27
O=C(NCC1(F)CN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005073920	0	34	-1.0	-47.71	310.03	-2.69	-50.40
O=C(NCC1(F)CN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005073921	0	34	-1.0	-49.28	304.98	1.16	-48.12
CC=CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073922	0	33	-1.0	-48.58	300.98	0.61	-47.97
C[C@H](O)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073924	0	33	-1.0	-52.55	296.17	-2.25	-54.80
C[C@@H]1C[C@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073925	0	36	-1.0	-48.21	319.36	1.49	-46.72
C=C(C)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073926	0	36	-1.0	-48.17	322.18	1.22	-46.95
C=CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073927	0	33	-1.0	-48.72	300.35	0.49	-48.23
N#CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073928	0	30	-1.0	-56.33	286.90	-0.36	-56.69
O=C(CCF)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073929	0	32	-1.0	-47.84	294.03	0.10	-47.74
C[C@@H](O)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073930	0	33	-1.0	-48.86	293.69	-2.25	-51.11
C=C1CC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073931	0	34	-1.0	-48.53	311.73	1.37	-47.16
CC1=CC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073932	0	34	-1.0	-49.31	312.98	1.53	-47.78
C=CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073933	0	30	-1.0	-49.02	279.15	-0.34	-49.36
CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005073934	0	41	-1.0	-53.41	330.74	1.71	-51.70
CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005073935	0	38	-1.0	-54.45	310.28	0.90	-53.55
CC1(C)C[C@@H](CNC(=O)CO)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073936	0	39	-1.0	-59.35	322.04	-1.23	-60.58
CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073937	0	41	-1.0	-49.41	333.95	1.84	-47.57
CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073938	0	38	-1.0	-49.96	312.48	1.00	-48.96
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CO)C1	REAL250005073939	0	39	-1.0	-54.23	324.45	-1.06	-55.29
C=CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073940	0	39	-1.0	-50.11	324.37	1.53	-48.58
CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005073941	0	41	-1.0	-53.38	330.72	1.71	-51.67
CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005073942	0	38	-1.0	-53.62	310.43	0.89	-52.73
CC1(C)CC(CNC(=O)CO)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073943	0	39	-1.0	-58.33	321.19	-1.21	-59.54
CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073944	0	41	-1.0	-49.71	334.24	1.83	-47.88
CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073945	0	38	-1.0	-49.86	313.94	1.04	-48.82
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CO)C1	REAL250005073946	0	39	-1.0	-54.70	324.73	-1.11	-55.81
C=CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073947	0	39	-1.0	-49.63	324.62	1.53	-48.10
CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073948	0	36	-1.0	-47.24	302.21	1.52	-45.72
CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073949	0	33	-1.0	-47.57	281.92	0.70	-46.87
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL250005073950	0	37	-1.0	-47.13	312.73	2.29	-44.84
COCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073951	0	37	-1.0	-50.05	314.93	0.88	-49.17
CCCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073952	0	39	-1.0	-47.06	323.71	2.29	-44.77
CC(C)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073953	0	39	-1.0	-46.87	321.76	2.18	-44.69
NC(=O)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073954	0	34	-1.0	-48.77	297.56	-3.14	-51.91
C=CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073955	0	37	-1.0	-47.46	315.12	2.06	-45.40
O=C(CO)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073956	0	34	-1.0	-51.49	292.68	-1.40	-52.89
CC(O)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073957	0	37	-1.0	-50.88	313.35	-0.63	-51.51
O=C(CCF)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073958	0	36	-1.0	-46.98	308.80	1.66	-45.32
C[C@@H](O)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073959	0	37	-1.0	-50.86	313.35	-0.63	-51.49
C[C@H](O)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073960	0	37	-1.0	-50.81	312.55	-0.60	-51.41
CC=CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005073961	0	37	-1.0	-47.32	315.79	2.12	-45.20
COCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073962	0	37	-1.0	-54.25	318.15	1.05	-53.20
CCCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073963	0	39	-1.0	-50.71	326.93	2.41	-48.30
CC(C)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073964	0	39	-1.0	-50.68	321.15	2.03	-48.65
CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073965	0	36	-1.0	-50.87	305.43	1.65	-49.22
CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073966	0	33	-1.0	-50.50	283.72	0.46	-50.04
O=C(NCC12CC1CN(C(=O)C1CC1)C2)C1=CC(=O)[N-]O1	REAL250005073967	0	37	-1.0	-50.87	315.60	2.39	-48.48
NC(=O)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073968	0	34	-1.0	-47.00	297.67	-3.01	-50.01
O=C(CO)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073969	0	34	-1.0	-53.78	294.76	-1.15	-54.93
CC(O)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073970	0	37	-1.0	-51.57	312.33	-0.69	-52.26
CC(=O)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073971	0	35	-1.0	-46.78	304.09	0.78	-46.00
CC=CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073972	0	37	-1.0	-51.09	317.79	2.22	-48.87
C[C@H](O)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073973	0	37	-1.0	-51.61	312.39	-0.66	-52.27
C=CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073974	0	37	-1.0	-50.90	318.34	2.19	-48.71
N#CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073975	0	34	-1.0	-57.19	303.75	1.40	-55.79
O=C(CCF)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073976	0	36	-1.0	-49.28	312.02	1.79	-47.49
C[C@@H](O)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073977	0	37	-1.0	-51.56	312.33	-0.69	-52.25
C=CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005073978	0	34	-1.0	-51.13	296.07	1.33	-49.80
CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073979	0	41	-1.0	-49.02	308.97	1.41	-47.61
CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005073980	0	41	-1.0	-50.53	310.12	1.53	-49.00
CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL250005073981	0	39	-1.0	-59.18	303.60	1.71	-57.47
CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL250005073982	0	36	-1.0	-45.70	286.00	1.06	-44.64
O=C(CO)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL250005073983	0	37	-1.0	-65.03	294.07	-1.32	-66.35
CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073984	0	39	-1.0	-47.07	310.69	2.03	-45.04
CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073985	0	36	-1.0	-53.75	288.08	1.12	-52.63
O=C(CO)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073986	0	37	-1.0	-51.52	301.16	-0.87	-52.39
C=CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005073987	0	37	-1.0	-50.80	301.26	1.76	-49.04
CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073988	0	32	-1.0	-48.16	274.59	-0.45	-48.61
COCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073989	0	36	-1.0	-48.36	308.26	-1.38	-49.74
CC1(NC(=O)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073990	0	33	-1.0	-48.34	285.08	0.40	-47.94
CC1(NC(=O)C2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073991	0	36	-1.0	-48.30	301.38	0.90	-47.40
CC1(NC(=O)C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073992	0	39	-1.0	-47.75	317.65	1.42	-46.33
CC1(NC(=O)CC2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073993	0	36	-1.0	-48.51	305.48	1.16	-47.35
CC(C)(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073994	0	35	-1.0	-49.44	301.36	0.20	-49.24
CC(F)(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073995	0	32	-1.0	-46.63	286.42	-0.26	-46.89
COCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073996	0	33	-1.0	-50.98	287.29	-1.18	-52.16
CCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073997	0	35	-1.0	-48.05	296.09	0.31	-47.74
CC1(NC(=O)C2=CC=CO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073998	0	33	-1.0	-50.12	294.21	-0.14	-50.26
CC(=O)NCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073999	0	36	-1.0	-51.39	312.95	-2.76	-54.15
CC(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074000	0	38	-1.0	-47.69	312.81	0.90	-46.79
CC1CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074001	0	36	-1.0	-47.84	301.00	1.12	-46.72
CCOCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074002	0	36	-1.0	-50.97	309.15	-0.22	-51.19
CC(C)=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074003	0	36	-1.0	-47.76	304.03	0.86	-46.90
CC1(NC(=O)C2CCCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074004	0	37	-1.0	-50.85	310.92	0.13	-50.72
CSCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074005	0	33	-1.0	-50.12	297.64	-0.02	-50.14
CSCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074006	0	36	-1.0	-48.02	319.32	0.78	-47.24
CC(C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074007	0	41	-1.0	-47.99	335.15	1.60	-46.39
CC1(NC(=O)C2=CC=CN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074008	0	34	-1.0	-50.83	297.08	-0.36	-51.19
CC1(NC(=O)C2=COC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074009	0	33	-1.0	-51.38	293.35	-0.17	-51.55
CCCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074010	0	41	-1.0	-47.95	339.08	1.87	-46.08
CC(C)(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074011	0	41	-1.0	-47.05	327.77	1.43	-45.62
CCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074012	0	38	-1.0	-48.06	317.58	1.09	-46.97
CC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074013	0	35	-1.0	-47.82	294.14	0.21	-47.61
CCC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074014	0	38	-1.0	-47.87	312.26	0.86	-47.01
CCC(CC)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074015	0	41	-1.0	-48.25	328.09	1.35	-46.90
CC1(NC(=O)C2=CC=NN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074016	0	33	-1.0	-49.74	291.79	-1.68	-51.42
CSC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074017	0	36	-1.0	-50.59	316.09	0.54	-50.05
CCOC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074018	0	39	-1.0	-50.34	328.13	0.52	-49.82
CC1(NC(=O)C2=CNN=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074019	0	33	-1.0	-51.08	292.06	-1.71	-52.79
COCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074020	0	39	-1.0	-50.26	329.76	-0.62	-50.88
CC1(NC(=O)C2=NOC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074021	0	32	-1.0	-51.66	288.65	-0.90	-52.56
CCC=C(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074022	0	39	-1.0	-48.48	323.20	1.57	-46.91
COC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074023	0	36	-1.0	-50.37	306.28	-0.43	-50.80
CC(C)OCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074024	0	39	-1.0	-50.78	329.42	0.50	-50.28
CCCOCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074025	0	39	-1.0	-50.81	330.65	0.58	-50.23
CC1(NC(=O)C2CCOC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074026	0	37	-1.0	-48.05	308.51	-1.17	-49.22
CCC(OC)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074027	0	39	-1.0	-50.22	328.08	0.39	-49.83
COC(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074028	0	39	-1.0	-48.22	327.39	0.08	-48.14
C=CCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074029	0	36	-1.0	-48.26	308.90	0.87	-47.39
CCOCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074030	0	39	-1.0	-48.31	330.11	-0.42	-48.73
COCC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074031	0	39	-1.0	-48.25	326.98	-0.67	-48.92
C=CCOCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074032	0	37	-1.0	-51.31	322.05	0.35	-50.96
CC1(NC(=O)C2=COC=N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074033	0	32	-1.0	-51.43	288.94	-3.56	-54.99
CCCC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074034	0	41	-1.0	-47.90	333.76	1.61	-46.29
CC1(NC(=O)CCC2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074035	0	39	-1.0	-47.94	327.71	1.88	-46.06
CC1(NC(=O)C2CC=CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074036	0	37	-1.0	-49.15	310.06	1.41	-47.74
CC1(NC(=O)CC2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074037	0	39	-1.0	-48.30	322.45	1.68	-46.62
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005074038	0	39	-1.0	-48.29	323.38	1.66	-46.63
CC=C(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074039	0	36	-1.0	-48.61	302.88	0.82	-47.79
CC1CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005074040	0	39	-1.0	-48.22	321.04	1.44	-46.78
CC1(NC(=O)C=C2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074041	0	37	-1.0	-48.94	313.71	1.60	-47.34
CC(C)=C(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074042	0	36	-1.0	-47.24	308.72	0.92	-46.32
CC1(NC(=O)C2=CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074043	0	37	-1.0	-48.83	311.14	1.49	-47.34
CC1(C)CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074044	0	39	-1.0	-47.91	321.67	1.62	-46.29
CC1(C)C[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074045	0	39	-1.0	-47.74	321.69	1.53	-46.21
CC1(NC(=O)[C@@H]2CCCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074046	0	37	-1.0	-51.27	310.80	-0.03	-51.30
CCC(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074047	0	41	-1.0	-47.69	331.03	1.57	-46.12
C#CCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074048	0	37	-1.0	-50.33	323.36	1.61	-48.72
CC(C)(O)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074049	0	39	-1.0	-48.64	319.04	-1.11	-49.75
CC(C)[C@@H](O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074050	0	39	-1.0	-49.54	320.29	-0.64	-50.18
CCC(C)=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074051	0	39	-1.0	-47.66	325.73	1.61	-46.05
CC(C)C#CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074052	0	37	-1.0	-49.87	323.97	1.56	-48.31
CC1(NC(=O)C#CC2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074053	0	35	-1.0	-50.29	313.65	1.74	-48.55
C=C(C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074054	0	39	-1.0	-48.13	330.51	1.54	-46.59
CC1(NC(=O)[C@H]2CCCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074055	0	37	-1.0	-50.89	310.59	0.02	-50.87
CC1(NC(=O)C2=NNN=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074056	0	32	-1.0	-49.39	287.48	-3.05	-52.44
CC1(NC(=O)C2=CN=NN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074056	1	32	-1.0	-50.31	286.55	-2.96	-53.27
CC1(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005074057	0	39	-1.0	-48.29	325.50	1.65	-46.64
CC1(NC(=O)C2=CN=CO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074058	0	32	-1.0	-50.75	288.95	-3.37	-54.12
C[C@@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074059	0	36	-1.0	-48.25	306.47	0.98	-47.27
CCC(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074060	0	35	-1.0	-50.62	302.33	0.36	-50.26
CC1(NC(=O)CCCF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074061	0	35	-1.0	-50.06	302.68	0.45	-49.61
C[C@H]1C[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074062	0	36	-1.0	-48.28	306.45	1.00	-47.28
CC(C)C(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074063	0	38	-1.0	-50.09	316.84	0.95	-49.14
C=CCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074064	0	39	-1.0	-48.22	330.40	1.65	-46.57
CC1(NC(=O)C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074065	0	30	-1.0	-49.69	269.92	-5.11	-54.80
CC1CC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074066	0	39	-1.0	-48.15	326.86	1.76	-46.39
CC(C)C(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074067	0	41	-1.0	-47.48	328.16	1.41	-46.07
CC[C@@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074068	0	39	-1.0	-48.21	327.86	1.77	-46.44
CC1(NC(=O)C2CC23CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074069	0	37	-1.0	-48.99	317.53	1.87	-47.12
CC1(NC(=O)[C@@H]2CC(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074070	0	34	-1.0	-55.62	299.44	-3.93	-59.55
CC1(NC(=O)[C@H]2CC(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074071	0	34	-1.0	-55.33	299.54	-3.76	-59.09
CC1(NC(=O)C2CSC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074072	0	34	-1.0	-48.44	301.16	0.48	-47.96
C=CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074073	0	33	-1.0	-48.44	287.49	0.10	-48.34
C[NH+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074074	0	38	0.0	-65.48	310.17	0.26	-65.22
CN(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074074	1	37	-1.0	-48.74	308.09	-2.13	-50.87
C=CC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074075	0	34	-1.0	-48.33	298.55	-2.14	-50.47
CC1(NC(=O)C2COC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074076	0	34	-1.0	-48.42	291.91	-1.95	-50.37
CO[C@H](C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074077	0	36	-1.0	-50.53	307.07	-0.47	-51.00
CC=CC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074078	0	37	-1.0	-48.46	320.26	-1.28	-49.74
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074079	0	41	0.0	-65.42	328.24	0.66	-64.76
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005074079	1	40	-1.0	-48.26	320.51	-1.70	-49.96
CCC=C(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074080	0	36	-1.0	-47.51	313.42	0.95	-46.56
CCC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074081	0	36	-1.0	-48.40	309.24	0.90	-47.50
CC1(NC(=O)CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074083	0	30	-1.0	-52.28	265.04	-3.47	-55.75
CC1(NC(=O)C=CC(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074084	0	34	-1.0	-52.18	304.54	-3.82	-56.00
CC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074085	0	33	-1.0	-49.73	285.37	-2.68	-52.41
CC1(NC(=O)C(O)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074086	0	37	-1.0	-47.71	313.64	-0.89	-48.60
C=CCC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074087	0	39	-1.0	-48.07	325.54	1.40	-46.67
CC1(NC(=O)C2CC2F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074088	0	33	-1.0	-47.59	291.88	0.50	-47.09
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074089	0	41	0.0	-65.42	328.24	0.66	-64.76
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005074089	1	40	-1.0	-48.26	320.51	-1.70	-49.96
CC1(NC(=O)CCF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074090	0	32	-1.0	-47.75	281.18	-0.32	-48.07
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005074091	0	37	-1.0	-49.36	317.33	1.87	-47.49
CCC1CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074092	0	39	-1.0	-47.79	322.43	1.77	-46.02
CC1(NC(=O)CC2(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074093	0	37	-1.0	-51.10	317.57	-1.91	-53.01
CC1(NC(=O)C=CCF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074094	0	33	-1.0	-50.52	294.33	0.26	-50.26
C#CCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074095	0	34	-1.0	-48.57	301.87	0.83	-47.74
CC1(NC(=O)CN2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074096	0	38	-1.0	-48.76	315.92	-2.52	-51.28
CC1(NC(=O)C[NH+]2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074096	1	39	0.0	-65.15	320.43	0.75	-64.40
C#C[C@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074097	0	35	-1.0	-50.76	307.86	1.54	-49.22
CC1(NC(=O)C2C3CCC32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074098	0	37	-1.0	-48.48	312.47	1.67	-46.81
C=C1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074099	0	37	-1.0	-49.40	315.05	1.40	-48.00
C[C@H]1C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005074100	0	39	-1.0	-48.66	323.60	1.62	-47.04
C[C@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074101	0	41	0.0	-61.82	328.30	0.76	-61.06
C[C@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005074101	1	40	-1.0	-49.08	321.89	-1.71	-50.79
CC=CC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074102	0	37	-1.0	-48.56	323.32	1.59	-46.97
COCC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074103	0	37	-1.0	-50.53	321.51	-0.82	-51.35
CC1(NC(=O)C2CCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074104	0	34	-1.0	-52.77	293.27	-0.82	-53.59
CC1(NC(=O)CCN=[N+]=[N-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074105	0	34	-1.0	-48.06	304.72	-3.84	-51.90
C#CCOCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074106	0	35	-1.0	-53.46	314.93	0.31	-53.15
CC1=CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074107	0	34	-1.0	-49.58	300.07	1.11	-48.47
CN(C)C(=O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074108	0	36	-1.0	-49.63	307.06	-1.62	-51.25
CSC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074109	0	34	-1.0	-48.47	310.20	0.46	-48.01
CC[N@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074110	0	41	0.0	-64.48	327.91	0.94	-63.54
CC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074110	1	41	0.0	-65.14	327.87	1.01	-64.13
CCN(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074110	1	40	-1.0	-48.66	326.05	-1.33	-49.99
C=C1CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005074111	0	37	-1.0	-47.84	314.87	1.34	-46.50
CC1(NC(=O)C2CCC2F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074112	0	36	-1.0	-50.92	305.99	1.01	-49.91
CC1(NC(=O)C2=CN=CN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074113	0	33	-1.0	-52.04	291.90	-0.61	-52.65
CC1(NC(=O)C2=CCCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074114	0	35	-1.0	-49.49	302.65	-0.57	-50.06
CCC[C@H](O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074115	0	39	-1.0	-48.08	327.34	-1.00	-49.08
CC(C)[C@H](O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074116	0	39	-1.0	-49.02	321.67	-1.16	-50.18
CCOC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074117	0	37	-1.0	-49.05	321.22	-0.22	-49.27
C[C@@H](O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074118	0	33	-1.0	-49.82	285.36	-2.68	-52.50
CC1(NC(=O)CCCCF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074119	0	38	-1.0	-48.59	324.17	1.23	-47.36
CC1(NC(=O)C=CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074120	0	34	-1.0	-51.76	299.25	-3.22	-54.98
CC1(NC(=O)CCCCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074121	0	39	-1.0	-49.61	329.00	-2.25	-51.86
COC(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074122	0	33	-1.0	-50.98	293.21	-1.68	-52.66
CC1(NC(=O)C23CC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074123	0	37	-1.0	-48.71	313.52	1.53	-47.18
C=C[C@H](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074124	0	39	-1.0	-47.50	325.54	1.50	-46.00
CC1(NC(=O)C=CC2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074125	0	37	-1.0	-48.47	320.07	1.80	-46.67
CC=C(CC)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074126	0	39	-1.0	-48.26	323.92	1.53	-46.73
CC1(NC(=O)C2=CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074127	0	34	-1.0	-49.39	295.61	0.87	-48.52
CON=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074128	0	33	-1.0	-51.06	297.04	-1.89	-52.95
CC1(NC(=O)COCCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074129	0	37	-1.0	-53.54	320.52	-3.35	-56.89
CC1(NC(=O)C2=NOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074130	0	34	-1.0	-49.72	298.59	-1.53	-51.25
COCC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074131	0	37	-1.0	-47.99	318.70	-3.37	-51.36
CC1(NC(=O)COC2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074132	0	37	-1.0	-51.71	319.49	0.55	-51.16
CC1(NC(=O)C2=NC=CN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074133	0	33	-1.0	-51.86	293.00	-1.34	-53.20
CCCC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074134	0	39	-1.0	-48.20	330.74	1.68	-46.52
CC=C(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074135	0	33	-1.0	-47.63	293.12	0.21	-47.42
CCC(CO)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074136	0	39	-1.0	-49.41	322.07	-2.33	-51.74
CC(CO)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074137	0	36	-1.0	-48.82	304.72	-3.08	-51.90
CC1(NC(=O)C2=CON=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074138	0	32	-1.0	-50.97	288.01	-0.70	-51.67
CC1(NC(=O)[C@@H]2C[C@H]2CF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074139	0	36	-1.0	-51.79	313.14	1.12	-50.67
CC1(NC(=O)C2=COCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074140	0	35	-1.0	-48.98	301.26	-0.61	-49.59
C[C@H](O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074141	0	33	-1.0	-51.80	284.92	-2.66	-54.46
CC1(NC(=O)C2C=CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074142	0	37	-1.0	-48.62	310.35	1.42	-47.20
CC(O)C(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074143	0	39	-1.0	-48.20	320.98	-2.33	-50.53
C=C1CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074144	0	34	-1.0	-48.58	298.68	0.89	-47.69
CC(CF)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074145	0	35	-1.0	-47.47	300.12	0.35	-47.12
C=C(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074146	0	36	-1.0	-48.09	308.84	0.74	-47.35
CCSCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074147	0	36	-1.0	-50.03	319.10	0.88	-49.15
CC(C)=C(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074148	0	39	-1.0	-47.98	318.95	1.55	-46.43
CCCC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074149	0	39	-1.0	-47.87	327.34	-1.08	-48.95
CCC(O)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074150	0	39	-1.0	-50.38	326.74	-1.37	-51.75
CC(Cl)=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074151	0	33	-1.0	-49.26	300.43	0.66	-48.60
CC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074152	0	33	-1.0	-48.42	288.15	0.14	-48.28
CC1(NC(=O)[C@H]2C[C@@H](O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074153	0	37	-1.0	-51.19	312.85	-2.52	-53.71
C[C@@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074154	0	36	-1.0	-48.25	306.47	0.98	-47.27
CNC(=O)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074155	0	36	-1.0	-57.88	310.66	-1.52	-59.40
C=CC=CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074156	0	37	-1.0	-48.86	322.74	1.52	-47.34
CC1(NC(=O)CCC(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074157	0	36	-1.0	-51.75	312.27	-3.62	-55.37
CC(O)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074158	0	39	-1.0	-48.39	327.89	-2.19	-50.58
C#CCC(C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074159	0	37	-1.0	-48.30	319.74	1.39	-46.91
CC(CCO)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074160	0	39	-1.0	-50.99	323.68	-2.51	-53.50
CC1(NC(=O)[C@H](O)CF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074161	0	33	-1.0	-51.45	291.64	-2.44	-53.89
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC2)C1	REAL250005074162	0	36	-1.0	-46.64	307.52	1.28	-45.36
CC(C)(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074163	0	35	-1.0	-47.96	299.79	0.21	-47.75
CC(F)(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074164	0	32	-1.0	-46.71	287.28	-0.22	-46.93
COCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074165	0	33	-1.0	-49.59	289.53	-0.86	-50.45
CCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074166	0	35	-1.0	-46.44	298.31	0.50	-45.94
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CO2)C1	REAL250005074167	0	33	-1.0	-48.85	294.12	-0.10	-48.95
CC(=O)NCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074168	0	36	-1.0	-49.99	315.18	-2.58	-52.57
CC(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074169	0	38	-1.0	-45.99	315.03	1.10	-44.89
CC1CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074170	0	36	-1.0	-46.09	303.02	1.23	-44.86
CCOCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074171	0	36	-1.0	-49.57	311.38	0.10	-49.47
CC(C)=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074172	0	36	-1.0	-46.34	306.27	1.02	-45.32
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCO2)C1	REAL250005074173	0	37	-1.0	-50.97	312.01	0.22	-50.75
CSCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074174	0	33	-1.0	-48.59	299.87	0.17	-48.42
CSCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074175	0	36	-1.0	-46.55	321.54	0.98	-45.57
CC(C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074176	0	41	-1.0	-46.39	337.06	1.73	-44.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CN2)C1	REAL250005074177	0	34	-1.0	-49.17	294.77	-0.19	-49.36
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC=C2)C1	REAL250005074178	0	33	-1.0	-49.91	290.67	-0.28	-50.19
CCCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074179	0	41	-1.0	-46.46	340.99	1.99	-44.47
CC(C)(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074180	0	41	-1.0	-45.27	330.00	1.61	-43.66
CCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074181	0	38	-1.0	-46.38	319.81	1.28	-45.10
CC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074182	0	35	-1.0	-46.47	293.74	0.18	-46.29
CCC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074183	0	38	-1.0	-45.94	315.86	0.94	-45.00
CCC(CC)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074184	0	41	-1.0	-45.85	334.46	1.56	-44.29
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNC=C2)C1	REAL250005074185	0	33	-1.0	-51.07	292.67	-1.47	-52.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NN2)C1	REAL250005074185	1	33	-1.0	-48.37	289.43	-1.53	-49.90
CSC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074186	0	36	-1.0	-49.24	317.96	0.72	-48.52
CCOC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074187	0	39	-1.0	-49.32	328.69	0.64	-48.68
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CNN=C2)C1	REAL250005074188	0	33	-1.0	-49.66	289.22	-1.86	-51.52
COCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074189	0	39	-1.0	-48.68	331.67	-0.50	-49.18
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NOC=C2)C1	REAL250005074190	0	32	-1.0	-50.23	288.62	-0.68	-50.91
CCC=C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074191	0	39	-1.0	-47.16	320.02	1.23	-45.93
COC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074192	0	36	-1.0	-49.34	306.84	-0.31	-49.65
CC(C)OCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074193	0	39	-1.0	-49.39	331.66	0.84	-48.55
CCCOCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074194	0	39	-1.0	-49.40	332.88	0.90	-48.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCOC2)C1	REAL250005074195	0	37	-1.0	-47.03	309.66	-0.97	-48.00
CCC(OC)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074196	0	39	-1.0	-48.86	323.49	0.35	-48.51
COC(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074197	0	39	-1.0	-48.73	329.62	0.35	-48.38
C=CCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074198	0	36	-1.0	-46.14	311.12	1.07	-45.07
CCOCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074199	0	39	-1.0	-46.85	332.34	-0.22	-47.07
COCC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074200	0	39	-1.0	-46.24	330.27	-0.57	-46.81
C=CCOCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074201	0	37	-1.0	-49.66	324.29	0.68	-48.98
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC=N2)C1	REAL250005074202	0	32	-1.0	-49.59	288.76	-3.04	-52.63
CC(C#N)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074203	0	33	-1.0	-51.92	293.17	-0.20	-52.12
CCCC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074204	0	41	-1.0	-45.79	337.36	1.70	-44.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2CC2)C1	REAL250005074205	0	39	-1.0	-46.40	329.58	1.99	-44.41
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC=CC2)C1	REAL250005074206	0	37	-1.0	-46.50	310.53	1.43	-45.07
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCC2)C1	REAL250005074207	0	39	-1.0	-46.49	324.60	1.81	-44.68
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005074208	0	39	-1.0	-52.15	326.31	1.74	-50.41
CC=C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074209	0	36	-1.0	-52.77	300.39	0.60	-52.17
CC1CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005074210	0	39	-1.0	-46.31	323.10	1.61	-44.70
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2CCC2)C1	REAL250005074211	0	37	-1.0	-47.12	315.51	1.73	-45.39
CC(C)=C(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074212	0	36	-1.0	-46.44	308.57	0.95	-45.49
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CCCC2)C1	REAL250005074213	0	37	-1.0	-47.05	308.14	1.31	-45.74
CC1(C)CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074214	0	39	-1.0	-46.16	323.70	1.73	-44.43
CC1(C)C[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074215	0	39	-1.0	-46.17	323.71	1.74	-44.43
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCCO2)C1	REAL250005074216	0	37	-1.0	-50.99	312.14	0.24	-50.75
CCC(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074217	0	41	-1.0	-45.95	333.26	1.76	-44.19
C#CCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074218	0	37	-1.0	-48.77	325.27	1.73	-47.04
CC(C)(O)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074219	0	39	-1.0	-48.45	323.79	-1.14	-49.59
CC(C)[C@@H](O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074220	0	39	-1.0	-47.28	318.42	-1.00	-48.28
CCC(C)=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074221	0	39	-1.0	-46.05	327.74	1.80	-44.25
CC(C)C#CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074222	0	37	-1.0	-49.18	326.18	1.76	-47.42
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C#CC2CC2)C1	REAL250005074223	0	35	-1.0	-49.40	315.85	1.93	-47.47
CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074224	0	32	-1.0	-46.59	276.81	-0.26	-46.85
COCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074225	0	36	-1.0	-46.86	310.48	-1.19	-48.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC2)C1	REAL250005074226	0	33	-1.0	-46.96	286.99	0.43	-46.53
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC2)C1	REAL250005074227	0	36	-1.0	-46.48	303.28	1.01	-45.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC2)C1	REAL250005074228	0	39	-1.0	-46.52	316.51	1.47	-45.05
C=CCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074229	0	39	-1.0	-46.78	332.30	1.78	-45.00
CCC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074230	0	41	-1.0	-46.27	322.64	1.00	-45.27
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(N)=O)C1	REAL250005074231	0	30	-1.0	-48.46	269.95	-5.01	-53.47
CC1CC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074232	0	39	-1.0	-46.73	329.12	1.95	-44.78
CCC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005074233	0	39	-1.0	-46.66	330.05	1.67	-44.99
CC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074234	0	38	-1.0	-46.13	307.98	0.52	-45.61
C=C(C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074235	0	39	-1.0	-46.07	332.73	1.73	-44.34
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(CF)CC2)C1	REAL250005074236	0	36	-1.0	-47.49	305.97	0.77	-46.72
CC(C)C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074237	0	41	-1.0	-45.92	333.58	1.41	-44.51
CC[C@@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074238	0	39	-1.0	-46.79	330.10	1.95	-44.84
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC23CC3)C1	REAL250005074239	0	37	-1.0	-47.30	319.77	1.97	-45.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CCCO2)C1	REAL250005074240	0	37	-1.0	-50.88	312.34	0.32	-50.56
CC1(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005074241	0	39	-1.0	-46.17	327.52	1.77	-44.40
CC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005074242	0	36	-1.0	-46.99	301.26	0.69	-46.30
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CNC=C2)C1	REAL250005074243	0	34	-1.0	-51.66	294.50	-0.43	-52.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CO2)C1	REAL250005074244	0	32	-1.0	-49.08	288.93	-3.31	-52.39
C=CC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074245	0	39	-1.0	-46.29	317.53	0.97	-45.32
C[C@@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074246	0	36	-1.0	-46.61	308.48	1.17	-45.44
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)CCC2)C1	REAL250005074247	0	39	-1.0	-46.99	317.93	1.17	-45.82
CCC(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074248	0	35	-1.0	-45.85	303.48	0.48	-45.37
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCF)C1	REAL250005074249	0	35	-1.0	-48.37	304.90	0.64	-47.73
C[C@H]1C[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074250	0	36	-1.0	-46.72	308.49	1.18	-45.54
CC(C)C(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074251	0	38	-1.0	-46.32	322.89	0.98	-45.34
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNN=C2)C1	REAL250005074252	0	32	-1.0	-47.77	287.43	-2.89	-50.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CO)C1	REAL250005074253	0	30	-1.0	-51.00	266.97	-3.22	-54.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC(N)=O)C1	REAL250005074254	0	34	-1.0	-51.03	306.54	-3.63	-54.66
COC(=O)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074255	0	35	-1.0	-53.00	308.75	0.75	-52.25
CSC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074256	0	34	-1.0	-47.26	312.03	0.63	-46.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC(N)=O)C1	REAL250005074257	0	36	-1.0	-50.31	314.49	-3.43	-53.74
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCO2)C1	REAL250005074258	0	34	-1.0	-50.24	294.20	-0.64	-50.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(Cl)CC2)C1	REAL250005074259	0	33	-1.0	-46.78	297.55	0.76	-46.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CCCO2)C1	REAL250005074260	0	35	-1.0	-47.43	302.35	-0.36	-47.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2COC2)C1	REAL250005074261	0	34	-1.0	-47.17	294.12	-1.76	-48.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CCO)C1	REAL250005074262	0	34	-1.0	-49.42	301.24	-3.03	-52.45
CC=CC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074263	0	37	-1.0	-46.71	318.55	-1.13	-47.84
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074264	0	41	0.0	-62.39	330.29	0.83	-61.56
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005074264	1	40	-1.0	-46.76	328.19	-1.45	-48.21
CCC=C(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074265	0	36	-1.0	-46.13	313.31	1.00	-45.13
CCC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074266	0	36	-1.0	-46.79	311.23	1.09	-45.70
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN=[N+]=[N-])C1	REAL250005074267	0	34	-1.0	-45.62	306.95	-3.65	-49.27
C#CCOCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074268	0	35	-1.0	-52.02	317.17	0.64	-51.38
CC(O)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074269	0	39	-1.0	-47.22	330.15	-2.00	-49.22
C#CCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074270	0	34	-1.0	-46.96	304.09	1.02	-45.94
CC=CC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074271	0	37	-1.0	-47.27	325.29	1.77	-45.50
COCC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074272	0	37	-1.0	-48.15	323.49	-0.63	-48.78
CCC(C)(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074273	0	39	-1.0	-46.66	322.50	-2.17	-48.83
C#CCC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074274	0	37	-1.0	-46.26	323.05	1.48	-44.78
C=CC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074275	0	34	-1.0	-46.76	296.84	-1.97	-48.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC2CC3)C1	REAL250005074276	0	37	-1.0	-47.21	314.47	1.63	-45.58
C=C[C@H](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074277	0	39	-1.0	-46.26	327.48	1.55	-44.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2CC2)C1	REAL250005074278	0	37	-1.0	-46.98	322.11	1.91	-45.07
CCC(C#N)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074279	0	36	-1.0	-45.44	315.22	0.50	-44.94
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C3CCC32)C1	REAL250005074280	0	37	-1.0	-46.58	309.80	1.81	-44.77
C=C1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074281	0	37	-1.0	-46.92	314.69	1.43	-45.49
C[C@H]1C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[C@H]1C	REAL250005074282	0	39	-1.0	-46.89	325.47	1.66	-45.23
CC[N@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074283	0	41	0.0	-61.92	329.90	1.12	-60.80
CC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074283	1	41	0.0	-61.91	330.13	1.12	-60.79
CCN(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074283	1	40	-1.0	-47.06	328.28	-1.17	-48.23
CC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074284	0	33	-1.0	-48.25	285.13	-2.53	-50.78
CC(=O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074285	0	31	-1.0	-46.97	277.36	-1.21	-48.18
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC#N)C1	REAL250005074286	0	36	-1.0	-53.06	318.85	0.95	-52.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C#N)CC2)C1	REAL250005074287	0	34	-1.0	-46.06	304.18	0.45	-45.61
C=C1CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005074288	0	37	-1.0	-46.32	317.09	1.53	-44.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(F)CC2)C1	REAL250005074289	0	33	-1.0	-47.42	290.50	0.44	-46.98
COC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074290	0	39	-1.0	-45.63	320.28	-0.76	-46.39
CC(CC#N)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074291	0	36	-1.0	-48.65	316.76	0.61	-48.04
CCC1CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074292	0	39	-1.0	-46.06	324.42	1.96	-44.10
C=CC(C)(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074293	0	37	-1.0	-47.12	315.86	-2.11	-49.23
CCCC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074294	0	39	-1.0	-46.59	332.73	1.87	-44.72
CC=C(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074295	0	33	-1.0	-46.40	293.00	0.26	-46.14
C[C@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074296	0	41	0.0	-59.71	329.63	0.84	-58.87
C[C@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005074296	1	40	-1.0	-47.28	322.21	-1.66	-48.94
CCOC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074297	0	37	-1.0	-47.87	323.07	-0.07	-47.94
CC(=O)OCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074298	0	35	-1.0	-50.81	312.88	0.73	-50.08
CC(=O)C=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074299	0	35	-1.0	-49.31	313.54	0.22	-49.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2CC2)C1	REAL250005074300	0	37	-1.0	-50.19	321.75	0.88	-49.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CN2)C1	REAL250005074301	0	33	-1.0	-50.39	292.85	-1.06	-51.45
CC(CO)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074302	0	36	-1.0	-46.99	308.01	-2.97	-49.96
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CON=C2)C1	REAL250005074303	0	32	-1.0	-48.23	285.43	-0.85	-49.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCCO)C1	REAL250005074304	0	39	-1.0	-48.14	330.91	-2.12	-50.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C2CC2)C1	REAL250005074305	0	35	-1.0	-47.08	307.72	0.38	-46.70
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2(O)CC2)C1	REAL250005074306	0	37	-1.0	-49.15	318.52	-2.24	-51.39
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC2F)C1	REAL250005074307	0	36	-1.0	-47.29	309.79	1.04	-46.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2C[C@H]2CF)C1	REAL250005074308	0	36	-1.0	-47.58	315.05	1.24	-46.34
CCC(CO)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074309	0	39	-1.0	-47.23	320.50	-2.08	-49.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2C[C@@H]2C#N)C1	REAL250005074310	0	34	-1.0	-54.81	303.96	0.73	-54.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COCC2)C1	REAL250005074311	0	35	-1.0	-47.54	298.38	-0.75	-48.29
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(O)CC2)C1	REAL250005074312	0	34	-1.0	-46.82	299.15	-2.98	-49.80
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CCC2)C1	REAL250005074313	0	34	-1.0	-47.91	294.04	0.85	-47.06
CC(CF)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074314	0	35	-1.0	-45.42	303.41	0.43	-44.99
CC(Cl)=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074315	0	33	-1.0	-47.54	302.41	0.84	-46.70
CC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074316	0	33	-1.0	-47.08	290.14	0.33	-46.75
CC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1F	REAL250005074317	0	36	-1.0	-50.98	307.24	0.77	-50.21
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CCF)C1	REAL250005074318	0	33	-1.0	-47.74	296.32	0.45	-47.29
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(CO)CC2)C1	REAL250005074319	0	37	-1.0	-50.04	317.65	-2.47	-52.51
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NO2)C1	REAL250005074320	0	32	-1.0	-48.35	288.69	-0.64	-48.99
C[C@H](O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074322	0	33	-1.0	-46.57	282.81	-2.56	-49.13
CON=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074323	0	33	-1.0	-49.91	298.84	-1.78	-51.69
CC(C)[C@H](O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074324	0	39	-1.0	-45.33	315.93	-0.45	-45.78
C#CC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005074325	0	35	-1.0	-46.66	307.43	1.28	-45.38
C=CC=CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074326	0	37	-1.0	-46.87	324.97	1.71	-45.16
C#C[C@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074327	0	35	-1.0	-48.79	310.19	1.67	-47.12
CC=C(CC)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074328	0	39	-1.0	-46.25	315.52	1.29	-44.96
COC(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074329	0	33	-1.0	-50.17	294.56	-1.48	-51.65
COCC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074330	0	37	-1.0	-49.78	318.58	-3.24	-53.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2C[C@H]2C#N)C1	REAL250005074331	0	34	-1.0	-50.49	307.99	0.84	-49.65
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005074332	0	37	-1.0	-49.93	314.95	-2.39	-52.32
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COCCO)C1	REAL250005074333	0	37	-1.0	-53.58	322.76	-3.03	-56.61
CC(C)(CF)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074334	0	38	-1.0	-45.45	313.05	0.60	-44.85
CC(C)(CO)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074335	0	39	-1.0	-46.90	317.41	-2.70	-49.60
C=CCC(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074336	0	39	-1.0	-45.72	329.12	1.49	-44.23
C[C@@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074337	0	36	-1.0	-46.61	308.48	1.17	-45.44
CC(C)(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074338	0	36	-1.0	-46.77	305.68	-2.85	-49.62
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NOCC2)C1	REAL250005074339	0	34	-1.0	-48.52	298.49	-1.38	-49.90
CC(C#N)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074340	0	36	-1.0	-47.76	314.35	0.78	-46.98
CC(CCO)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074341	0	39	-1.0	-48.53	327.28	-2.40	-50.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](O)CF)C1	REAL250005074342	0	33	-1.0	-47.16	289.40	-2.47	-49.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(O)CCC2)C1	REAL250005074343	0	37	-1.0	-45.38	308.03	-2.04	-47.42
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(O)C2CC2)C1	REAL250005074344	0	37	-1.0	-46.13	311.68	-0.74	-46.87
C=C(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074345	0	36	-1.0	-46.68	311.07	0.92	-45.76
CC(C)(C#N)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074346	0	36	-1.0	-52.50	310.49	0.13	-52.37
CCSCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074347	0	36	-1.0	-48.46	321.34	1.06	-47.40
CC(C)=C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074348	0	39	-1.0	-47.58	326.57	1.74	-45.84
CNC(=O)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074349	0	36	-1.0	-56.33	312.90	-1.19	-57.52
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC(F)C2)C1	REAL250005074350	0	36	-1.0	-45.52	309.90	1.11	-44.41
C=CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074351	0	33	-1.0	-46.51	289.72	0.28	-46.23
C[NH+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074352	0	38	0.0	-62.96	312.39	0.45	-62.51
CN(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074352	1	37	-1.0	-46.96	310.31	-1.95	-48.91
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC#N)C1	REAL250005074353	0	30	-1.0	-53.50	275.96	-0.64	-54.14
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC2F)C1	REAL250005074354	0	33	-1.0	-45.44	293.90	0.60	-44.84
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074355	0	41	0.0	-62.39	330.29	0.83	-61.56
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)N(C)C	REAL250005074355	1	40	-1.0	-46.76	328.19	-1.45	-48.21
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCF)C1	REAL250005074356	0	32	-1.0	-46.08	283.40	-0.11	-46.19
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C=CCC2)C1	REAL250005074357	0	37	-1.0	-46.51	308.67	1.38	-45.13
C#CC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074358	0	37	-1.0	-46.33	316.56	1.04	-45.29
CO[C@H](C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074359	0	36	-1.0	-49.30	306.61	-0.33	-49.63
CC(=O)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074360	0	37	-1.0	-48.79	321.51	0.42	-48.37
C[C@@H](O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074361	0	33	-1.0	-48.17	284.90	-2.54	-50.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CCC2)C1	REAL250005074362	0	38	-1.0	-47.24	317.95	-2.35	-49.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC2)C1	REAL250005074362	1	39	0.0	-62.21	322.27	0.87	-61.34
CC(O)C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074363	0	39	-1.0	-48.76	321.23	-1.39	-50.15
C=C1CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074364	0	34	-1.0	-47.17	300.66	1.09	-46.08
COC(OC)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074365	0	37	-1.0	-51.17	311.62	-1.21	-52.38
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)COC2)C1	REAL250005074366	0	37	-1.0	-47.19	310.07	-1.44	-48.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC(=O)N2)C1	REAL250005074367	0	34	-1.0	-52.21	301.53	-3.58	-55.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CC(=O)N2)C1	REAL250005074368	0	34	-1.0	-52.19	301.47	-3.56	-55.75
CCC[C@H](O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074369	0	39	-1.0	-46.33	325.02	-0.97	-47.30
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(F)CCC2)C1	REAL250005074370	0	36	-1.0	-44.80	308.95	0.99	-43.81
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CNC=N2)C1	REAL250005074371	0	33	-1.0	-51.90	292.62	-0.25	-52.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CN2)C1	REAL250005074371	1	33	-1.0	-50.21	289.59	-0.43	-50.64
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC(=O)C2)C1	REAL250005074372	0	35	-1.0	-51.61	305.46	0.02	-51.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(O)COC2)C1	REAL250005074373	0	35	-1.0	-46.28	301.88	-4.49	-50.77
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)=C1CC1	REAL250005074374	0	37	-1.0	-47.64	323.40	1.85	-45.79
CC1=CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074375	0	34	-1.0	-47.54	302.09	1.23	-46.31
CN(C)C(=O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074376	0	36	-1.0	-48.99	306.65	-1.50	-50.49
CCCC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074377	0	39	-1.0	-47.74	327.22	-0.95	-48.69
CCC(O)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074378	0	39	-1.0	-48.78	328.98	-1.10	-49.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCCF)C1	REAL250005074379	0	38	-1.0	-47.06	326.09	1.35	-45.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CC(=O)N2)C1	REAL250005074380	0	34	-1.0	-52.41	301.44	-3.64	-56.05
COC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005074381	0	37	-1.0	-45.62	316.95	-0.54	-46.16
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CSC2)C1	REAL250005074382	0	34	-1.0	-46.59	303.42	0.65	-45.94
C=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074383	0	30	-1.0	-47.11	268.42	-0.55	-47.66
CC1(NC(=O)C2CC(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074384	0	34	-1.0	-56.03	299.74	-3.68	-59.71
CC1(NC(=O)C2CC(F)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074385	0	36	-1.0	-47.14	307.87	0.99	-46.15
CC1(NC(=O)C2=CC=NO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074386	0	32	-1.0	-49.40	288.69	-0.72	-50.12
CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL250005074387	0	41	-1.0	-53.80	316.01	1.68	-52.12
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL250005074388	0	38	-1.0	-54.00	295.70	0.87	-53.13
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CO	REAL250005074389	0	39	-1.0	-51.17	306.54	-1.12	-52.29
CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074390	0	41	-1.0	-54.19	319.21	2.00	-52.19
CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074391	0	38	-1.0	-55.03	297.18	1.22	-53.81
CC1(C)CCN(C(=O)CO)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005074392	0	39	-1.0	-59.49	309.69	-0.90	-60.39
C=CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074393	0	39	-1.0	-54.53	309.99	1.71	-52.82
CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005074394	0	35	-1.0	-45.56	293.08	0.72	-44.84
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005074395	0	32	-1.0	-49.95	269.91	-0.17	-50.12
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC1	REAL250005074396	0	36	-1.0	-45.13	303.60	1.49	-43.64
CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005074397	0	38	-1.0	-49.67	311.70	1.42	-48.25
CC(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005074398	0	38	-1.0	-49.57	309.74	1.33	-48.24
C=CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005074399	0	36	-1.0	-47.39	304.79	1.12	-46.27
O=C(CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005074400	0	33	-1.0	-51.32	282.34	-2.34	-53.66
CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL250005074401	0	36	-1.0	-49.07	305.05	1.19	-47.88
CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005074402	0	38	-1.0	-46.90	316.13	1.62	-45.28
CC(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005074403	0	38	-1.0	-46.45	315.16	1.42	-45.03
CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005074404	0	35	-1.0	-47.11	295.94	0.90	-46.21
CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005074405	0	32	-1.0	-49.82	273.40	0.04	-49.78
O=C(NC1CCN(C(=O)C2CC2)CC1F)C1=CC(=O)[N-]O1	REAL250005074406	0	36	-1.0	-47.57	303.02	1.54	-46.03
O=C(CO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005074407	0	33	-1.0	-51.53	286.42	-2.00	-53.53
CC(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005074408	0	34	-1.0	-45.15	296.85	0.04	-45.11
CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005074409	0	36	-1.0	-46.78	308.41	1.48	-45.30
C=CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005074410	0	36	-1.0	-47.13	308.85	1.44	-45.69
N#CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005074411	0	33	-1.0	-56.12	295.40	0.59	-55.53
C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL250005074412	0	33	-1.0	-47.31	285.41	0.57	-46.74
CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005074413	0	39	-1.0	-48.36	308.84	2.01	-46.35
CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005074414	0	36	-1.0	-50.86	284.54	1.70	-49.16
O=C(CO)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005074415	0	37	-1.0	-52.42	299.31	-0.91	-53.33
CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL250005074416	0	39	-1.0	-47.74	311.57	2.22	-45.52
CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL250005074417	0	36	-1.0	-48.15	291.26	1.41	-46.74
O=C(CO)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL250005074418	0	37	-1.0	-52.27	302.04	-0.67	-52.94
C=CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL250005074419	0	37	-1.0	-48.07	302.66	1.89	-46.18
CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074420	0	41	-1.0	-45.70	321.80	2.25	-43.45
CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074421	0	38	-1.0	-46.07	301.21	1.44	-44.63
O=C(CO)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074422	0	39	-1.0	-49.50	312.27	-0.67	-50.17
CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074423	0	41	-1.0	-50.94	324.83	2.55	-48.39
CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074424	0	38	-1.0	-50.89	303.77	1.74	-49.15
O=C(CO)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074425	0	39	-1.0	-56.12	315.32	-0.34	-56.46
C=CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074426	0	39	-1.0	-45.26	311.98	2.30	-42.96
CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074427	0	35	-1.0	-49.50	300.30	0.56	-48.94
COCCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074428	0	39	-1.0	-49.36	333.97	-0.37	-49.73
CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074429	0	32	-1.0	-49.78	279.99	-0.25	-50.03
C[C@H](NC(=O)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074430	0	36	-1.0	-49.53	310.52	1.40	-48.13
C[C@H](NC(=O)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074431	0	39	-1.0	-49.48	326.28	1.90	-47.58
C[C@H](NC(=O)CC1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074432	0	39	-1.0	-49.52	329.80	1.96	-47.56
C[C@H](NC(=O)C(C)(C)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074433	0	38	-1.0	-47.70	326.76	1.21	-46.49
COCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074434	0	36	-1.0	-52.55	313.02	-0.07	-52.62
CCCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074435	0	38	-1.0	-49.34	321.80	1.32	-48.02
CC(C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074436	0	41	-1.0	-48.86	338.53	1.92	-46.94
C[C@H](NC(=O)C1CC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074437	0	39	-1.0	-49.44	331.92	2.06	-47.38
CCOCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074438	0	39	-1.0	-52.55	334.88	0.88	-51.67
CC(C)=CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074439	0	39	-1.0	-48.76	329.49	1.96	-46.80
CSCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074440	0	36	-1.0	-51.75	323.36	0.98	-50.77
CCCCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074441	0	41	-1.0	-49.36	343.30	2.10	-47.26
CC(C)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074442	0	38	-1.0	-49.01	319.85	1.22	-47.79
CCC(C)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074443	0	41	-1.0	-48.96	337.97	1.87	-47.09
COC(C)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074444	0	39	-1.0	-52.61	331.73	0.76	-51.85
C=CCCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074445	0	39	-1.0	-49.21	334.61	1.89	-47.32
CC=C(C)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074446	0	39	-1.0	-49.65	328.33	1.95	-47.70
C[C@H](NC(=O)C1(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074447	0	39	-1.0	-49.22	328.27	2.01	-47.21
C[C@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074448	0	39	-1.0	-49.40	331.89	2.07	-47.33
CCC(F)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074449	0	38	-1.0	-49.86	328.07	1.37	-48.49
C[C@H](NC(=O)CCCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074450	0	38	-1.0	-52.04	328.39	1.46	-50.58
C[C@H](NC(=O)[C@H]1C[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074451	0	39	-1.0	-49.10	332.18	2.00	-47.10
C[C@H](NC(=O)C(N)=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074452	0	33	-1.0	-48.66	295.37	-4.02	-52.68
C[C@H](NC(=O)C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074453	0	41	-1.0	-49.27	338.45	1.87	-47.40
C=CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074454	0	36	-1.0	-49.60	313.21	1.10	-48.50
C[C@H](NC(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074455	0	41	0.0	-73.96	335.89	1.28	-72.68
C[C@H](NC(=O)CN(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074455	1	40	-1.0	-49.74	333.80	-1.10	-50.84
C=CC(O)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074456	0	37	-1.0	-49.67	324.31	-1.05	-50.72
C[C@H](NC(=O)C1COC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074457	0	37	-1.0	-50.52	317.37	-0.86	-51.38
CO[C@H](C)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074458	0	39	-1.0	-52.56	332.51	0.71	-51.85
CCC=CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074459	0	39	-1.0	-49.51	334.68	2.03	-47.48
C[C@H](NC(=O)CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074461	0	33	-1.0	-54.06	290.77	-2.36	-56.42
CC(O)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074462	0	36	-1.0	-53.52	310.64	-1.55	-55.07
C[C@H](NC(=O)C1CC1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074463	0	36	-1.0	-53.30	314.11	1.40	-51.90
C[C@H](NC(=O)CCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074464	0	35	-1.0	-49.00	306.89	0.70	-48.30
C[C@H](NC(=O)C=CCF)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074465	0	36	-1.0	-51.64	319.78	1.36	-50.28
C#CCCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074466	0	37	-1.0	-49.56	327.58	1.84	-47.72
C[C@H](NC(=O)C1CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074467	0	37	-1.0	-53.31	317.36	0.03	-53.28
C[C@H](NC(=O)C(C)(C)O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074468	0	39	-1.0	-47.92	330.78	-2.03	-49.95
CC1=CC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074469	0	37	-1.0	-50.17	325.53	2.12	-48.05
C[C@@H](O)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074470	0	36	-1.0	-53.92	311.14	-1.52	-55.44
C[C@H](NC(=O)C=CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074471	0	37	-1.0	-52.92	324.70	-2.09	-55.01
C[C@H](NC(=O)C1=CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074472	0	37	-1.0	-50.13	321.03	1.98	-48.15
CON=CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074473	0	36	-1.0	-52.74	322.46	-0.75	-53.49
C[C@H](NC(=O)C1(F)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074474	0	36	-1.0	-47.53	316.89	1.46	-46.07
CC=C(F)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074475	0	36	-1.0	-47.33	318.56	1.32	-46.01
CC(CO)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074476	0	39	-1.0	-49.63	330.15	-1.98	-51.61
C[C@H](O)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074477	0	36	-1.0	-50.50	310.80	-1.50	-52.00
C=C1CC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074478	0	37	-1.0	-49.54	324.10	1.97	-47.57
CC(CF)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074479	0	38	-1.0	-48.71	325.55	1.44	-47.27
C=C(C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074480	0	39	-1.0	-49.43	334.82	1.75	-47.68
CC=CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074481	0	36	-1.0	-49.72	313.59	1.25	-48.47
C[C@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074482	0	39	-1.0	-49.40	331.89	2.07	-47.33
C[C@H](NC(=O)C1(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074483	0	37	-1.0	-49.30	318.84	-1.66	-50.96
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC2)C1	REAL250005074484	0	39	-1.0	-51.58	332.99	2.30	-49.28
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)F)C1	REAL250005074485	0	38	-1.0	-48.96	324.50	1.22	-47.74
COCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074486	0	36	-1.0	-54.68	314.60	0.16	-54.52
CCCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074487	0	38	-1.0	-51.20	323.37	1.52	-49.68
CC(C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074488	0	41	-1.0	-50.52	340.40	2.03	-48.49
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2C)C1	REAL250005074489	0	39	-1.0	-50.47	328.32	2.24	-48.23
CCOCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074490	0	39	-1.0	-54.73	336.45	1.12	-53.61
CC(C)=CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074491	0	39	-1.0	-50.51	331.21	2.05	-48.46
CSCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074492	0	36	-1.0	-53.64	324.94	1.19	-52.45
CCCCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074493	0	41	-1.0	-51.20	344.87	2.30	-48.90
CC(C)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074494	0	38	-1.0	-46.81	322.14	1.30	-45.51
CCC(C)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074495	0	41	-1.0	-51.17	341.05	1.97	-49.20
COC(C)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074496	0	39	-1.0	-54.54	329.80	0.68	-53.86
C=CCCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074497	0	39	-1.0	-50.97	336.19	2.08	-48.89
CC(C#N)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074498	0	36	-1.0	-57.87	322.40	0.87	-57.00
CC=C(C)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074499	0	39	-1.0	-52.06	325.11	1.58	-50.48
CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074500	0	35	-1.0	-51.15	302.18	0.68	-50.47
COCCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074501	0	39	-1.0	-50.50	335.55	-0.17	-50.67
CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074502	0	32	-1.0	-47.57	279.83	-0.28	-47.85
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2)C1	REAL250005074503	0	36	-1.0	-51.33	312.40	1.52	-49.81
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2)C1	REAL250005074504	0	39	-1.0	-51.36	328.79	2.03	-49.33
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(N)=O)C1	REAL250005074505	0	33	-1.0	-47.94	295.41	-4.09	-52.03
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C)C1	REAL250005074506	0	41	-1.0	-51.31	333.14	1.53	-49.78
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC2)C1	REAL250005074507	0	39	-1.0	-51.64	332.66	2.00	-49.64
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2C[C@H]2C)C1	REAL250005074508	0	39	-1.0	-47.12	332.72	2.00	-45.12
CCC(F)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074509	0	38	-1.0	-51.00	329.38	1.43	-49.57
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCF)C1	REAL250005074510	0	38	-1.0	-54.00	329.96	1.66	-52.34
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[C@@H]2C)C1	REAL250005074511	0	39	-1.0	-51.20	333.95	2.18	-49.02
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CO)C1	REAL250005074512	0	33	-1.0	-56.43	292.34	-2.12	-58.55
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCO2)C1	REAL250005074513	0	37	-1.0	-56.32	320.32	0.31	-56.01
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2COC2)C1	REAL250005074514	0	37	-1.0	-49.72	318.06	-0.95	-50.67
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CCO)C1	REAL250005074515	0	37	-1.0	-54.86	326.31	-2.01	-56.87
CCC=CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074516	0	39	-1.0	-51.13	336.70	2.03	-49.10
C#CCCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074517	0	37	-1.0	-50.94	329.15	2.04	-48.90
C=CC(O)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074518	0	37	-1.0	-51.45	319.60	-0.85	-52.30
CC(O)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074519	0	36	-1.0	-51.97	308.53	-1.61	-53.58
CC(=O)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074520	0	34	-1.0	-47.46	301.42	-0.19	-47.65
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC2)C1	REAL250005074521	0	36	-1.0	-48.09	316.24	1.45	-46.64
CC=C(F)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074522	0	36	-1.0	-48.05	318.06	1.28	-46.77
CC(CO)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074523	0	39	-1.0	-47.48	332.98	-2.00	-49.48
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(O)CC2)C1	REAL250005074524	0	37	-1.0	-49.39	324.35	-1.91	-51.30
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CCC2)C1	REAL250005074525	0	37	-1.0	-52.52	320.22	1.96	-50.56
CC(CF)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074526	0	38	-1.0	-46.25	327.90	1.42	-44.83
CC=CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074527	0	36	-1.0	-51.54	315.21	1.35	-50.19
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CCF)C1	REAL250005074528	0	36	-1.0	-53.13	321.80	1.39	-51.74
C[C@H](O)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074530	0	36	-1.0	-51.99	310.35	-1.51	-53.50
CON=CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074531	0	36	-1.0	-53.20	324.52	-0.77	-53.97
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2C[C@H]2C)C1	REAL250005074532	0	39	-1.0	-47.12	332.72	2.00	-45.12
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)O)C1	REAL250005074533	0	39	-1.0	-48.97	330.72	-1.84	-50.81
C=C(C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074534	0	39	-1.0	-51.08	336.40	1.95	-49.13
C=CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074535	0	36	-1.0	-51.37	314.79	1.30	-50.07
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](C)C)C1	REAL250005074536	0	41	0.0	-73.58	337.77	1.38	-72.20
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN(C)C)C1	REAL250005074536	1	40	-1.0	-51.64	335.38	-0.95	-52.59
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC#N)C1	REAL250005074537	0	33	-1.0	-60.05	301.34	0.44	-59.61
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC2F)C1	REAL250005074538	0	36	-1.0	-55.76	318.61	1.59	-54.17
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCF)C1	REAL250005074539	0	35	-1.0	-49.96	308.47	0.91	-49.05
CO[C@H](C)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074540	0	39	-1.0	-54.54	329.95	0.69	-53.85
C[C@@H](O)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074541	0	36	-1.0	-48.04	308.99	-1.64	-49.68
C=C1CC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074542	0	37	-1.0	-51.21	325.96	2.10	-49.11
CC1=CC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074543	0	37	-1.0	-51.96	327.56	2.25	-49.71
C=CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074544	0	33	-1.0	-51.53	293.89	0.38	-51.15
CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL250005074545	0	41	-1.0	-45.98	313.30	0.96	-45.02
CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074546	0	41	-1.0	-51.14	314.66	1.19	-49.95
CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074547	0	32	-1.0	-48.29	276.44	0.17	-48.12
CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074548	0	29	-1.0	-46.36	258.48	-0.67	-47.03
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC1	REAL250005074549	0	33	-1.0	-47.80	288.74	0.81	-46.99
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC1	REAL250005074550	0	36	-1.0	-45.93	305.80	1.40	-44.53
O=C(CC1CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074551	0	36	-1.0	-48.53	308.35	1.61	-46.92
COCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074552	0	33	-1.0	-51.07	290.94	-0.62	-51.69
CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074553	0	35	-1.0	-45.88	300.60	0.90	-44.98
CC(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074554	0	38	-1.0	-47.72	316.52	1.39	-46.33
CC1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074555	0	36	-1.0	-47.50	304.74	1.53	-45.97
CC(C)=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074556	0	36	-1.0	-47.34	307.77	1.35	-45.99
CCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074557	0	38	-1.0	-45.95	322.06	1.69	-44.26
CC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074558	0	35	-1.0	-45.73	298.64	0.81	-44.92
CCC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074559	0	38	-1.0	-47.80	315.02	1.38	-46.42
C=CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074560	0	36	-1.0	-47.78	312.53	1.36	-46.42
CC=C(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074561	0	36	-1.0	-45.70	306.40	1.42	-44.28
CC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL250005074562	0	36	-1.0	-48.10	305.77	1.43	-46.67
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074563	0	36	-1.0	-45.33	310.00	1.58	-43.75
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074564	0	36	-1.0	-47.82	310.19	1.48	-46.34
NC(=O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074565	0	30	-1.0	-49.04	274.43	-4.53	-53.57
CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074566	0	38	-1.0	-47.83	314.88	1.40	-46.43
C=CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074567	0	33	-1.0	-48.68	290.40	0.60	-48.08
C=CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074568	0	34	-1.0	-46.16	299.46	-1.26	-47.42
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1COC1	REAL250005074569	0	34	-1.0	-48.74	295.66	-1.47	-50.21
CCC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074570	0	36	-1.0	-48.32	312.11	1.45	-46.87
O=C(CO)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074572	0	30	-1.0	-52.99	267.92	-2.86	-55.85
CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074573	0	33	-1.0	-48.44	287.17	-1.96	-50.40
O=C(CCF)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074574	0	32	-1.0	-45.89	285.66	0.28	-45.61
C#CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074575	0	34	-1.0	-46.59	306.37	1.42	-45.17
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCO1	REAL250005074576	0	34	-1.0	-51.56	296.07	-0.45	-52.01
CC1=CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074577	0	34	-1.0	-46.41	303.61	1.62	-44.79
C[C@@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074578	0	33	-1.0	-49.44	287.23	-1.96	-51.40
O=C(C=CCO)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074579	0	34	-1.0	-51.40	302.12	-2.68	-54.08
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CCC1	REAL250005074580	0	34	-1.0	-47.12	299.54	1.42	-45.70
C[C@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074581	0	33	-1.0	-48.84	288.24	-2.07	-50.91
C=C1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074582	0	34	-1.0	-47.76	302.35	1.38	-46.38
C=C(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074583	0	36	-1.0	-47.27	311.31	1.32	-45.95
CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074584	0	33	-1.0	-47.90	291.84	0.67	-47.23
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL250005074585	0	36	-1.0	-45.33	310.00	1.58	-43.75
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1(O)CC1	REAL250005074586	0	34	-1.0	-47.02	297.05	-2.27	-49.29
O=C(CC1CC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074587	0	36	-1.0	-47.74	313.04	1.85	-45.89
COCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074588	0	33	-1.0	-54.94	294.72	-0.31	-55.25
CCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074589	0	35	-1.0	-47.49	303.60	1.08	-46.41
CC(C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074590	0	38	-1.0	-47.76	319.20	1.64	-46.12
CC1CC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074591	0	36	-1.0	-47.61	307.40	1.76	-45.85
CC(C)=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074592	0	36	-1.0	-51.31	308.92	1.47	-49.84
CCCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074593	0	38	-1.0	-48.02	323.52	1.77	-46.25
CC(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074594	0	35	-1.0	-46.38	299.71	0.79	-45.59
CCC(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074595	0	38	-1.0	-47.98	314.25	1.28	-46.70
C=CCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074596	0	36	-1.0	-48.01	314.83	1.55	-46.46
CC(C#N)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074597	0	33	-1.0	-53.18	300.10	0.29	-52.89
CC=C(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074598	0	36	-1.0	-51.90	313.83	1.34	-50.56
CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074599	0	32	-1.0	-49.18	280.68	0.16	-49.02
CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074600	0	29	-1.0	-51.85	261.66	-0.49	-52.34
O=C(N[C@@H]1CN(C(=O)C2CC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL250005074601	0	33	-1.0	-47.30	292.14	1.03	-46.27
O=C(N[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL250005074602	0	36	-1.0	-48.06	307.36	1.54	-46.52
NC(=O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074603	0	30	-1.0	-46.74	273.51	-4.39	-51.13
CC(C)(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074604	0	38	-1.0	-47.13	310.30	0.96	-46.17
CC1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL250005074605	0	36	-1.0	-47.52	310.81	1.36	-46.16
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074606	0	36	-1.0	-48.09	311.89	1.69	-46.40
C[C@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074607	0	36	-1.0	-48.89	312.07	1.54	-47.35
O=C(CO)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074608	0	30	-1.0	-56.62	272.44	-2.59	-59.21
O=C(N[C@@H]1CN(C(=O)C2CCO2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL250005074609	0	34	-1.0	-51.99	297.83	-0.17	-52.16
O=C(N[C@@H]1CN(C(=O)C2COC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL250005074610	0	34	-1.0	-47.80	299.40	-1.23	-49.03
O=C(C=CCO)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074611	0	34	-1.0	-55.70	304.08	-2.60	-58.30
CCC=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074612	0	36	-1.0	-51.15	315.12	1.52	-49.63
C#CCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074613	0	34	-1.0	-47.47	309.38	1.58	-45.89
C=CC(O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074614	0	34	-1.0	-48.67	301.39	-1.47	-50.14
CC(O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074615	0	33	-1.0	-48.84	286.99	-2.19	-51.03
CC(=O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074616	0	31	-1.0	-47.73	281.20	-0.61	-48.34
O=C(N[C@@H]1CN(C(=O)C2(O)CC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL250005074617	0	34	-1.0	-46.64	297.34	-2.01	-48.65
O=C(N[C@@H]1CN(C(=O)C2=CCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL250005074618	0	34	-1.0	-48.62	296.13	1.29	-47.33
CC=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074619	0	33	-1.0	-52.39	293.02	0.76	-51.63
C[C@H](O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074621	0	33	-1.0	-48.20	288.21	-2.02	-50.22
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074622	0	36	-1.0	-48.09	311.89	1.69	-46.40
C=C(C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074623	0	36	-1.0	-48.02	314.78	1.40	-46.62
C=CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074624	0	33	-1.0	-47.81	295.00	0.86	-46.95
N#CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074625	0	30	-1.0	-60.62	281.43	-0.02	-60.64
O=C(CCF)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074626	0	32	-1.0	-47.45	287.62	0.42	-47.03
C[C@@H](O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074627	0	33	-1.0	-53.60	286.86	-2.20	-55.80
C=C1CC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074628	0	34	-1.0	-47.30	305.53	1.60	-45.70
CC1=CC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074629	0	34	-1.0	-48.38	305.32	1.66	-46.72
C=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL250005074630	0	30	-1.0	-52.52	271.29	-0.11	-52.63
CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL250005074631	0	37	-1.0	-47.71	296.74	0.34	-47.37
CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL250005074632	0	37	-1.0	-46.62	302.43	-0.55	-47.17
CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074633	0	35	-1.0	-50.75	290.51	0.85	-49.90
COCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074634	0	39	-1.0	-49.75	323.23	-0.09	-49.84
CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074635	0	32	-1.0	-50.60	270.04	0.08	-50.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC1	REAL250005074636	0	36	-1.0	-50.64	300.09	1.54	-49.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC1	REAL250005074637	0	39	-1.0	-50.56	316.21	2.05	-48.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC1	REAL250005074638	0	39	-1.0	-50.89	321.45	2.37	-48.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)F	REAL250005074639	0	38	-1.0	-46.93	317.17	1.54	-45.39
COCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074640	0	36	-1.0	-52.98	302.29	0.20	-52.78
CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074641	0	38	-1.0	-49.70	311.14	1.59	-48.11
CC(C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074642	0	41	-1.0	-49.51	327.87	2.18	-47.33
CC1CC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074643	0	39	-1.0	-50.41	316.87	2.31	-48.10
CCOCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074644	0	39	-1.0	-53.94	325.09	1.15	-52.79
CC(C)=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074645	0	39	-1.0	-49.51	319.75	2.20	-47.31
CSCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074646	0	36	-1.0	-52.14	312.63	1.26	-50.88
CCCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074647	0	41	-1.0	-49.81	332.64	2.38	-47.43
CC(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074648	0	38	-1.0	-50.28	309.90	1.56	-48.72
CCC(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074649	0	41	-1.0	-50.77	328.11	2.13	-48.64
COC(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074650	0	39	-1.0	-53.89	322.16	0.86	-53.03
C=CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074651	0	39	-1.0	-50.05	323.87	2.17	-47.88
CC=C(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074652	0	39	-1.0	-50.78	317.91	2.07	-48.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC1	REAL250005074653	0	39	-1.0	-46.98	318.68	2.18	-44.80
C[C@@H]1C[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074654	0	39	-1.0	-50.81	321.47	2.21	-48.60
CCC(F)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074655	0	38	-1.0	-49.41	317.38	1.58	-47.83
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCF	REAL250005074656	0	38	-1.0	-53.02	318.56	1.76	-51.26
C[C@H]1C[C@@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074657	0	39	-1.0	-50.26	322.25	2.33	-47.93
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(N)=O	REAL250005074658	0	33	-1.0	-49.35	285.03	-3.84	-53.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C	REAL250005074659	0	41	-1.0	-50.18	328.92	2.09	-48.09
C=CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074660	0	36	-1.0	-50.25	302.56	1.37	-48.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+](C)C	REAL250005074661	0	41	0.0	-65.31	325.23	1.54	-63.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN(C)C	REAL250005074661	1	40	-1.0	-50.60	323.15	-0.84	-51.44
C=CC(O)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074662	0	37	-1.0	-49.90	311.71	-0.53	-50.43
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1COC1	REAL250005074663	0	37	-1.0	-50.47	307.69	-0.60	-51.07
CO[C@H](C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074664	0	39	-1.0	-53.70	322.99	0.92	-52.78
CCC=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074665	0	39	-1.0	-50.43	324.26	2.17	-48.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN=[N+]=[N-]	REAL250005074666	0	34	-1.0	-52.49	298.73	-3.29	-55.78
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CO	REAL250005074667	0	33	-1.0	-55.45	280.97	-2.08	-57.53
CC(O)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074668	0	36	-1.0	-49.94	300.45	-1.34	-51.28
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC1F	REAL250005074669	0	36	-1.0	-54.75	304.82	1.64	-53.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCF	REAL250005074670	0	35	-1.0	-48.99	296.15	0.98	-48.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CCF	REAL250005074671	0	36	-1.0	-53.40	309.34	1.50	-51.90
C#CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074672	0	37	-1.0	-50.02	316.84	2.12	-47.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCO1	REAL250005074673	0	37	-1.0	-54.08	308.53	0.39	-53.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)O	REAL250005074674	0	39	-1.0	-47.98	320.12	-1.78	-49.76
CC1=CC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074675	0	37	-1.0	-50.97	316.01	2.29	-48.68
C[C@@H](O)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074676	0	36	-1.0	-50.35	301.28	-1.29	-51.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CCO	REAL250005074677	0	37	-1.0	-54.27	314.27	-1.97	-56.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CCC1	REAL250005074678	0	37	-1.0	-50.97	310.83	2.17	-48.80
CON=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074679	0	36	-1.0	-53.15	312.06	-0.62	-53.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(F)CC1	REAL250005074680	0	36	-1.0	-48.72	307.08	1.70	-47.02
CC=C(F)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074681	0	36	-1.0	-48.38	308.13	1.48	-46.90
CC(CO)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074682	0	39	-1.0	-50.64	319.60	-1.84	-52.48
C[C@H](O)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074683	0	36	-1.0	-51.73	300.48	-1.32	-53.05
C=C1CC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074684	0	37	-1.0	-50.10	314.44	2.23	-47.87
CC(CF)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074685	0	38	-1.0	-49.56	315.86	1.65	-47.91
C=C(C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074686	0	39	-1.0	-50.62	324.00	1.99	-48.63
CC=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074687	0	36	-1.0	-50.38	303.16	1.41	-48.97
C[C@@H]1C[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074688	0	39	-1.0	-50.81	321.47	2.21	-48.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(O)CC1	REAL250005074689	0	37	-1.0	-49.53	309.27	-1.49	-51.02
C[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074690	0	39	-1.0	-46.44	323.51	2.50	-43.94
C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074691	0	38	-1.0	-48.40	311.91	1.26	-47.14
COCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074692	0	36	-1.0	-48.18	306.01	0.43	-47.75
CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074693	0	38	-1.0	-45.28	314.94	1.78	-43.50
CC(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074694	0	41	-1.0	-46.00	330.73	2.26	-43.74
CC1CC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074695	0	39	-1.0	-46.08	318.04	2.35	-43.73
CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074696	0	39	-1.0	-49.50	327.08	1.27	-48.23
CC(C)=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074697	0	39	-1.0	-45.16	322.21	2.30	-42.86
CSCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074698	0	36	-1.0	-47.21	316.35	1.48	-45.73
CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074699	0	41	-1.0	-46.38	335.42	2.47	-43.91
CC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074700	0	38	-1.0	-46.50	307.74	1.26	-45.24
CCC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074701	0	41	-1.0	-46.29	325.92	1.94	-44.35
COC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074702	0	39	-1.0	-48.18	321.24	0.87	-47.31
C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074703	0	39	-1.0	-45.39	327.65	2.31	-43.08
CC(C#N)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074704	0	36	-1.0	-49.59	311.00	1.13	-48.46
CC=C(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074705	0	39	-1.0	-46.27	326.41	2.12	-44.15
CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074706	0	35	-1.0	-46.53	292.42	0.94	-45.59
COCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074707	0	39	-1.0	-45.65	327.02	0.07	-45.58
CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074708	0	32	-1.0	-45.94	273.14	0.21	-45.73
C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074709	0	36	-1.0	-45.65	303.33	1.72	-43.93
C[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074710	0	39	-1.0	-46.43	318.89	2.18	-44.25
C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074711	0	33	-1.0	-46.97	285.71	-3.73	-50.70
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074712	0	41	-1.0	-51.45	321.55	1.61	-49.84
C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074713	0	39	-1.0	-47.13	321.39	2.03	-45.10
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074714	0	39	-1.0	-45.53	324.80	2.41	-43.12
CCC(F)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074715	0	38	-1.0	-45.57	318.72	1.66	-43.91
C[C@@H]1CN(C(=O)CCCF)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074716	0	38	-1.0	-48.18	320.51	1.82	-46.36
C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074717	0	39	-1.0	-45.41	324.48	2.45	-42.96
C[C@@H]1CN(C(=O)CO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074718	0	33	-1.0	-50.79	282.98	-1.97	-52.76
C[C@@H]1CN(C(=O)C2CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074719	0	37	-1.0	-49.41	309.06	0.55	-48.86
C[C@@H]1CN(C(=O)C2COC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074720	0	37	-1.0	-46.80	309.57	-0.56	-47.36
C[C@@H]1CN(C(=O)C=CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074721	0	37	-1.0	-50.03	316.36	-1.83	-51.86
CCC=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074722	0	39	-1.0	-46.77	326.34	2.29	-44.48
C#CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074723	0	37	-1.0	-45.74	320.63	2.27	-43.47
C=CC(O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074724	0	37	-1.0	-52.16	309.85	-0.69	-52.85
CC(O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074725	0	36	-1.0	-49.33	299.60	-1.36	-50.69
CC(=O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074726	0	34	-1.0	-45.57	292.08	0.09	-45.48
C[C@@H]1CN(C(=O)C2(F)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074727	0	36	-1.0	-44.44	306.46	1.71	-42.73
CC=C(F)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074728	0	36	-1.0	-45.15	308.66	1.48	-43.67
CC(CO)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074729	0	39	-1.0	-47.53	318.34	-2.05	-49.58
C[C@@H]1CN(C(=O)C2(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074730	0	37	-1.0	-46.25	314.76	-1.78	-48.03
C[C@@H]1CN(C(=O)C2=CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074731	0	37	-1.0	-47.95	309.22	2.05	-45.90
CC(CF)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074732	0	38	-1.0	-49.98	318.21	1.56	-48.42
CC=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074733	0	36	-1.0	-45.94	306.18	1.54	-44.40
C[C@@H]1CN(C(=O)C=CCF)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074734	0	36	-1.0	-48.70	311.44	1.65	-47.05
C[C@H](O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074736	0	36	-1.0	-46.35	299.07	-1.29	-47.64
CON=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074737	0	36	-1.0	-47.92	315.07	-0.51	-48.43
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074738	0	39	-1.0	-45.53	324.80	2.41	-43.12
C[C@@H]1CN(C(=O)C(C)(C)O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074739	0	39	-1.0	-46.94	317.98	-1.66	-48.60
C=C(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074740	0	39	-1.0	-46.49	327.11	2.11	-44.38
C=CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074741	0	36	-1.0	-46.91	305.42	1.45	-45.46
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074742	0	41	0.0	-61.08	328.09	1.59	-59.49
C[C@@H]1CN(C(=O)CN(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074742	1	40	-1.0	-45.86	326.79	-0.66	-46.52
C[C@@H]1CN(C(=O)CC#N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074743	0	33	-1.0	-52.95	291.97	0.59	-52.36
C[C@@H]1CN(C(=O)C2CC2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074744	0	36	-1.0	-50.02	306.81	1.74	-48.28
C[C@@H]1CN(C(=O)CCF)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074745	0	35	-1.0	-44.93	299.93	1.12	-43.81
CO[C@H](C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074746	0	39	-1.0	-49.55	321.44	0.81	-48.74
C[C@@H](O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074747	0	36	-1.0	-48.78	299.62	-1.30	-50.08
C=C1CC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074748	0	37	-1.0	-45.81	316.93	2.33	-43.48
CC1=CC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074749	0	37	-1.0	-46.85	318.25	2.46	-44.39
C=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074750	0	33	-1.0	-46.91	283.53	0.65	-46.26
CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005074751	0	41	-1.0	-52.03	325.50	1.98	-50.05
CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005074752	0	41	-1.0	-48.06	328.72	2.31	-45.75
CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074753	0	39	-1.0	-44.87	314.08	-1.09	-45.96
CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL250005074754	0	39	-1.0	-51.08	318.40	-1.12	-52.20
CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005074755	0	39	-1.0	-50.50	317.38	2.56	-47.94
CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005074756	0	39	-1.0	-50.50	317.38	2.56	-47.94
CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005074757	0	39	-1.0	-49.21	313.60	1.32	-47.89
CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005074758	0	39	-1.0	-52.16	316.08	1.43	-50.73
CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005074759	0	41	-1.0	-45.88	317.35	1.41	-44.47
CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005074760	0	38	-1.0	-46.24	296.77	0.60	-45.64
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CO	REAL250005074761	0	39	-1.0	-49.91	307.82	-1.51	-51.42
CCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074762	0	41	-1.0	-51.22	326.53	1.92	-49.30
CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074763	0	38	-1.0	-45.96	299.18	0.84	-45.12
CC1CCN(C(=O)CO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005074764	0	39	-1.0	-56.41	317.01	-0.98	-57.39
C=CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074765	0	39	-1.0	-51.37	311.21	1.38	-49.99
CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005074766	0	39	-1.0	-52.11	311.07	1.65	-50.46
CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005074767	0	36	-1.0	-51.23	291.32	0.98	-50.25
O=C(CO)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005074768	0	37	-1.0	-56.53	301.54	-1.27	-57.80
CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL250005074769	0	39	-1.0	-49.21	313.92	1.76	-47.45
CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL250005074770	0	36	-1.0	-49.34	293.61	0.96	-48.38
O=C(CO)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL250005074771	0	37	-1.0	-54.00	304.39	-1.18	-55.18
C=CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL250005074772	0	37	-1.0	-49.40	304.62	1.45	-47.95
CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074773	0	39	-1.0	-46.69	306.24	2.60	-44.09
CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074774	0	39	-1.0	-51.45	308.80	2.76	-48.69
CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005074775	0	39	-1.0	-46.20	315.08	-0.33	-46.53
CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005074776	0	36	-1.0	-46.44	294.79	-1.15	-47.59
CC(NC(=O)CO)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005074777	0	37	-1.0	-50.46	307.14	-2.66	-53.12
CCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074778	0	39	-1.0	-49.25	318.25	-0.05	-49.30
CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074779	0	36	-1.0	-50.59	299.23	-0.37	-50.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CO)CCO1	REAL250005074780	0	37	-1.0	-54.07	308.74	-2.96	-57.03
C=CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074781	0	37	-1.0	-47.63	309.04	-0.37	-48.00
CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005074782	0	39	-1.0	-48.95	318.49	1.64	-47.31
CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005074783	0	36	-1.0	-49.22	298.47	0.84	-48.38
O=C(CO)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL250005074784	0	37	-1.0	-53.46	308.96	-1.28	-54.74
CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005074785	0	39	-1.0	-47.97	321.65	1.71	-46.26
CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005074786	0	36	-1.0	-48.60	300.44	0.94	-47.66
O=C(CO)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005074787	0	37	-1.0	-54.15	313.45	-1.03	-55.18
C=CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL250005074788	0	37	-1.0	-49.43	312.77	1.44	-47.99
CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005074789	0	39	-1.0	-48.92	320.53	1.75	-47.17
CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005074790	0	36	-1.0	-58.55	298.97	1.53	-57.02
O=C(CO)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005074791	0	37	-1.0	-57.06	310.22	-0.98	-58.04
CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL250005074792	0	39	-1.0	-50.13	322.52	1.87	-48.26
CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL250005074793	0	36	-1.0	-50.32	300.96	1.00	-49.32
O=C(CO)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL250005074794	0	37	-1.0	-51.33	311.39	-0.84	-52.17
C=CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL250005074795	0	37	-1.0	-50.36	314.12	1.57	-48.79
CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074796	0	35	-1.0	-50.75	290.51	0.85	-49.90
COCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074797	0	39	-1.0	-49.75	323.23	-0.09	-49.84
CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074798	0	32	-1.0	-50.60	270.04	0.08	-50.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC1	REAL250005074799	0	36	-1.0	-50.64	300.09	1.54	-49.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC1	REAL250005074800	0	39	-1.0	-50.56	316.21	2.05	-48.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC1	REAL250005074801	0	39	-1.0	-50.89	321.45	2.37	-48.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)F	REAL250005074802	0	38	-1.0	-46.93	317.17	1.54	-45.39
COCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074803	0	36	-1.0	-52.98	302.29	0.20	-52.78
CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074804	0	38	-1.0	-49.70	311.14	1.59	-48.11
CC(C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074805	0	41	-1.0	-49.51	327.87	2.18	-47.33
CC1CC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074806	0	39	-1.0	-50.41	316.87	2.31	-48.10
CCOCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074807	0	39	-1.0	-53.94	325.09	1.15	-52.79
CC(C)=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074808	0	39	-1.0	-49.51	319.75	2.20	-47.31
CSCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074809	0	36	-1.0	-52.14	312.63	1.26	-50.88
CCCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074810	0	41	-1.0	-49.81	332.64	2.38	-47.43
CC(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074811	0	38	-1.0	-50.28	309.90	1.56	-48.72
CCC(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074812	0	41	-1.0	-50.77	328.11	2.13	-48.64
COC(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074813	0	39	-1.0	-53.89	322.16	0.86	-53.03
C=CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074814	0	39	-1.0	-50.05	323.87	2.17	-47.88
CC=C(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074815	0	39	-1.0	-50.78	317.91	2.07	-48.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC1	REAL250005074816	0	39	-1.0	-46.98	318.68	2.18	-44.80
C[C@@H]1C[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074817	0	39	-1.0	-50.81	321.47	2.21	-48.60
CCC(F)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074818	0	38	-1.0	-49.41	317.38	1.58	-47.83
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCF	REAL250005074819	0	38	-1.0	-53.02	318.56	1.76	-51.26
C[C@H]1C[C@@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074820	0	39	-1.0	-50.26	322.25	2.33	-47.93
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(N)=O	REAL250005074821	0	33	-1.0	-49.35	285.03	-3.84	-53.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C	REAL250005074822	0	41	-1.0	-50.18	328.92	2.09	-48.09
C=CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074823	0	36	-1.0	-50.25	302.56	1.37	-48.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+](C)C	REAL250005074824	0	41	0.0	-65.31	325.23	1.54	-63.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN(C)C	REAL250005074824	1	40	-1.0	-50.60	323.15	-0.84	-51.44
C=CC(O)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074825	0	37	-1.0	-49.90	311.71	-0.53	-50.43
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1COC1	REAL250005074826	0	37	-1.0	-50.47	307.69	-0.60	-51.07
CO[C@H](C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074827	0	39	-1.0	-53.70	322.99	0.92	-52.78
CCC=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074828	0	39	-1.0	-50.43	324.26	2.17	-48.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN=[N+]=[N-]	REAL250005074829	0	34	-1.0	-52.49	298.73	-3.29	-55.78
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CO	REAL250005074830	0	33	-1.0	-55.45	280.97	-2.08	-57.53
CC(O)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074831	0	36	-1.0	-49.94	300.45	-1.34	-51.28
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC1F	REAL250005074832	0	36	-1.0	-54.75	304.82	1.64	-53.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCF	REAL250005074833	0	35	-1.0	-48.99	296.15	0.98	-48.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CCF	REAL250005074834	0	36	-1.0	-53.40	309.34	1.50	-51.90
C#CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074835	0	37	-1.0	-50.02	316.84	2.12	-47.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCO1	REAL250005074836	0	37	-1.0	-54.08	308.53	0.39	-53.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)O	REAL250005074837	0	39	-1.0	-47.98	320.12	-1.78	-49.76
CC1=CC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074838	0	37	-1.0	-50.97	316.01	2.29	-48.68
C[C@@H](O)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074839	0	36	-1.0	-50.35	301.28	-1.29	-51.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CCO	REAL250005074840	0	37	-1.0	-54.27	314.27	-1.97	-56.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CCC1	REAL250005074841	0	37	-1.0	-50.97	310.83	2.17	-48.80
CON=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074842	0	36	-1.0	-53.15	312.06	-0.62	-53.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(F)CC1	REAL250005074843	0	36	-1.0	-48.72	307.08	1.70	-47.02
CC=C(F)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074844	0	36	-1.0	-48.38	308.13	1.48	-46.90
CC(CO)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074845	0	39	-1.0	-50.64	319.60	-1.84	-52.48
C[C@H](O)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074846	0	36	-1.0	-51.73	300.48	-1.32	-53.05
C=C1CC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074847	0	37	-1.0	-50.10	314.44	2.23	-47.87
CC(CF)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074848	0	38	-1.0	-49.56	315.86	1.65	-47.91
C=C(C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074849	0	39	-1.0	-50.62	324.00	1.99	-48.63
CC=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074850	0	36	-1.0	-50.38	303.16	1.41	-48.97
C[C@@H]1C[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL250005074851	0	39	-1.0	-50.81	321.47	2.21	-48.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(O)CC1	REAL250005074852	0	37	-1.0	-49.53	309.27	-1.49	-51.02
C[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074853	0	39	-1.0	-46.44	323.51	2.50	-43.94
C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074854	0	38	-1.0	-48.40	311.91	1.26	-47.14
COCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074855	0	36	-1.0	-48.18	306.01	0.43	-47.75
CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074856	0	38	-1.0	-45.28	314.94	1.78	-43.50
CC(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074857	0	41	-1.0	-46.00	330.73	2.26	-43.74
CC1CC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074858	0	39	-1.0	-46.08	318.04	2.35	-43.73
CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074859	0	39	-1.0	-49.50	327.08	1.27	-48.23
CC(C)=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074860	0	39	-1.0	-45.16	322.21	2.30	-42.86
CSCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074861	0	36	-1.0	-47.21	316.35	1.48	-45.73
CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074862	0	41	-1.0	-46.38	335.42	2.47	-43.91
CC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074863	0	38	-1.0	-46.50	307.74	1.26	-45.24
CCC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074864	0	41	-1.0	-46.29	325.92	1.94	-44.35
COC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074865	0	39	-1.0	-48.18	321.24	0.87	-47.31
C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074866	0	39	-1.0	-45.39	327.65	2.31	-43.08
CC(C#N)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074867	0	36	-1.0	-49.59	311.00	1.13	-48.46
CC=C(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074868	0	39	-1.0	-46.27	326.41	2.12	-44.15
CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074869	0	35	-1.0	-46.53	292.42	0.94	-45.59
COCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074870	0	39	-1.0	-45.65	327.02	0.07	-45.58
CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074871	0	32	-1.0	-45.94	273.14	0.21	-45.73
C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074872	0	36	-1.0	-45.65	303.33	1.72	-43.93
C[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074873	0	39	-1.0	-46.43	318.89	2.18	-44.25
C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074874	0	33	-1.0	-46.97	285.71	-3.73	-50.70
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074875	0	41	-1.0	-51.45	321.55	1.61	-49.84
C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074876	0	39	-1.0	-47.13	321.39	2.03	-45.10
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074877	0	39	-1.0	-45.53	324.80	2.41	-43.12
CCC(F)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074878	0	38	-1.0	-45.57	318.72	1.66	-43.91
C[C@@H]1CN(C(=O)CCCF)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074879	0	38	-1.0	-48.18	320.51	1.82	-46.36
C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074880	0	39	-1.0	-45.41	324.48	2.45	-42.96
C[C@@H]1CN(C(=O)CO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074881	0	33	-1.0	-50.79	282.98	-1.97	-52.76
C[C@@H]1CN(C(=O)C2CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074882	0	37	-1.0	-49.41	309.06	0.55	-48.86
C[C@@H]1CN(C(=O)C2COC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074883	0	37	-1.0	-46.80	309.57	-0.56	-47.36
C[C@@H]1CN(C(=O)C=CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074884	0	37	-1.0	-50.03	316.36	-1.83	-51.86
CCC=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074885	0	39	-1.0	-46.77	326.34	2.29	-44.48
C#CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074886	0	37	-1.0	-45.74	320.63	2.27	-43.47
C=CC(O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074887	0	37	-1.0	-52.16	309.85	-0.69	-52.85
CC(O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074888	0	36	-1.0	-49.33	299.60	-1.36	-50.69
CC(=O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074889	0	34	-1.0	-45.57	292.08	0.09	-45.48
C[C@@H]1CN(C(=O)C2(F)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074890	0	36	-1.0	-44.44	306.46	1.71	-42.73
CC=C(F)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074891	0	36	-1.0	-45.15	308.66	1.48	-43.67
CC(CO)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074892	0	39	-1.0	-47.53	318.34	-2.05	-49.58
C[C@@H]1CN(C(=O)C2(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074893	0	37	-1.0	-46.25	314.76	-1.78	-48.03
C[C@@H]1CN(C(=O)C2=CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074894	0	37	-1.0	-47.95	309.22	2.05	-45.90
CC(CF)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074895	0	38	-1.0	-49.98	318.21	1.56	-48.42
CC=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074896	0	36	-1.0	-45.94	306.18	1.54	-44.40
C[C@@H]1CN(C(=O)C=CCF)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074897	0	36	-1.0	-48.70	311.44	1.65	-47.05
C[C@H](O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074899	0	36	-1.0	-46.35	299.07	-1.29	-47.64
CON=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074900	0	36	-1.0	-47.92	315.07	-0.51	-48.43
C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074901	0	39	-1.0	-45.53	324.80	2.41	-43.12
C[C@@H]1CN(C(=O)C(C)(C)O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074902	0	39	-1.0	-46.94	317.98	-1.66	-48.60
C=C(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074903	0	39	-1.0	-46.49	327.11	2.11	-44.38
C=CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074904	0	36	-1.0	-46.91	305.42	1.45	-45.46
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074905	0	41	0.0	-61.08	328.09	1.59	-59.49
C[C@@H]1CN(C(=O)CN(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074905	1	40	-1.0	-45.86	326.79	-0.66	-46.52
C[C@@H]1CN(C(=O)CC#N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074906	0	33	-1.0	-52.95	291.97	0.59	-52.36
C[C@@H]1CN(C(=O)C2CC2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074907	0	36	-1.0	-50.02	306.81	1.74	-48.28
C[C@@H]1CN(C(=O)CCF)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074908	0	35	-1.0	-44.93	299.93	1.12	-43.81
CO[C@H](C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074909	0	39	-1.0	-49.55	321.44	0.81	-48.74
C[C@@H](O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074910	0	36	-1.0	-48.78	299.62	-1.30	-50.08
C=C1CC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074911	0	37	-1.0	-45.81	316.93	2.33	-43.48
CC1=CC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074912	0	37	-1.0	-46.85	318.25	2.46	-44.39
C=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074913	0	33	-1.0	-46.91	283.53	0.65	-46.26
CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005074914	0	39	-1.0	-55.88	303.77	2.59	-53.29
CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL250005074915	0	39	-1.0	-55.88	303.77	2.59	-53.29
CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL250005074916	0	39	-1.0	-52.92	314.26	2.03	-50.89
CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL250005074917	0	36	-1.0	-53.20	293.95	1.22	-51.98
O=C(CO)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL250005074918	0	37	-1.0	-58.02	304.72	-0.89	-58.91
CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL250005074919	0	39	-1.0	-48.05	317.01	2.17	-45.88
CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL250005074920	0	36	-1.0	-46.92	295.17	1.31	-45.61
O=C(CO)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL250005074921	0	37	-1.0	-52.91	307.48	-0.72	-53.63
C=CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL250005074922	0	37	-1.0	-46.99	308.01	1.88	-45.11
CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074923	0	35	-1.0	-50.42	290.48	0.86	-49.56
COCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074924	0	39	-1.0	-50.53	323.22	-0.17	-50.70
CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074925	0	32	-1.0	-50.00	269.30	0.03	-49.97
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC1	REAL250005074926	0	36	-1.0	-50.42	300.87	1.66	-48.76
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC1	REAL250005074927	0	39	-1.0	-50.43	317.21	2.14	-48.29
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1CC1	REAL250005074928	0	39	-1.0	-50.19	320.51	2.38	-47.81
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)F	REAL250005074929	0	38	-1.0	-47.43	316.01	1.44	-45.99
COCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074930	0	36	-1.0	-54.19	303.16	0.18	-54.01
CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074931	0	38	-1.0	-49.77	311.12	1.58	-48.19
CC(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074932	0	41	-1.0	-50.52	328.70	2.17	-48.35
CC1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074933	0	39	-1.0	-49.72	316.04	2.29	-47.43
CCOCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074934	0	39	-1.0	-53.64	325.05	1.17	-52.47
CC(C)=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074935	0	39	-1.0	-49.31	319.09	2.14	-47.17
CSCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074936	0	36	-1.0	-53.41	313.50	1.25	-52.16
CCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074937	0	41	-1.0	-50.38	333.34	2.44	-47.94
CC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074938	0	38	-1.0	-50.90	309.10	1.45	-49.45
CCC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074939	0	41	-1.0	-50.58	327.22	2.09	-48.49
COC(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074940	0	39	-1.0	-53.49	321.27	0.93	-52.56
C=CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074941	0	39	-1.0	-49.43	323.88	2.14	-47.29
CC=C(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074942	0	39	-1.0	-50.31	317.98	2.12	-48.19
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(C)CC1	REAL250005074943	0	39	-1.0	-46.94	317.87	2.24	-44.70
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074944	0	39	-1.0	-50.02	321.46	2.28	-47.74
CCC(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074945	0	38	-1.0	-52.49	318.28	1.64	-50.85
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCCF	REAL250005074946	0	38	-1.0	-52.94	318.44	1.80	-51.14
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074947	0	39	-1.0	-50.76	322.36	2.27	-48.49
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(N)=O	REAL250005074948	0	33	-1.0	-48.62	285.79	-3.84	-52.46
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)C	REAL250005074949	0	41	-1.0	-50.19	328.78	2.11	-48.08
C=CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074950	0	36	-1.0	-50.90	303.37	1.38	-49.52
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+](C)C	REAL250005074951	0	41	0.0	-70.11	326.06	1.53	-68.58
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN(C)C	REAL250005074951	1	40	-1.0	-50.61	323.07	-0.85	-51.46
C=CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074952	0	37	-1.0	-51.33	311.82	-0.56	-51.89
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1COC1	REAL250005074953	0	37	-1.0	-51.74	306.92	-0.72	-52.46
CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074954	0	39	-1.0	-53.85	322.96	0.88	-52.97
CCC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074955	0	39	-1.0	-50.66	325.09	2.20	-48.46
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN=[N+]=[N-]	REAL250005074956	0	34	-1.0	-53.32	298.66	-3.28	-56.60
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CO	REAL250005074957	0	33	-1.0	-55.75	280.91	-2.09	-57.84
CC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074958	0	36	-1.0	-54.31	300.71	-1.33	-55.64
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC1F	REAL250005074959	0	36	-1.0	-48.07	306.96	1.68	-46.39
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCF	REAL250005074960	0	35	-1.0	-49.79	296.14	0.90	-48.89
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=CCF	REAL250005074961	0	36	-1.0	-50.87	309.38	1.56	-49.31
C#CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074962	0	37	-1.0	-50.05	316.85	2.10	-47.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCO1	REAL250005074963	0	37	-1.0	-55.03	308.92	0.48	-54.55
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)O	REAL250005074964	0	39	-1.0	-49.40	320.96	-1.77	-51.17
CC1=CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074965	0	37	-1.0	-51.06	315.06	2.26	-48.80
C[C@@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074966	0	36	-1.0	-51.91	301.28	-1.29	-53.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=CCO	REAL250005074967	0	37	-1.0	-53.50	314.22	-1.97	-55.47
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CCC1	REAL250005074968	0	37	-1.0	-51.86	310.55	2.12	-49.74
CON=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074969	0	36	-1.0	-52.68	312.08	-0.59	-53.27
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(F)CC1	REAL250005074970	0	36	-1.0	-47.27	307.16	1.65	-45.62
CC=C(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074971	0	36	-1.0	-48.11	308.16	1.51	-46.60
CC(CO)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074972	0	39	-1.0	-50.66	320.57	-1.80	-52.46
C[C@H](O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074973	0	36	-1.0	-49.56	300.37	-1.32	-50.88
C=C1CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074974	0	37	-1.0	-50.66	314.55	2.17	-48.49
CC(CF)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074975	0	38	-1.0	-49.09	315.13	1.60	-47.49
C=C(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074976	0	39	-1.0	-51.03	324.72	2.02	-49.01
CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074977	0	36	-1.0	-50.01	303.19	1.45	-48.56
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL250005074978	0	39	-1.0	-50.02	321.46	2.28	-47.74
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(O)CC1	REAL250005074979	0	37	-1.0	-49.53	309.28	-1.48	-51.01
C[C@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074980	0	39	-1.0	-46.60	323.47	2.47	-44.13
C[C@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074981	0	38	-1.0	-46.17	312.23	1.35	-44.82
COCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074982	0	36	-1.0	-48.26	306.01	0.40	-47.86
CCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074983	0	38	-1.0	-46.42	313.97	1.66	-44.76
CC(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074984	0	41	-1.0	-45.96	330.70	2.26	-43.70
CC1CC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074985	0	39	-1.0	-45.48	324.61	2.39	-43.09
CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074986	0	39	-1.0	-48.20	327.87	1.36	-46.84
CC(C)=CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074987	0	39	-1.0	-46.28	320.86	2.19	-44.09
CSCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074988	0	36	-1.0	-47.25	316.35	1.45	-45.80
CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074989	0	41	-1.0	-45.27	336.29	2.56	-42.71
CC(C)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074990	0	38	-1.0	-45.07	312.89	1.51	-43.56
CCC(C)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074991	0	41	-1.0	-45.07	331.56	2.15	-42.92
COC(C)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074992	0	39	-1.0	-55.56	320.97	0.83	-54.73
C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074993	0	39	-1.0	-45.05	327.71	2.32	-42.73
CC(C#N)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074994	0	36	-1.0	-51.63	307.12	0.87	-50.76
CC=C(C)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074995	0	39	-1.0	-53.06	313.63	1.75	-51.31
CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074996	0	35	-1.0	-46.50	292.48	0.91	-45.59
COCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074997	0	39	-1.0	-45.60	327.07	0.07	-45.53
CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074998	0	32	-1.0	-46.77	272.27	0.16	-46.61
C[C@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074999	0	36	-1.0	-46.63	303.03	1.68	-44.95
C[C@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075000	0	39	-1.0	-45.30	320.10	2.27	-43.03
C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075001	0	33	-1.0	-48.07	284.97	-3.76	-51.83
C[C@H]1CN(C(=O)C(C)(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075002	0	41	-1.0	-46.03	321.54	1.60	-44.43
C[C@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075003	0	39	-1.0	-45.31	321.40	2.13	-43.18
C[C@@H]1C[C@H]1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075004	0	39	-1.0	-46.58	324.33	2.34	-44.24
CCC(F)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075005	0	38	-1.0	-46.98	319.66	1.71	-45.27
C[C@H]1CN(C(=O)CCCF)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075006	0	38	-1.0	-48.13	320.65	1.88	-46.25
C[C@H]1C[C@@H]1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075007	0	39	-1.0	-46.81	323.46	2.30	-44.51
C[C@H]1CN(C(=O)CO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075008	0	33	-1.0	-49.70	283.76	-1.88	-51.58
C[C@H]1CN(C(=O)C2CCO2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075009	0	37	-1.0	-50.02	307.74	0.42	-49.60
C[C@H]1CN(C(=O)C2COC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075010	0	37	-1.0	-45.83	310.71	-0.51	-46.34
C[C@H]1CN(C(=O)C=CCO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075011	0	37	-1.0	-48.20	317.31	-1.82	-50.02
CCC=CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075012	0	39	-1.0	-45.60	327.30	2.30	-43.30
C#CCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075013	0	37	-1.0	-45.74	320.68	2.27	-43.47
C=CC(O)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075014	0	37	-1.0	-46.43	309.35	-0.62	-47.05
CC(O)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075015	0	36	-1.0	-48.35	298.76	-1.44	-49.79
CC(=O)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075016	0	34	-1.0	-46.72	291.39	0.03	-46.69
C[C@H]1CN(C(=O)C2(F)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075017	0	36	-1.0	-44.32	307.07	1.69	-42.63
CC=C(F)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075018	0	36	-1.0	-46.03	308.01	1.48	-44.55
CC(CO)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075019	0	39	-1.0	-51.04	323.88	-1.85	-52.89
C[C@H]1CN(C(=O)C2(O)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075020	0	37	-1.0	-46.38	314.52	-1.77	-48.15
C[C@H]1CN(C(=O)C2=CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075021	0	37	-1.0	-47.81	308.43	1.98	-45.83
CC(CF)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075022	0	38	-1.0	-49.96	319.27	1.59	-48.37
CC=CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075023	0	36	-1.0	-46.95	305.18	1.50	-45.45
C[C@H]1CN(C(=O)C=CCF)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075024	0	36	-1.0	-47.51	311.31	1.59	-45.92
C[C@H](O)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075026	0	36	-1.0	-48.79	299.92	-1.35	-50.14
CON=CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075027	0	36	-1.0	-49.50	314.08	-0.57	-50.07
C[C@@H]1C[C@H]1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075028	0	39	-1.0	-46.58	324.33	2.34	-44.24
C[C@H]1CN(C(=O)C(C)(C)O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075029	0	39	-1.0	-45.74	318.01	-1.47	-47.21
C=C(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075030	0	39	-1.0	-46.77	327.00	2.10	-44.67
C=CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075031	0	36	-1.0	-46.47	305.39	1.45	-45.02
C[C@H]1CN(C(=O)C[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075032	0	41	0.0	-61.10	328.06	1.60	-59.50
C[C@H]1CN(C(=O)CN(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075032	1	40	-1.0	-46.95	325.98	-0.80	-47.75
C[C@H]1CN(C(=O)CC#N)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075033	0	33	-1.0	-53.12	291.98	0.67	-52.45
C[C@H]1CN(C(=O)C2CC2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075034	0	36	-1.0	-44.41	310.00	1.86	-42.55
C[C@H]1CN(C(=O)CCF)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075035	0	35	-1.0	-44.92	299.99	1.13	-43.79
CO[C@H](C)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075036	0	39	-1.0	-49.19	320.53	0.78	-48.41
C[C@@H](O)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075037	0	36	-1.0	-46.42	299.34	-1.34	-47.76
C=C1CC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075038	0	37	-1.0	-45.83	316.79	2.31	-43.52
CC1=CC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075039	0	37	-1.0	-46.96	318.66	2.47	-44.49
C=CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075040	0	33	-1.0	-46.02	284.49	0.66	-45.36
CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075041	0	36	-1.0	-60.24	291.32	2.10	-58.14
CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075042	0	33	-1.0	-60.30	270.96	1.31	-58.99
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21	REAL250005075043	0	37	-1.0	-61.20	301.61	2.79	-58.41
COCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075044	0	37	-1.0	-64.41	303.84	1.46	-62.95
CCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075045	0	39	-1.0	-60.26	313.08	2.84	-57.42
CC(C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075046	0	39	-1.0	-60.12	310.16	2.60	-57.52
NC(=O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075047	0	34	-1.0	-53.92	284.60	-2.67	-56.59
C=CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075048	0	37	-1.0	-59.93	304.03	2.61	-57.32
O=C(CO)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075049	0	34	-1.0	-65.72	281.94	-0.85	-66.57
CC(O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075050	0	37	-1.0	-61.65	298.35	-0.27	-61.92
O=C(CCF)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075051	0	36	-1.0	-58.18	298.14	2.19	-55.99
C[C@@H](O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075052	0	37	-1.0	-61.73	298.23	-0.27	-62.00
C[C@H](O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075053	0	37	-1.0	-60.11	298.06	-0.26	-60.37
CC=CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL250005075054	0	37	-1.0	-55.16	304.46	2.61	-52.55
COCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075055	0	37	-1.0	-68.00	303.56	1.37	-66.63
CCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075056	0	39	-1.0	-63.36	312.25	2.77	-60.59
CC(C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075057	0	39	-1.0	-63.27	311.60	2.56	-60.71
CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075058	0	36	-1.0	-62.65	289.89	2.02	-60.63
CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075059	0	33	-1.0	-62.56	268.57	1.08	-61.48
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC3)[C@H]2C1	REAL250005075060	0	37	-1.0	-63.29	300.40	2.77	-60.52
NC(=O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075061	0	34	-1.0	-57.20	284.02	-2.72	-59.92
O=C(CO)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075062	0	34	-1.0	-69.38	281.28	-0.92	-70.30
CC(O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075063	0	37	-1.0	-62.50	296.17	-0.34	-62.84
CC(=O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075064	0	35	-1.0	-57.36	290.08	1.04	-56.32
CC=CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075065	0	37	-1.0	-64.06	303.39	2.60	-61.46
C[C@H](O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075066	0	37	-1.0	-64.04	298.35	-0.32	-64.36
C=CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075067	0	37	-1.0	-63.21	302.80	2.55	-60.66
N#CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075068	0	34	-1.0	-73.61	290.27	1.69	-71.92
O=C(CCF)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075069	0	36	-1.0	-59.91	297.05	2.23	-57.68
C[C@@H](O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075070	0	37	-1.0	-63.15	297.35	-0.30	-63.45
C=CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005075071	0	34	-1.0	-63.55	282.53	1.75	-61.80
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL250005075072	0	39	-1.0	-46.75	307.21	1.42	-45.33
CC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075073	0	39	-1.0	-54.58	309.04	1.68	-52.90
CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075074	0	39	-1.0	-47.51	312.13	1.82	-45.69
CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL250005075075	0	39	-1.0	-47.52	313.80	1.90	-45.62
CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1CO	REAL250005075076	0	39	-1.0	-44.39	296.87	-0.82	-45.21
CC(=O)N1CCC(CO)C(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075077	0	39	-1.0	-54.40	299.89	-0.68	-55.08
CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075078	0	33	-1.0	-48.00	286.57	-3.72	-51.72
COCCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075079	0	37	-1.0	-48.69	320.58	-4.62	-53.31
CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075080	0	30	-1.0	-48.77	266.59	-4.51	-53.28
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005075081	0	34	-1.0	-47.58	297.64	-2.91	-50.49
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005075082	0	37	-1.0	-48.28	313.67	-2.40	-50.68
O=C(CC1CC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075083	0	37	-1.0	-47.93	317.50	-2.15	-50.08
COCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075084	0	34	-1.0	-50.43	299.29	-4.43	-54.86
CCCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075085	0	36	-1.0	-48.26	308.41	-2.92	-51.18
CC(C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075086	0	39	-1.0	-47.46	324.79	-2.36	-49.82
CC1CC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075087	0	37	-1.0	-48.72	318.87	-2.23	-50.95
CCOCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075088	0	37	-1.0	-50.95	321.49	-3.42	-54.37
CC(C)=CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075089	0	37	-1.0	-48.59	316.34	-2.37	-50.96
CCCCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075090	0	39	-1.0	-47.77	329.56	-2.16	-49.93
CC(C)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075091	0	36	-1.0	-48.30	306.25	-3.01	-51.31
CCC(C)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075092	0	39	-1.0	-48.18	324.34	-2.37	-50.55
COC(C)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075093	0	37	-1.0	-50.92	318.38	-3.62	-54.54
C=CCCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075094	0	37	-1.0	-48.11	321.22	-2.36	-50.47
CC=C(C)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075095	0	37	-1.0	-49.17	315.16	-2.41	-51.58
C[C@@H]1C[C@H]1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075096	0	37	-1.0	-48.71	318.86	-2.25	-50.96
C[C@H]1C[C@@H]1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075097	0	37	-1.0	-48.05	318.45	-2.27	-50.32
NC(=O)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075098	0	31	-1.0	-51.20	282.24	-8.36	-59.56
C=CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075099	0	34	-1.0	-48.12	299.48	-3.17	-51.29
C[NH+](C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075100	0	39	0.0	-66.38	322.15	-3.00	-69.38
CN(C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075100	1	38	-1.0	-48.46	320.07	-5.39	-53.85
C=CC(O)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075101	0	35	-1.0	-48.45	310.83	-5.35	-53.80
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005075102	0	35	-1.0	-48.84	304.17	-5.17	-54.01
CO[C@H](C)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075103	0	37	-1.0	-50.31	318.74	-3.73	-54.04
CCC=CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075104	0	37	-1.0	-48.76	321.54	-2.31	-51.07
O=C(CO)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075106	0	31	-1.0	-52.28	277.38	-6.66	-58.94
CC(O)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075107	0	34	-1.0	-49.00	297.71	-5.93	-54.93
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005075108	0	34	-1.0	-47.99	303.88	-2.84	-50.83
O=C(CCF)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075109	0	33	-1.0	-47.96	293.50	-3.55	-51.51
O=C(C=CCF)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075110	0	34	-1.0	-49.73	306.63	-2.95	-52.68
C#CCCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075111	0	35	-1.0	-48.90	314.19	-2.41	-51.31
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005075112	0	35	-1.0	-51.17	304.82	-4.01	-55.18
CC1=CC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075113	0	35	-1.0	-49.04	312.08	-2.24	-51.28
C[C@@H](O)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075114	0	34	-1.0	-51.84	298.39	-5.89	-57.73
O=C(C=CCO)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075115	0	35	-1.0	-51.27	311.55	-6.43	-57.70
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005075116	0	35	-1.0	-49.81	307.87	-2.33	-52.14
CON=CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075117	0	34	-1.0	-51.00	309.34	-5.12	-56.12
CC=C(F)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075118	0	34	-1.0	-48.82	305.43	-3.00	-51.82
CC(CO)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075119	0	37	-1.0	-48.40	316.50	-6.35	-54.75
C[C@H](O)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075120	0	34	-1.0	-51.35	298.09	-5.95	-57.30
C=C1CC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075121	0	35	-1.0	-48.44	310.66	-2.37	-50.81
C=C(C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075122	0	37	-1.0	-48.47	321.17	-2.50	-50.97
CC=CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075123	0	34	-1.0	-49.03	300.45	-3.07	-52.10
C[C@@H]1C[C@H]1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075124	0	37	-1.0	-48.71	318.86	-2.25	-50.96
O=C(CC1CC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075125	0	37	-1.0	-54.03	319.54	-2.04	-56.07
COCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075126	0	34	-1.0	-58.23	301.47	-4.17	-62.40
CCCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075127	0	36	-1.0	-53.74	310.16	-2.83	-56.57
CC(C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075128	0	39	-1.0	-53.22	326.87	-2.24	-55.46
CC1CC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075129	0	37	-1.0	-52.27	315.57	-2.09	-54.36
CCOCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075130	0	37	-1.0	-58.25	323.33	-3.21	-61.46
CC(C)=CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075131	0	37	-1.0	-51.79	318.23	-2.41	-54.20
CCCCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075132	0	39	-1.0	-53.80	331.65	-2.05	-55.85
CC(C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075133	0	36	-1.0	-55.32	306.15	-3.13	-58.45
CCC(C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075134	0	39	-1.0	-49.41	327.22	-2.41	-51.82
COC(C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075135	0	37	-1.0	-58.85	319.23	-3.61	-62.46
C=CCCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075136	0	37	-1.0	-53.33	322.97	-2.27	-55.60
CC(C#N)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075137	0	34	-1.0	-62.55	305.53	-3.50	-66.05
CC=C(C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075138	0	37	-1.0	-51.15	312.67	-2.67	-53.82
CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075139	0	33	-1.0	-53.94	288.66	-3.60	-57.54
COCCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075140	0	37	-1.0	-53.12	322.33	-4.53	-57.65
CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075141	0	30	-1.0	-53.93	267.50	-4.43	-58.36
O=C(NC1(CO)CN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005075142	0	34	-1.0	-54.22	298.92	-2.75	-56.97
O=C(NC1(CO)CN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005075143	0	37	-1.0	-53.78	315.29	-2.31	-56.09
NC(=O)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075144	0	31	-1.0	-51.63	282.08	-8.33	-59.96
CC(C)(C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075145	0	39	-1.0	-52.80	320.37	-2.82	-55.62
CC1(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005075146	0	37	-1.0	-49.97	318.79	-2.44	-52.41
C[C@@H]1C[C@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075147	0	37	-1.0	-54.80	320.65	-2.13	-56.93
C[C@H]1C[C@@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075148	0	37	-1.0	-54.39	320.25	-2.04	-56.43
O=C(CO)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075149	0	31	-1.0	-59.32	279.14	-6.49	-65.81
O=C(NC1(CO)CN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005075150	0	35	-1.0	-58.11	306.81	-3.96	-62.07
O=C(NC1(CO)CN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005075151	0	35	-1.0	-55.01	306.03	-5.02	-60.03
O=C(C=CCO)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075152	0	35	-1.0	-58.78	313.43	-6.34	-65.12
CCC=CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075153	0	37	-1.0	-55.35	323.42	-2.22	-57.57
C#CCCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075154	0	35	-1.0	-53.55	315.94	-2.32	-55.87
C=CC(O)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075155	0	35	-1.0	-56.49	308.55	-5.03	-61.52
CC(O)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075156	0	34	-1.0	-60.56	297.81	-5.84	-66.40
CC(=O)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075157	0	32	-1.0	-51.19	288.52	-4.53	-55.72
O=C(NC1(CO)CN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005075158	0	34	-1.0	-52.84	303.27	-2.87	-55.71
CC=C(F)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075159	0	34	-1.0	-52.00	305.17	-3.04	-55.04
CC(CO)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075160	0	37	-1.0	-52.21	320.39	-6.29	-58.50
O=C(NC1(CO)CN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005075161	0	35	-1.0	-51.67	310.89	-6.22	-57.89
O=C(NC1(CO)CN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005075162	0	35	-1.0	-54.19	306.61	-2.46	-56.65
CC=CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075163	0	34	-1.0	-55.68	302.33	-2.98	-58.66
O=C(C=CCF)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075164	0	34	-1.0	-56.99	308.51	-2.87	-59.86
C[C@H](O)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075166	0	34	-1.0	-53.53	294.82	-5.88	-59.41
CON=CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075167	0	34	-1.0	-57.79	311.23	-5.02	-62.81
C[C@@H]1C[C@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075168	0	37	-1.0	-54.80	320.65	-2.13	-56.93
CC(C)(O)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075169	0	37	-1.0	-51.92	315.82	-5.98	-57.90
C=C(C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075170	0	37	-1.0	-54.10	323.19	-2.42	-56.52
C=CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075171	0	34	-1.0	-54.01	301.58	-3.07	-57.08
C[NH+](C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075172	0	39	0.0	-72.08	324.23	-2.89	-74.97
CN(C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075172	1	38	-1.0	-54.08	322.15	-5.29	-59.37
N#CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075173	0	31	-1.0	-63.51	288.21	-3.88	-67.39
O=C(NC1(CO)CN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005075174	0	34	-1.0	-51.76	305.96	-2.74	-54.50
O=C(CCF)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075175	0	33	-1.0	-52.44	295.25	-3.45	-55.89
CO[C@H](C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075176	0	37	-1.0	-56.82	318.62	-3.65	-60.47
C[C@@H](O)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075177	0	34	-1.0	-58.49	297.25	-5.88	-64.37
C=C1CC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075178	0	35	-1.0	-55.33	312.97	-2.23	-57.56
CC1=CC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075179	0	35	-1.0	-53.81	314.11	-2.10	-55.91
C=CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075180	0	31	-1.0	-53.39	280.75	-3.87	-57.26
CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL250005075181	0	39	-1.0	-44.52	300.16	1.67	-42.85
CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL250005075182	0	39	-1.0	-46.46	302.30	1.81	-44.65
CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075183	0	39	-1.0	-51.71	323.46	1.60	-50.11
CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075184	0	36	-1.0	-52.04	303.14	0.79	-51.25
O=C(CO)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075185	0	37	-1.0	-56.60	313.93	-1.33	-57.93
CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005075186	0	39	-1.0	-50.88	325.34	1.71	-49.17
CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005075187	0	36	-1.0	-48.53	303.18	0.91	-47.62
O=C(CO)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005075188	0	37	-1.0	-55.93	315.81	-1.18	-57.11
C=CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005075189	0	37	-1.0	-51.19	317.04	1.41	-49.78
CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075190	0	36	-1.0	-46.88	309.13	-2.70	-49.58
CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075191	0	33	-1.0	-47.62	289.44	-3.43	-51.05
CC(NC(=O)C1CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075192	0	37	-1.0	-47.16	319.60	-1.73	-48.89
COCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075193	0	37	-1.0	-50.17	322.45	-3.23	-53.40
CCCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075194	0	39	-1.0	-47.20	331.23	-1.84	-49.04
CC(C)C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075195	0	39	-1.0	-46.47	328.68	-2.03	-48.50
CC(NC(=O)C(N)=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075196	0	34	-1.0	-48.08	304.48	-7.35	-55.43
C=CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075197	0	37	-1.0	-47.47	322.64	-2.07	-49.54
CC(NC(=O)CO)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075198	0	34	-1.0	-51.70	300.20	-5.53	-57.23
CC(O)C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075199	0	37	-1.0	-47.26	319.93	-4.83	-52.09
CC(NC(=O)[C@@H](C)O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075200	0	37	-1.0	-50.27	320.24	-4.86	-55.13
CC(NC(=O)[C@H](C)O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075201	0	37	-1.0	-47.13	319.30	-4.82	-51.95
CC=CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075202	0	37	-1.0	-46.97	322.71	-2.08	-49.05
COCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075203	0	37	-1.0	-53.67	324.48	-3.07	-56.74
CCCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075204	0	39	-1.0	-46.27	332.64	-1.80	-48.07
CC(C)C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075205	0	39	-1.0	-50.11	328.18	-1.98	-52.09
CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075206	0	36	-1.0	-46.56	311.15	-2.56	-49.12
CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075207	0	33	-1.0	-50.67	290.18	-3.34	-54.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC2)C1	REAL250005075208	0	37	-1.0	-50.27	322.27	-1.72	-51.99
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(N)=O)C1	REAL250005075209	0	34	-1.0	-46.99	304.40	-7.18	-54.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CO)C1	REAL250005075210	0	34	-1.0	-50.87	301.62	-5.44	-56.31
CC(O)C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075211	0	37	-1.0	-47.42	317.36	-4.85	-52.27
CC(=O)C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075212	0	35	-1.0	-46.44	310.70	-3.53	-49.97
CC=CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075213	0	37	-1.0	-46.68	324.48	-1.97	-48.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@H](C)O)C1	REAL250005075214	0	37	-1.0	-51.08	320.07	-4.75	-55.83
C=CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075215	0	37	-1.0	-50.48	324.66	-1.94	-52.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC#N)C1	REAL250005075216	0	34	-1.0	-54.09	310.61	-2.88	-56.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@@H](C)O)C1	REAL250005075217	0	37	-1.0	-47.44	317.36	-4.85	-52.29
C=CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075218	0	34	-1.0	-50.51	302.86	-2.71	-53.22
CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075219	0	40	-1.0	-48.91	329.35	3.34	-45.57
CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075220	0	37	-1.0	-49.15	306.03	2.42	-46.73
CN(CCCCN(C)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005075221	0	41	-1.0	-54.80	339.51	4.05	-50.75
COCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075222	0	41	-1.0	-51.96	342.07	2.73	-49.23
CCCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075223	0	43	-1.0	-48.69	350.85	4.11	-44.58
CC(C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075224	0	43	-1.0	-48.57	346.23	3.78	-44.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005075225	0	38	-1.0	-47.33	322.76	-1.29	-48.62
C=CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075226	0	41	-1.0	-49.03	342.26	3.88	-45.15
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005075227	0	38	-1.0	-53.56	319.82	0.45	-53.11
CC(O)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075228	0	41	-1.0	-53.26	335.38	0.96	-52.30
C[C@@H](O)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075229	0	41	-1.0	-55.25	336.89	1.01	-54.24
C[C@H](O)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075230	0	41	-1.0	-49.32	336.28	1.01	-48.31
CC=CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075231	0	41	-1.0	-55.08	341.83	3.92	-51.16
COCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075232	0	41	-1.0	-51.96	342.07	2.73	-49.23
CCCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075233	0	43	-1.0	-48.69	350.85	4.11	-44.58
CC(C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075234	0	43	-1.0	-48.57	346.23	3.78	-44.79
CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075235	0	40	-1.0	-48.91	329.35	3.34	-45.57
CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075236	0	37	-1.0	-49.15	306.03	2.42	-46.73
CN(CCCCN(C)C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005075237	0	41	-1.0	-54.80	339.51	4.05	-50.75
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005075238	0	38	-1.0	-47.33	322.76	-1.29	-48.62
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005075239	0	38	-1.0	-53.56	319.82	0.45	-53.11
CC(O)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075240	0	41	-1.0	-53.26	335.38	0.96	-52.30
CC(=O)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075241	0	39	-1.0	-50.28	329.36	2.52	-47.76
CC=CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075242	0	41	-1.0	-55.08	341.83	3.92	-51.16
C[C@H](O)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075243	0	41	-1.0	-49.32	336.28	1.01	-48.31
C=CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075244	0	41	-1.0	-49.03	342.26	3.88	-45.15
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC#N	REAL250005075245	0	38	-1.0	-56.89	328.81	3.02	-53.87
C[C@@H](O)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075246	0	41	-1.0	-55.25	336.89	1.01	-54.24
C=CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005075247	0	38	-1.0	-55.07	320.11	3.04	-52.03
CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075248	0	33	-1.0	-49.47	299.39	0.48	-48.99
CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075249	0	30	-1.0	-49.76	279.08	-0.33	-50.09
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005075250	0	34	-1.0	-47.74	309.83	1.34	-46.40
COCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075251	0	34	-1.0	-52.57	312.11	-0.15	-52.72
CCCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075252	0	36	-1.0	-49.29	320.89	1.25	-48.04
CC(C)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075253	0	36	-1.0	-49.13	318.94	1.14	-47.99
NC(=O)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075254	0	31	-1.0	-47.75	294.74	-4.19	-51.94
C=CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075255	0	34	-1.0	-49.55	312.30	1.02	-48.53
O=C(CO)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075256	0	31	-1.0	-54.22	289.86	-2.44	-56.66
CC(O)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075257	0	34	-1.0	-50.01	310.19	-1.65	-51.66
C[C@@H](O)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075258	0	34	-1.0	-51.70	310.45	-1.59	-53.29
C[C@H](O)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075259	0	34	-1.0	-48.02	310.11	-1.57	-49.59
CC=CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075260	0	34	-1.0	-49.35	312.96	1.08	-48.27
COCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075261	0	34	-1.0	-51.89	313.97	0.09	-51.80
CCCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075262	0	36	-1.0	-48.49	322.75	1.46	-47.03
CC(C)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075263	0	36	-1.0	-49.26	321.44	1.22	-48.04
CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075264	0	33	-1.0	-48.79	301.25	0.69	-48.10
CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075265	0	30	-1.0	-49.10	280.24	-0.16	-49.26
O=C(NCC(F)=C1CN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005075266	0	34	-1.0	-48.62	311.77	1.46	-47.16
NC(=O)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075267	0	31	-1.0	-47.63	294.47	-4.06	-51.69
O=C(CO)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075268	0	31	-1.0	-53.55	291.71	-2.19	-55.74
CC(O)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075269	0	34	-1.0	-53.17	310.02	-1.59	-54.76
CC(=O)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075270	0	32	-1.0	-46.66	300.88	-0.27	-46.93
CC=CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075271	0	34	-1.0	-48.80	314.62	1.29	-47.51
C[C@H](O)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075272	0	34	-1.0	-49.07	307.53	-1.60	-50.67
C=CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075273	0	34	-1.0	-48.71	314.16	1.23	-47.48
N#CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075274	0	31	-1.0	-57.17	300.71	0.38	-56.79
C[C@@H](O)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075275	0	34	-1.0	-53.17	310.02	-1.59	-54.76
C=CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075276	0	31	-1.0	-49.03	292.90	0.41	-48.62
CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075277	0	41	-1.0	-46.03	319.81	1.71	-44.32
CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075278	0	38	-1.0	-46.41	299.50	0.90	-45.51
O=C(CO)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075279	0	39	-1.0	-49.97	310.28	-1.21	-51.18
CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005075280	0	41	-1.0	-47.83	323.62	2.00	-45.83
CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005075281	0	38	-1.0	-47.92	301.39	1.13	-46.79
O=C(CO)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005075282	0	39	-1.0	-52.66	313.53	-1.06	-53.72
C=CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL250005075283	0	39	-1.0	-48.07	313.82	1.69	-46.38
CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075284	0	33	-1.0	-53.91	288.06	1.19	-52.72
COCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075285	0	37	-1.0	-53.01	321.73	0.26	-52.75
CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075286	0	30	-1.0	-54.22	267.00	0.34	-53.88
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC1)C2	REAL250005075287	0	34	-1.0	-49.80	298.55	1.93	-47.87
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC1)C2	REAL250005075288	0	37	-1.0	-53.27	314.68	2.47	-50.80
O=C(CC1CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075289	0	37	-1.0	-49.60	318.97	2.71	-46.89
CC(C)(F)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075290	0	36	-1.0	-48.29	310.91	1.65	-46.64
COCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075291	0	34	-1.0	-57.23	300.78	0.60	-56.63
CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075292	0	36	-1.0	-53.70	309.56	1.96	-51.74
CC(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075293	0	39	-1.0	-53.16	326.29	2.55	-50.61
CC1CC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075294	0	37	-1.0	-49.94	319.80	2.60	-47.34
CCOCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075295	0	37	-1.0	-57.27	322.64	1.56	-55.71
CC(C)=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075296	0	37	-1.0	-52.71	317.20	2.46	-50.25
CSCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075297	0	34	-1.0	-56.24	311.12	1.62	-54.62
CCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075298	0	39	-1.0	-53.80	331.06	2.74	-51.06
CC(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075299	0	36	-1.0	-48.04	308.18	1.71	-46.33
CCC(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075300	0	39	-1.0	-55.41	326.78	2.36	-53.05
COC(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075301	0	37	-1.0	-57.09	317.19	1.13	-55.96
C=CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075302	0	37	-1.0	-53.48	322.37	2.52	-50.96
CC=C(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075303	0	37	-1.0	-48.78	311.65	2.04	-46.74
CC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL250005075304	0	37	-1.0	-53.42	320.23	2.42	-51.00
C[C@@H]1C[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075305	0	37	-1.0	-50.05	319.79	2.62	-47.43
CCC(F)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075306	0	36	-1.0	-54.01	314.76	1.93	-52.08
O=C(CCCF)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075307	0	36	-1.0	-56.72	316.14	2.10	-54.62
C[C@H]1C[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075308	0	37	-1.0	-49.69	319.94	2.61	-47.08
NC(=O)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075309	0	31	-1.0	-49.50	281.23	-3.56	-53.06
CC(C)(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075310	0	39	-1.0	-53.43	319.42	1.95	-51.48
C=CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075311	0	34	-1.0	-53.99	300.97	1.73	-52.26
C[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075312	0	39	0.0	-77.94	323.65	1.90	-76.04
CN(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075312	1	38	-1.0	-54.18	321.56	-0.50	-54.68
C=CC(O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075313	0	35	-1.0	-54.16	307.49	-0.29	-54.45
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1COC1)C2	REAL250005075314	0	35	-1.0	-54.19	305.36	-0.31	-54.50
CO[C@H](C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075315	0	37	-1.0	-57.16	318.02	1.13	-56.03
CCC=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075316	0	37	-1.0	-50.25	322.41	2.53	-47.72
O=C(CO)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075318	0	31	-1.0	-59.09	278.53	-1.69	-60.78
CC(O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075319	0	34	-1.0	-58.72	296.64	-1.11	-59.83
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC1F)C2	REAL250005075320	0	34	-1.0	-58.42	303.27	2.06	-56.36
O=C(CCF)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075321	0	33	-1.0	-49.58	294.49	1.33	-48.25
O=C(C=CCF)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075322	0	34	-1.0	-52.26	307.51	1.87	-50.39
C#CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075323	0	35	-1.0	-53.35	315.34	2.48	-50.87
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCO1)C2	REAL250005075324	0	35	-1.0	-53.50	306.39	0.74	-52.76
CC(C)(O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075325	0	37	-1.0	-48.78	315.36	-1.33	-50.11
CC1=CC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075326	0	35	-1.0	-49.49	313.38	2.71	-46.78
C[C@@H](O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075327	0	34	-1.0	-49.98	294.27	-1.11	-51.09
O=C(C=CCO)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075328	0	35	-1.0	-57.34	312.48	-1.59	-58.93
COC(F)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075329	0	34	-1.0	-57.01	305.65	-0.03	-57.04
O=C(C1=CCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075330	0	35	-1.0	-51.11	305.21	2.31	-48.80
CON=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075331	0	34	-1.0	-56.00	310.28	-0.26	-56.26
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1(F)CC1)C2	REAL250005075332	0	34	-1.0	-52.16	301.91	1.92	-50.24
CC=C(F)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075333	0	34	-1.0	-49.79	304.28	1.71	-48.08
CC(CO)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075334	0	37	-1.0	-50.81	315.68	-1.66	-52.47
C[C@H](O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075335	0	34	-1.0	-54.46	294.28	-1.10	-55.56
C=C1CC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075336	0	35	-1.0	-53.40	312.15	2.54	-50.86
CC(CF)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075337	0	36	-1.0	-53.76	314.12	1.85	-51.91
C=C(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075338	0	37	-1.0	-53.64	322.32	2.38	-51.26
CC=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075339	0	34	-1.0	-53.88	301.38	1.78	-52.10
C[C@@H]1C[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075340	0	37	-1.0	-50.05	319.79	2.62	-47.43
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)[C@H](O)CF)C2	REAL250005075341	0	34	-1.0	-54.98	302.71	-0.93	-55.91
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1(O)CC1)C2	REAL250005075342	0	35	-1.0	-53.14	308.34	-1.43	-54.57
O=C(CC1CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075343	0	37	-1.0	-49.60	318.97	2.71	-46.89
CC(C)(F)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075344	0	36	-1.0	-48.29	310.91	1.65	-46.64
COCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075345	0	34	-1.0	-57.23	300.78	0.60	-56.63
CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075346	0	36	-1.0	-53.70	309.56	1.96	-51.74
CC(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075347	0	39	-1.0	-53.16	326.29	2.55	-50.61
CC1CC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075348	0	37	-1.0	-49.94	319.80	2.60	-47.34
CCOCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075349	0	37	-1.0	-57.27	322.64	1.56	-55.71
CC(C)=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075350	0	37	-1.0	-52.71	317.20	2.46	-50.25
CSCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075351	0	34	-1.0	-56.24	311.12	1.62	-54.62
CCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075352	0	39	-1.0	-53.80	331.06	2.74	-51.06
CC(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075353	0	36	-1.0	-48.04	308.18	1.71	-46.33
CCC(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075354	0	39	-1.0	-55.41	326.78	2.36	-53.05
COC(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075355	0	37	-1.0	-57.09	317.19	1.13	-55.96
C=CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075356	0	37	-1.0	-53.48	322.37	2.52	-50.96
CC(C#N)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075357	0	34	-1.0	-60.77	308.16	1.38	-59.39
CC=C(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075358	0	37	-1.0	-48.78	311.65	2.04	-46.74
CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075359	0	33	-1.0	-53.91	288.06	1.19	-52.72
COCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075360	0	37	-1.0	-53.01	321.73	0.26	-52.75
CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075361	0	30	-1.0	-54.22	267.00	0.34	-53.88
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC1)C2	REAL250005075362	0	34	-1.0	-49.80	298.55	1.93	-47.87
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC1)C2	REAL250005075363	0	37	-1.0	-53.27	314.68	2.47	-50.80
NC(=O)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075364	0	31	-1.0	-49.50	281.23	-3.56	-53.06
CC(C)(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075365	0	39	-1.0	-53.43	319.42	1.95	-51.48
CC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL250005075366	0	37	-1.0	-53.42	320.23	2.42	-51.00
C[C@@H]1C[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075367	0	37	-1.0	-50.05	319.79	2.62	-47.43
CCC(F)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075368	0	36	-1.0	-54.01	314.76	1.93	-52.08
O=C(CCCF)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075369	0	36	-1.0	-56.72	316.14	2.10	-54.62
C[C@H]1C[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075370	0	37	-1.0	-49.69	319.94	2.61	-47.08
O=C(CO)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075371	0	31	-1.0	-59.09	278.53	-1.69	-60.78
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCO1)C2	REAL250005075372	0	35	-1.0	-53.50	306.39	0.74	-52.76
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1COC1)C2	REAL250005075373	0	35	-1.0	-54.19	305.36	-0.31	-54.50
O=C(C=CCO)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075374	0	35	-1.0	-57.34	312.48	-1.59	-58.93
CCC=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075375	0	37	-1.0	-50.25	322.41	2.53	-47.72
C#CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075376	0	35	-1.0	-53.35	315.34	2.48	-50.87
C=CC(O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075377	0	35	-1.0	-54.16	307.49	-0.29	-54.45
CC(O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075378	0	34	-1.0	-58.72	296.64	-1.11	-59.83
CC(=O)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075379	0	32	-1.0	-49.12	288.15	0.25	-48.87
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1(F)CC1)C2	REAL250005075380	0	34	-1.0	-52.16	301.91	1.92	-50.24
CC=C(F)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075381	0	34	-1.0	-49.79	304.28	1.71	-48.08
CC(CO)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075382	0	37	-1.0	-50.81	315.68	-1.66	-52.47
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1(O)CC1)C2	REAL250005075383	0	35	-1.0	-53.14	308.34	-1.43	-54.57
O=C(C1=CCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075384	0	35	-1.0	-51.11	305.21	2.31	-48.80
CC(CF)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075385	0	36	-1.0	-53.76	314.12	1.85	-51.91
CC=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075386	0	34	-1.0	-53.88	301.38	1.78	-52.10
O=C(C=CCF)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075387	0	34	-1.0	-52.26	307.51	1.87	-50.39
C[C@H](O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075389	0	34	-1.0	-54.46	294.28	-1.10	-55.56
CON=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075390	0	34	-1.0	-56.00	310.28	-0.26	-56.26
COC(F)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075391	0	34	-1.0	-57.01	305.65	-0.03	-57.04
C[C@@H]1C[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075392	0	37	-1.0	-50.05	319.79	2.62	-47.43
CC(C)(O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075393	0	37	-1.0	-48.78	315.36	-1.33	-50.11
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)[C@H](O)CF)C2	REAL250005075394	0	34	-1.0	-54.98	302.71	-0.93	-55.91
C=C(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075395	0	37	-1.0	-53.64	322.32	2.38	-51.26
C=CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075396	0	34	-1.0	-53.99	300.97	1.73	-52.26
C[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075397	0	39	0.0	-77.94	323.65	1.90	-76.04
CN(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075397	1	38	-1.0	-54.18	321.56	-0.50	-54.68
N#CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075398	0	31	-1.0	-63.42	287.52	0.87	-62.55
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC1F)C2	REAL250005075399	0	34	-1.0	-58.42	303.27	2.06	-56.36
O=C(CCF)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075400	0	33	-1.0	-49.58	294.49	1.33	-48.25
CO[C@H](C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075401	0	37	-1.0	-57.16	318.02	1.13	-56.03
C[C@@H](O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075402	0	34	-1.0	-49.98	294.27	-1.11	-51.09
C=C1CC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075403	0	35	-1.0	-53.40	312.15	2.54	-50.86
CC1=CC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075404	0	35	-1.0	-49.49	313.38	2.71	-46.78
C=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075405	0	31	-1.0	-50.48	279.60	0.89	-49.59
CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL250005075406	0	36	-1.0	-45.75	304.58	-0.78	-46.53
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(C)=O	REAL250005075407	0	33	-1.0	-46.92	284.90	-1.65	-48.57
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC1	REAL250005075408	0	37	-1.0	-45.84	315.11	-0.03	-45.87
COCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL250005075409	0	37	-1.0	-48.81	318.23	-1.47	-50.28
CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL250005075410	0	39	-1.0	-45.61	326.14	-0.02	-45.63
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)C	REAL250005075411	0	39	-1.0	-45.27	324.18	-0.14	-45.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(N)=O	REAL250005075412	0	34	-1.0	-46.96	299.93	-5.46	-52.42
C=CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL250005075413	0	37	-1.0	-45.91	317.48	-0.25	-46.16
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CO	REAL250005075414	0	34	-1.0	-50.60	295.96	-3.76	-54.36
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)O	REAL250005075415	0	37	-1.0	-46.63	316.30	-2.97	-49.60
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H](C)O	REAL250005075416	0	37	-1.0	-45.86	315.42	-2.93	-48.79
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H](C)O	REAL250005075417	0	37	-1.0	-47.57	316.28	-2.98	-50.55
CC=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL250005075418	0	37	-1.0	-45.86	318.19	-0.18	-46.04
COCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075419	0	37	-1.0	-53.74	320.27	-1.25	-54.99
CCCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075420	0	39	-1.0	-50.40	329.04	0.11	-50.29
CO[C@@H]1CN(C(=O)C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075421	0	39	-1.0	-48.67	327.13	-0.18	-48.85
CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075422	0	36	-1.0	-50.69	307.51	-0.64	-51.33
CO[C@@H]1CN(C(C)=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075423	0	33	-1.0	-50.89	285.56	-1.52	-52.41
CO[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075424	0	37	-1.0	-52.63	318.44	0.05	-52.58
CO[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075425	0	34	-1.0	-47.34	300.01	-5.33	-52.67
CO[C@@H]1CN(C(=O)CO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075426	0	34	-1.0	-57.02	298.93	-3.56	-60.58
CO[C@@H]1CN(C(=O)C(C)O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075427	0	37	-1.0	-51.67	314.59	-2.94	-54.61
CO[C@@H]1CN(C(=O)C(C)=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075428	0	35	-1.0	-46.92	306.47	-1.54	-48.46
CC=CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075429	0	37	-1.0	-52.14	321.24	-0.09	-52.23
CO[C@@H]1CN(C(=O)[C@H](C)O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075430	0	37	-1.0	-52.47	314.21	-3.00	-55.47
C=CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075431	0	37	-1.0	-50.61	320.48	-0.11	-50.72
CO[C@@H]1CN(C(=O)CC#N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075432	0	34	-1.0	-60.62	307.92	-0.99	-61.61
CO[C@@H]1CN(C(=O)[C@@H](C)O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075433	0	37	-1.0	-54.06	314.36	-3.00	-57.06
C=CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075434	0	34	-1.0	-50.99	298.44	-0.97	-51.96
CC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075435	0	41	-1.0	-53.20	318.69	2.00	-51.20
CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075436	0	41	-1.0	-50.30	323.68	2.25	-48.05
CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075437	0	36	-1.0	-53.50	301.77	1.50	-52.00
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075438	0	33	-1.0	-53.56	281.48	0.68	-52.88
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC1	REAL250005075439	0	37	-1.0	-53.06	312.28	2.27	-50.79
COCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075440	0	37	-1.0	-56.96	314.49	0.86	-56.10
CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075441	0	39	-1.0	-53.39	323.24	2.26	-51.13
CC(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075442	0	39	-1.0	-50.65	324.92	1.86	-48.79
NC(=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075443	0	34	-1.0	-48.51	297.07	-3.18	-51.69
C=CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075444	0	37	-1.0	-53.78	314.68	2.05	-51.73
O=C(CO)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075445	0	34	-1.0	-58.75	292.24	-1.42	-60.17
CC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075446	0	37	-1.0	-53.69	312.53	-0.65	-54.34
O=C(CCF)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075447	0	36	-1.0	-52.00	308.33	1.63	-50.37
C[C@@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075448	0	37	-1.0	-58.24	312.91	-0.66	-58.90
C[C@H](O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075449	0	37	-1.0	-53.67	312.53	-0.65	-54.32
CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL250005075450	0	37	-1.0	-53.34	315.32	2.09	-51.25
COCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075451	0	37	-1.0	-46.33	317.68	1.03	-45.30
CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075452	0	39	-1.0	-45.41	328.96	2.09	-43.32
CC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075453	0	39	-1.0	-44.15	324.83	2.15	-42.00
CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075454	0	36	-1.0	-43.87	304.96	1.62	-42.25
CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075455	0	33	-1.0	-44.26	283.72	0.77	-43.49
O=C(NC1CN(C(=O)C2CC2)CC12CC2)C1=CC(=O)[N-]O1	REAL250005075456	0	37	-1.0	-45.01	318.22	2.10	-42.91
NC(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075457	0	34	-1.0	-46.43	297.21	-3.03	-49.46
O=C(CO)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075458	0	34	-1.0	-49.73	297.94	-1.56	-51.29
CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075459	0	37	-1.0	-47.15	313.75	-1.04	-48.19
CC(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075460	0	35	-1.0	-45.04	304.62	0.77	-44.27
CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075461	0	37	-1.0	-44.28	317.33	2.19	-42.09
C[C@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075462	0	37	-1.0	-44.50	311.85	-0.72	-45.22
C=CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075463	0	37	-1.0	-43.92	317.87	2.17	-41.75
N#CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075464	0	34	-1.0	-52.06	306.93	1.01	-51.05
O=C(CCF)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075465	0	36	-1.0	-43.44	311.55	1.76	-41.68
C[C@@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075466	0	37	-1.0	-50.98	312.14	-0.71	-51.69
C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL250005075467	0	34	-1.0	-44.50	295.61	1.30	-43.20
CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075468	0	39	-1.0	-46.69	306.24	2.60	-44.09
CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075469	0	39	-1.0	-51.45	308.80	2.76	-48.69
CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL250005075470	0	38	-1.0	-50.17	310.15	1.45	-48.72
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(C)=O	REAL250005075471	0	35	-1.0	-50.55	289.90	0.68	-49.87
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC1	REAL250005075472	0	39	-1.0	-49.36	320.30	2.26	-47.10
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC	REAL250005075473	0	39	-1.0	-53.38	324.01	0.89	-52.49
CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL250005075474	0	41	-1.0	-50.37	332.65	2.28	-48.09
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)C	REAL250005075475	0	41	-1.0	-49.80	330.08	2.18	-47.62
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(N)=O	REAL250005075476	0	36	-1.0	-48.12	306.50	-3.15	-51.27
C=CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL250005075477	0	39	-1.0	-50.55	323.06	1.99	-48.56
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CO	REAL250005075478	0	36	-1.0	-54.96	301.69	-1.40	-56.36
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)O	REAL250005075479	0	39	-1.0	-53.77	321.40	-0.65	-54.42
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCF	REAL250005075480	0	38	-1.0	-49.11	317.11	1.66	-47.45
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H](C)O	REAL250005075481	0	39	-1.0	-49.88	321.65	-0.63	-50.51
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H](C)O	REAL250005075482	0	39	-1.0	-53.64	321.40	-0.65	-54.29
CC=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL250005075483	0	39	-1.0	-49.87	323.75	2.08	-47.79
CC[C@@H]1CN(C(=O)COC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075484	0	39	-1.0	-47.91	326.47	1.08	-46.83
CCCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075485	0	41	-1.0	-44.98	334.92	2.46	-42.52
CC[C@@H]1CN(C(=O)C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075486	0	41	-1.0	-44.72	331.90	2.18	-42.54
CCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075487	0	38	-1.0	-46.31	313.13	1.59	-44.72
CC[C@@H]1CN(C(C)=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075488	0	35	-1.0	-45.60	292.09	0.83	-44.77
CC[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075489	0	39	-1.0	-45.33	324.17	2.43	-42.90
CC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075490	0	36	-1.0	-46.43	306.05	-3.04	-49.47
CC[C@@H]1CN(C(=O)CO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075491	0	36	-1.0	-49.46	304.22	-1.20	-50.66
CC[C@@H]1CN(C(=O)C(C)O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075492	0	39	-1.0	-48.11	319.40	-0.76	-48.87
CC[C@@H]1CN(C(=O)C(C)=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075493	0	37	-1.0	-45.18	313.14	0.76	-44.42
CC=CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075494	0	39	-1.0	-45.53	326.93	2.26	-43.27
CC[C@@H]1CN(C(=O)[C@H](C)O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075495	0	39	-1.0	-47.95	319.43	-0.72	-48.67
C=CCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075496	0	39	-1.0	-45.45	326.66	2.23	-43.22
CC[C@@H]1CN(C(=O)CC#N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075497	0	36	-1.0	-51.98	313.21	1.37	-50.61
CC[C@@H]1CN(C(=O)CCF)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075498	0	38	-1.0	-44.61	320.69	1.85	-42.76
CC[C@@H]1CN(C(=O)[C@@H](C)O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075499	0	39	-1.0	-51.66	319.74	-0.69	-52.35
C=CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075500	0	36	-1.0	-45.70	304.53	1.36	-44.34
CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075501	0	41	-1.0	-52.28	318.60	2.35	-49.93
CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075502	0	38	-1.0	-52.47	298.01	1.55	-50.92
O=C(CO)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075503	0	39	-1.0	-56.92	309.08	-0.57	-57.49
CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075504	0	41	-1.0	-50.44	323.61	2.56	-47.88
CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075505	0	38	-1.0	-50.58	302.56	1.76	-48.82
O=C(CO)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075506	0	39	-1.0	-55.53	314.07	-0.33	-55.86
C=CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075507	0	39	-1.0	-47.38	314.30	2.26	-45.12
CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075508	0	38	-1.0	-50.89	319.52	1.48	-49.41
CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075509	0	35	-1.0	-54.25	300.38	0.73	-53.52
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC1	REAL250005075510	0	39	-1.0	-50.96	330.04	2.25	-48.71
COCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075511	0	39	-1.0	-54.03	332.24	0.85	-53.18
CCCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075512	0	41	-1.0	-50.79	341.02	2.25	-48.54
CC(C)C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075513	0	41	-1.0	-50.52	338.57	2.14	-48.38
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(N)=O	REAL250005075514	0	36	-1.0	-53.17	314.86	-3.17	-56.34
C=CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075515	0	39	-1.0	-51.43	332.43	2.03	-49.40
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CO	REAL250005075516	0	36	-1.0	-55.27	309.99	-1.43	-56.70
CC(O)C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075517	0	39	-1.0	-51.31	329.54	-0.67	-51.98
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCF	REAL250005075518	0	38	-1.0	-51.04	326.11	1.62	-49.42
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@@H](C)O	REAL250005075519	0	39	-1.0	-52.82	329.40	-0.50	-53.32
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@H](C)O	REAL250005075520	0	39	-1.0	-55.52	331.50	-0.58	-56.10
CC=CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075521	0	39	-1.0	-51.15	333.09	2.11	-49.04
COCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075522	0	39	-1.0	-51.13	333.34	1.17	-49.96
CCCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075523	0	41	-1.0	-48.16	342.12	2.53	-45.63
CC(C)C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075524	0	41	-1.0	-48.16	337.55	2.19	-45.97
CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075525	0	38	-1.0	-48.43	320.62	1.77	-46.66
CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075526	0	35	-1.0	-48.85	299.05	0.89	-47.96
CC(CC1CN(C(=O)C2CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005075527	0	39	-1.0	-51.58	333.12	2.43	-49.15
CC(CC1CN(C(=O)C(N)=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005075528	0	36	-1.0	-53.31	314.70	-3.14	-56.45
CC(CC1CN(C(=O)CO)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005075529	0	36	-1.0	-52.80	311.95	-1.26	-54.06
CC(O)C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075530	0	39	-1.0	-49.00	326.87	-0.53	-49.53
CC(=O)C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075531	0	37	-1.0	-51.39	321.11	0.65	-50.74
CC=CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075532	0	39	-1.0	-49.10	333.98	2.35	-46.75
CC(CC1CN(C(=O)[C@H](C)O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005075533	0	39	-1.0	-49.84	328.94	-0.51	-50.35
C=CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075534	0	39	-1.0	-48.69	333.53	2.31	-46.38
CC(CC1CN(C(=O)CC#N)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005075535	0	36	-1.0	-54.28	320.95	1.31	-52.97
CC(CC1CN(C(=O)CCF)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005075536	0	38	-1.0	-48.76	328.08	1.77	-46.99
CC(CC1CN(C(=O)[C@@H](C)O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005075537	0	39	-1.0	-51.23	328.78	-0.53	-51.76
C=CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075538	0	36	-1.0	-49.54	313.19	1.33	-48.21
CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075539	0	39	-1.0	-53.74	297.23	2.52	-51.22
CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL250005075540	0	39	-1.0	-52.13	297.78	2.57	-49.56
C=CCC1(NC(C)=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075541	0	39	-1.0	-43.19	309.31	1.96	-41.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(C)=O)C1	REAL250005075542	0	39	-1.0	-49.94	313.09	2.33	-47.61
CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075543	0	38	-1.0	-50.66	307.37	1.77	-48.89
CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075544	0	35	-1.0	-50.84	286.78	0.97	-49.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC1	REAL250005075545	0	39	-1.0	-50.88	317.95	2.54	-48.34
COCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075546	0	39	-1.0	-53.15	321.35	1.17	-51.98
CCCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075547	0	41	-1.0	-50.18	330.13	2.57	-47.61
CC(C)C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075548	0	41	-1.0	-50.18	328.18	2.46	-47.72
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(N)=O	REAL250005075549	0	36	-1.0	-49.58	302.72	-2.89	-52.47
C=CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075550	0	39	-1.0	-50.11	321.54	2.34	-47.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CO	REAL250005075551	0	36	-1.0	-54.67	299.10	-1.12	-55.79
CC(O)C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075552	0	39	-1.0	-54.81	318.51	-0.38	-55.19
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCF	REAL250005075553	0	38	-1.0	-49.23	315.22	1.94	-47.29
C[C@@H](O)C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075554	0	39	-1.0	-48.83	319.31	-0.29	-49.12
C[C@H](O)C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075555	0	39	-1.0	-53.26	319.65	-0.31	-53.57
CC=CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075556	0	39	-1.0	-50.89	320.95	2.38	-48.51
COCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075557	0	39	-1.0	-52.62	314.44	1.81	-50.81
CCCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075558	0	41	-1.0	-48.50	323.36	3.25	-45.25
CC(C)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075559	0	41	-1.0	-49.03	316.67	2.74	-46.29
CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075560	0	38	-1.0	-48.85	310.65	1.90	-46.95
CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075561	0	35	-1.0	-48.50	280.67	1.61	-46.89
CC1CCN(C(=O)C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075562	0	39	-1.0	-48.97	320.76	2.64	-46.33
CC1CCN(C(=O)C(N)=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075563	0	36	-1.0	-47.31	294.48	-2.21	-49.52
CC1CCN(C(=O)CO)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075564	0	36	-1.0	-52.26	301.87	-0.92	-53.18
CC(O)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075565	0	39	-1.0	-54.04	308.62	0.07	-53.97
CC(=O)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075566	0	37	-1.0	-46.35	301.90	1.61	-44.74
CC=CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075567	0	39	-1.0	-49.14	323.01	2.48	-46.66
C[C@H](O)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075568	0	39	-1.0	-48.31	316.84	-0.39	-48.70
C=CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075569	0	39	-1.0	-49.07	314.63	2.99	-46.08
CC1CCN(C(=O)CC#N)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075570	0	36	-1.0	-55.62	310.86	1.68	-53.94
CC1CCN(C(=O)CCF)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075571	0	38	-1.0	-47.66	308.45	2.63	-45.03
C[C@@H](O)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075572	0	39	-1.0	-47.68	317.82	-0.36	-48.04
C=CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075573	0	36	-1.0	-49.39	292.88	2.19	-47.20
CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075574	0	35	-1.0	-53.22	297.06	1.85	-51.37
COCCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075575	0	39	-1.0	-52.91	330.74	0.92	-51.99
CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075576	0	32	-1.0	-53.54	275.35	1.01	-52.53
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC1	REAL250005075577	0	36	-1.0	-50.65	307.84	2.58	-48.07
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC1	REAL250005075578	0	39	-1.0	-50.28	322.66	3.05	-47.23
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC1	REAL250005075579	0	39	-1.0	-53.74	327.83	3.38	-50.36
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)F	REAL250005075580	0	38	-1.0	-50.61	316.87	2.27	-48.34
COCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075581	0	36	-1.0	-57.07	309.79	1.22	-55.85
CCCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075582	0	38	-1.0	-53.17	318.56	2.62	-50.55
CC(C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075583	0	41	-1.0	-52.81	335.29	3.21	-49.60
CC1CC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075584	0	39	-1.0	-53.41	328.15	3.25	-50.16
CCOCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075585	0	39	-1.0	-57.23	331.64	2.18	-55.05
CC(C)=CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075586	0	39	-1.0	-52.29	325.60	3.14	-49.15
CSCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075587	0	36	-1.0	-56.53	320.13	2.30	-54.23
CCCCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075588	0	41	-1.0	-53.33	340.06	3.40	-49.93
CC(C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075589	0	38	-1.0	-53.27	311.70	2.22	-51.05
CCC(C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075590	0	41	-1.0	-53.42	331.52	2.94	-50.48
COC(C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075591	0	39	-1.0	-57.58	325.42	1.71	-55.87
C=CCCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075592	0	39	-1.0	-52.86	331.37	3.18	-49.68
CC=C(C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075593	0	39	-1.0	-54.14	325.52	2.79	-51.35
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C)CC1	REAL250005075594	0	39	-1.0	-50.93	325.01	2.90	-48.03
C[C@@H]1C[C@H]1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075595	0	39	-1.0	-50.30	329.26	3.24	-47.06
CCC(F)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075596	0	38	-1.0	-55.46	323.87	2.61	-52.85
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCF	REAL250005075597	0	38	-1.0	-56.23	325.15	2.76	-53.47
C[C@H]1C[C@@H]1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075598	0	39	-1.0	-53.54	327.62	3.33	-50.21
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(N)=O	REAL250005075599	0	33	-1.0	-50.73	289.79	-2.79	-53.52
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)C	REAL250005075600	0	41	-1.0	-53.70	325.67	2.53	-51.17
C=CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075601	0	36	-1.0	-53.32	309.98	2.39	-50.93
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+](C)C	REAL250005075602	0	41	0.0	-70.31	332.64	2.53	-67.78
CN(C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075602	1	40	-1.0	-53.52	330.56	0.14	-53.38
C=CC(O)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075603	0	37	-1.0	-54.64	313.60	0.22	-54.42
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1COC1	REAL250005075604	0	37	-1.0	-53.82	312.88	0.28	-53.54
CO[C@H](C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075605	0	39	-1.0	-57.10	324.47	1.68	-55.42
CCC=CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075606	0	39	-1.0	-53.22	330.89	3.20	-50.02
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CO	REAL250005075608	0	33	-1.0	-58.39	287.52	-1.06	-59.45
CC(O)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075609	0	36	-1.0	-55.11	302.76	-0.51	-55.62
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC1F	REAL250005075610	0	36	-1.0	-56.58	312.11	2.72	-53.86
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCF	REAL250005075611	0	35	-1.0	-52.35	303.65	1.99	-50.36
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=CCF	REAL250005075612	0	36	-1.0	-55.16	315.99	2.56	-52.60
C#CCCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075613	0	37	-1.0	-53.32	324.35	3.14	-50.18
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCO1	REAL250005075614	0	37	-1.0	-54.90	312.67	1.36	-53.54
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)O	REAL250005075615	0	39	-1.0	-50.93	320.47	-0.64	-51.57
CC1=CC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075616	0	37	-1.0	-53.91	321.97	3.31	-50.60
C[C@@H](O)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075617	0	36	-1.0	-55.24	301.53	-0.46	-55.70
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=CCO	REAL250005075618	0	37	-1.0	-56.91	320.91	-0.92	-57.83
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CCC1	REAL250005075619	0	37	-1.0	-51.56	313.87	2.98	-48.58
CON=CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075620	0	36	-1.0	-57.18	318.71	0.39	-56.79
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(F)CC1	REAL250005075621	0	36	-1.0	-51.43	311.25	2.54	-48.89
CC=C(F)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075622	0	36	-1.0	-50.48	312.77	2.43	-48.05
CC(CO)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075623	0	39	-1.0	-53.20	323.82	-1.03	-54.23
C[C@H](O)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075624	0	36	-1.0	-55.25	301.89	-0.46	-55.71
C=C1CC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075625	0	37	-1.0	-50.59	320.73	3.16	-47.43
CC(CF)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075626	0	38	-1.0	-52.29	319.17	2.41	-49.88
C=C(C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075627	0	39	-1.0	-53.39	331.59	3.05	-50.34
CC=CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075628	0	36	-1.0	-53.40	309.81	2.44	-50.96
C[C@@H]1C[C@H]1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075629	0	39	-1.0	-50.30	329.26	3.24	-47.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(O)CC1	REAL250005075630	0	37	-1.0	-51.82	317.77	-0.73	-52.55
CN(CC1CN(C(=O)CC2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075631	0	39	-1.0	-52.03	327.51	3.50	-48.53
CN(CC1CN(C(=O)C(C)(C)F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075632	0	38	-1.0	-48.05	318.69	2.29	-45.76
COCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075633	0	36	-1.0	-49.53	307.69	1.33	-48.20
CCCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075634	0	38	-1.0	-46.71	316.47	2.69	-44.02
CC(C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075635	0	41	-1.0	-46.28	333.20	3.29	-42.99
CC1CC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075636	0	39	-1.0	-47.25	326.87	3.36	-43.89
CCOCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075637	0	39	-1.0	-49.49	329.54	2.29	-47.20
CC(C)=CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075638	0	39	-1.0	-47.53	324.99	3.18	-44.35
CSCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075639	0	36	-1.0	-48.49	318.03	2.36	-46.13
CCCCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075640	0	41	-1.0	-46.86	338.59	3.38	-43.48
CC(C)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075641	0	38	-1.0	-55.65	317.80	2.47	-53.18
CCC(C)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075642	0	41	-1.0	-55.66	336.54	3.11	-52.55
COC(C)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075643	0	39	-1.0	-49.21	324.71	1.88	-47.33
C=CCCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075644	0	39	-1.0	-46.92	329.90	3.15	-43.77
CC(C#N)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075645	0	36	-1.0	-50.46	311.98	2.00	-48.46
CC=C(C)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075646	0	39	-1.0	-47.78	318.86	2.76	-45.02
CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075647	0	35	-1.0	-46.86	294.97	1.93	-44.93
COCCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075648	0	39	-1.0	-47.67	329.27	0.90	-46.77
CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075649	0	32	-1.0	-47.26	273.40	1.06	-46.20
CN(CC1CN(C(=O)C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075650	0	36	-1.0	-52.21	307.87	2.62	-49.59
CN(CC1CN(C(=O)C2CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075651	0	39	-1.0	-46.90	322.86	3.22	-43.68
CN(CC1CN(C(=O)C(N)=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075652	0	33	-1.0	-51.63	288.77	-2.81	-54.44
CN(CC1CN(C(=O)C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075653	0	41	-1.0	-46.68	325.93	2.68	-44.00
CN(CC1CN(C(=O)C2(C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075654	0	39	-1.0	-47.62	328.50	3.17	-44.45
C[C@@H]1C[C@H]1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075655	0	39	-1.0	-51.67	328.60	3.37	-48.30
CCC(F)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075656	0	38	-1.0	-48.00	322.79	2.58	-45.42
CN(CC1CN(C(=O)CCCF)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075657	0	38	-1.0	-48.31	323.68	2.74	-45.57
C[C@H]1C[C@@H]1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075658	0	39	-1.0	-47.39	326.56	3.34	-44.05
CN(CC1CN(C(=O)CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075659	0	33	-1.0	-51.02	286.06	-1.06	-52.08
CN(CC1CN(C(=O)C2CCO2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075660	0	37	-1.0	-50.09	314.41	1.50	-48.59
CN(CC1CN(C(=O)C2COC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075661	0	37	-1.0	-47.20	312.33	0.44	-46.76
CN(CC1CN(C(=O)C=CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075662	0	37	-1.0	-50.15	320.06	-0.84	-50.99
CCC=CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075663	0	39	-1.0	-47.70	330.04	3.28	-44.42
C#CCCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075664	0	37	-1.0	-47.37	322.25	3.21	-44.16
C=CC(O)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075665	0	37	-1.0	-47.70	319.04	0.23	-47.47
CC(O)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075666	0	36	-1.0	-47.90	304.24	-0.42	-48.32
CC(=O)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075667	0	34	-1.0	-49.84	296.23	0.87	-48.97
CN(CC1CN(C(=O)C2(F)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075668	0	36	-1.0	-48.65	310.14	2.62	-46.03
CC=C(F)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075669	0	36	-1.0	-48.57	311.82	2.47	-46.10
CC(CO)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075670	0	39	-1.0	-48.11	323.44	-1.02	-49.13
CN(CC1CN(C(=O)C2(O)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075671	0	37	-1.0	-54.29	311.29	-0.46	-54.75
CN(CC1CN(C(=O)C2=CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075672	0	37	-1.0	-53.07	314.98	3.16	-49.91
CC(CF)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075673	0	38	-1.0	-46.60	322.17	2.50	-44.10
CC=CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075674	0	36	-1.0	-47.92	308.95	2.52	-45.40
CN(CC1CN(C(=O)C=CCF)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075675	0	36	-1.0	-48.62	315.14	2.64	-45.98
C[C@H](O)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075677	0	36	-1.0	-47.76	304.45	-0.33	-48.09
CON=CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075678	0	36	-1.0	-50.01	317.93	0.38	-49.63
C[C@@H]1C[C@H]1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075679	0	39	-1.0	-51.67	328.60	3.37	-48.30
CN(CC1CN(C(=O)C(C)(C)O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075680	0	39	-1.0	-47.64	322.96	-0.54	-48.18
C=C(C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075681	0	39	-1.0	-46.96	329.23	3.12	-43.84
C=CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075682	0	36	-1.0	-47.31	308.50	2.36	-44.95
CN(CC1CN(C(=O)C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075683	0	41	0.0	-61.99	330.56	2.64	-59.35
CN(C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075683	1	40	-1.0	-47.39	328.47	0.23	-47.16
CN(CC1CN(C(=O)CC#N)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075684	0	33	-1.0	-52.28	295.06	1.51	-50.77
CN(CC1CN(C(=O)C2CC2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075685	0	36	-1.0	-50.21	312.32	2.66	-47.55
CN(CC1CN(C(=O)CCF)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075686	0	35	-1.0	-46.70	302.18	1.97	-44.73
CO[C@H](C)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075687	0	39	-1.0	-55.36	326.90	1.82	-53.54
C[C@@H](O)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075688	0	36	-1.0	-53.74	305.19	-0.41	-54.15
C=C1CC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075689	0	37	-1.0	-48.26	319.67	3.17	-45.09
CC1=CC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075690	0	37	-1.0	-49.22	321.09	3.30	-45.92
C=CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075691	0	33	-1.0	-47.91	287.23	1.65	-46.26
CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005075692	0	39	-1.0	-53.20	322.24	1.93	-51.27
CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005075693	0	36	-1.0	-53.52	301.93	1.12	-52.40
O=C(CO)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005075694	0	37	-1.0	-58.19	312.71	-0.99	-59.18
CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075695	0	39	-1.0	-49.73	325.74	2.07	-47.66
CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075696	0	36	-1.0	-49.44	303.19	1.21	-48.23
O=C(CO)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075697	0	37	-1.0	-54.69	316.20	-0.86	-55.55
C=CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075698	0	37	-1.0	-49.98	316.91	1.76	-48.22
CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075699	0	36	-1.0	-47.49	305.37	1.05	-46.44
CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075700	0	33	-1.0	-47.90	284.81	0.24	-47.66
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL250005075701	0	37	-1.0	-47.49	315.89	1.80	-45.69
COCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075702	0	37	-1.0	-50.10	318.10	0.40	-49.70
CCCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075703	0	39	-1.0	-47.32	326.87	1.81	-45.51
CC(C)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075704	0	39	-1.0	-51.62	326.73	1.67	-49.95
NC(=O)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075705	0	34	-1.0	-49.93	302.52	-3.68	-53.61
C=CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075706	0	37	-1.0	-47.70	318.29	1.59	-46.11
O=C(CO)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075707	0	34	-1.0	-51.55	295.84	-1.88	-53.43
CC(O)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075708	0	37	-1.0	-48.47	316.17	-1.10	-49.57
O=C(CCF)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075709	0	36	-1.0	-47.51	311.96	1.18	-46.33
C[C@@H](O)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075710	0	37	-1.0	-53.11	317.98	-1.16	-54.27
C[C@H](O)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075711	0	37	-1.0	-48.47	316.19	-1.12	-49.59
CC=CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075712	0	37	-1.0	-47.81	318.95	1.66	-46.15
COCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075713	0	37	-1.0	-52.74	321.72	0.54	-52.20
CCCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075714	0	39	-1.0	-48.10	330.56	1.87	-46.23
CC(C)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075715	0	39	-1.0	-48.11	326.25	1.55	-46.56
CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075716	0	36	-1.0	-48.34	309.07	1.12	-47.22
CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075717	0	33	-1.0	-48.73	288.75	0.29	-48.44
O=C(NC1CC2(C1)CN(C(=O)C1CC1)C2)C1=CC(=O)[N-]O1	REAL250005075718	0	37	-1.0	-53.88	318.29	1.93	-51.95
NC(=O)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075719	0	34	-1.0	-49.30	302.16	-3.63	-52.93
O=C(CO)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075720	0	34	-1.0	-54.26	299.46	-1.74	-56.00
CC(O)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075721	0	37	-1.0	-49.10	315.53	-1.17	-50.27
CC(=O)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075722	0	35	-1.0	-48.22	308.57	0.17	-48.05
CC=CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075723	0	37	-1.0	-49.93	322.32	1.72	-48.21
C[C@H](O)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075724	0	37	-1.0	-49.11	315.48	-1.19	-50.30
C=CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075725	0	37	-1.0	-49.73	321.91	1.68	-48.05
N#CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075726	0	34	-1.0	-57.26	308.46	0.82	-56.44
O=C(CCF)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075727	0	36	-1.0	-47.46	315.65	1.26	-46.20
C[C@@H](O)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075728	0	37	-1.0	-49.39	317.64	-1.16	-50.55
C=CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075729	0	34	-1.0	-50.04	300.60	0.84	-49.20
CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075730	0	38	-1.0	-52.81	293.05	2.80	-50.01
CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075731	0	35	-1.0	-52.93	272.58	2.00	-50.93
CC1CCN(C(=O)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075732	0	39	-1.0	-44.16	305.68	3.89	-40.27
COCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075733	0	39	-1.0	-56.39	305.77	2.18	-54.21
CCCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075734	0	41	-1.0	-52.87	314.55	3.56	-49.31
CC(C)C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075735	0	41	-1.0	-56.58	310.91	3.27	-53.31
CC1CCN(C(=O)C(N)=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075736	0	36	-1.0	-52.01	285.15	-1.97	-53.98
C=CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075737	0	39	-1.0	-53.85	305.96	3.34	-50.51
CC1CCN(C(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075738	0	36	-1.0	-57.40	283.52	-0.10	-57.50
CC(O)C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075739	0	39	-1.0	-62.43	297.20	0.32	-62.11
CC1CCN(C(=O)CCF)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075740	0	38	-1.0	-52.79	299.64	2.93	-49.86
C[C@@H](O)C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075741	0	39	-1.0	-44.66	299.55	0.73	-43.93
C[C@H](O)C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075742	0	39	-1.0	-60.11	300.91	0.41	-59.70
CC=CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075743	0	39	-1.0	-52.70	307.38	3.44	-49.26
COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075744	0	39	-1.0	-50.66	305.51	2.38	-48.28
CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075745	0	41	-1.0	-48.03	314.28	3.88	-44.15
CC(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075746	0	41	-1.0	-47.40	305.83	3.39	-44.01
CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075747	0	38	-1.0	-48.32	292.79	3.11	-45.21
CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075748	0	35	-1.0	-48.81	271.87	2.29	-46.52
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC1	REAL250005075749	0	39	-1.0	-47.53	301.60	3.47	-44.06
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(N)=O	REAL250005075750	0	36	-1.0	-43.87	285.08	-1.50	-45.37
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005075751	0	36	-1.0	-52.59	283.26	0.09	-52.50
CC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075752	0	39	-1.0	-47.84	299.81	0.66	-47.18
CC(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075753	0	37	-1.0	-43.59	292.48	2.30	-41.29
CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075754	0	39	-1.0	-47.63	305.53	3.69	-43.94
C[C@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075755	0	39	-1.0	-47.84	301.79	0.71	-47.13
C=CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075756	0	39	-1.0	-48.30	305.70	3.65	-44.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC#N	REAL250005075757	0	36	-1.0	-57.89	292.25	2.80	-55.09
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCF	REAL250005075758	0	38	-1.0	-47.33	299.38	3.25	-44.08
C[C@@H](O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075759	0	39	-1.0	-47.56	298.63	0.29	-47.27
C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL250005075760	0	36	-1.0	-48.07	283.80	2.82	-45.25
CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075761	0	39	-1.0	-45.59	276.94	2.02	-43.57
CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005075762	0	39	-1.0	-46.70	300.14	2.63	-44.07
C=CCC1(NC(C)=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075763	0	39	-1.0	-45.68	306.68	1.94	-43.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(C)=O)CC1	REAL250005075764	0	39	-1.0	-52.10	309.85	2.29	-49.81
CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075765	0	41	-1.0	-54.48	333.55	2.07	-52.41
CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075766	0	38	-1.0	-54.74	313.24	1.26	-53.48
O=C(CO)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005075767	0	39	-1.0	-59.47	324.02	-0.85	-60.32
CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005075768	0	41	-1.0	-50.12	336.17	2.20	-47.92
CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005075769	0	38	-1.0	-50.41	315.83	1.40	-49.01
O=C(CO)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005075770	0	39	-1.0	-54.74	325.79	-0.73	-55.47
C=CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL250005075771	0	39	-1.0	-50.47	327.27	1.90	-48.57
CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL250005075772	0	41	-1.0	-58.57	322.83	1.81	-56.76
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL250005075773	0	38	-1.0	-57.70	302.87	1.11	-56.59
CC1(C)CC(NC(=O)CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075774	0	39	-1.0	-64.07	313.49	-1.08	-65.15
CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL250005075775	0	41	-1.0	-44.33	326.12	2.14	-42.19
CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL250005075776	0	38	-1.0	-44.68	304.75	1.28	-43.40
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CO)C1	REAL250005075777	0	39	-1.0	-48.04	316.54	-0.78	-48.82
C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL250005075778	0	39	-1.0	-44.98	316.85	1.82	-43.16
C=CCC1(NC(=O)CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075779	0	36	-1.0	-46.73	309.31	1.09	-45.64
C=CCC1(NC(C)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075780	0	33	-1.0	-47.01	288.72	0.25	-46.76
C=CCC1(NC(=O)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075781	0	37	-1.0	-48.97	319.82	1.59	-47.38
C=CCC1(NC(=O)COC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075782	0	37	-1.0	-51.87	322.03	0.09	-51.78
C=CCC1(NC(=O)CCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075783	0	39	-1.0	-48.72	330.81	1.57	-47.15
C=CCC1(NC(=O)C(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075784	0	39	-1.0	-46.44	328.65	1.73	-44.71
C=CCC1(NC(=O)C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075785	0	34	-1.0	-49.10	304.67	-3.60	-52.70
C=CCC(=O)NC1(CC=C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075786	0	37	-1.0	-46.94	322.22	1.63	-45.31
C=CCC1(NC(=O)CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075787	0	34	-1.0	-53.23	299.78	-2.19	-55.42
C=CCC1(NC(=O)C(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075788	0	37	-1.0	-48.02	320.10	-1.21	-49.23
C=CCC1(NC(=O)CCF)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075789	0	36	-1.0	-48.19	315.90	0.94	-47.25
C=CCC1(NC(=O)[C@@H](C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075790	0	37	-1.0	-50.14	318.98	-1.34	-51.48
C=CCC1(NC(=O)[C@H](C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075791	0	37	-1.0	-50.50	320.46	-1.24	-51.74
C=CCC1(NC(=O)C=CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075792	0	37	-1.0	-47.20	322.87	1.67	-45.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC)C1	REAL250005075793	0	37	-1.0	-57.23	323.65	0.63	-56.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC)C1	REAL250005075794	0	39	-1.0	-54.25	332.47	1.90	-52.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)C)C1	REAL250005075795	0	39	-1.0	-54.95	332.04	1.72	-53.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC)C1	REAL250005075796	0	36	-1.0	-53.81	310.93	1.24	-52.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(C)=O)C1	REAL250005075797	0	33	-1.0	-53.62	289.87	0.47	-53.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC2)C1	REAL250005075798	0	37	-1.0	-54.40	321.49	1.90	-52.50
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(N)=O)C1	REAL250005075799	0	34	-1.0	-50.02	304.45	-3.58	-53.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CO)C1	REAL250005075800	0	34	-1.0	-58.98	301.40	-1.66	-60.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)O)C1	REAL250005075801	0	37	-1.0	-60.35	320.20	-1.09	-61.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)=O)C1	REAL250005075802	0	35	-1.0	-49.33	311.09	0.19	-49.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC)C1	REAL250005075803	0	37	-1.0	-55.23	324.67	1.76	-53.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](C)O)C1	REAL250005075804	0	37	-1.0	-52.00	320.59	-1.16	-53.16
C=CCC(=O)N1CC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075805	0	37	-1.0	-54.10	323.84	1.77	-52.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC#N)C1	REAL250005075806	0	34	-1.0	-62.64	310.39	0.92	-61.72
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCF)C1	REAL250005075807	0	36	-1.0	-52.82	317.56	1.29	-51.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H](C)O)C1	REAL250005075808	0	37	-1.0	-59.49	319.62	-1.15	-60.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C)C1	REAL250005075809	0	34	-1.0	-55.31	302.94	0.89	-54.42
CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005075810	0	39	-1.0	-52.36	318.72	1.41	-50.95
CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL250005075811	0	39	-1.0	-51.64	320.27	1.51	-50.13
CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075812	0	36	-1.0	-50.24	295.82	0.71	-49.53
CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075813	0	33	-1.0	-51.74	276.41	-0.00	-51.74
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL250005075814	0	37	-1.0	-50.67	306.14	1.52	-49.15
COCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075815	0	37	-1.0	-54.99	309.44	0.15	-54.84
CCCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075816	0	39	-1.0	-50.52	317.58	1.44	-49.08
CC(C)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075817	0	39	-1.0	-51.18	316.24	1.49	-49.69
NC(=O)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075818	0	34	-1.0	-47.38	291.43	-4.00	-51.38
C=CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075819	0	37	-1.0	-51.13	308.53	1.31	-49.82
O=C(CO)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075820	0	34	-1.0	-56.68	287.18	-2.14	-58.82
CC(O)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075821	0	37	-1.0	-54.61	307.08	-1.53	-56.14
O=C(CCF)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075822	0	36	-1.0	-49.42	303.11	0.82	-48.60
C[C@@H](O)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075823	0	37	-1.0	-51.94	307.50	-1.36	-53.30
C[C@H](O)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075824	0	37	-1.0	-52.13	306.45	-1.43	-53.56
CC=CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075825	0	37	-1.0	-51.32	310.28	1.43	-49.89
COCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075826	0	37	-1.0	-57.26	311.17	0.30	-56.96
CCCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075827	0	39	-1.0	-53.77	320.00	1.71	-52.06
CC(C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075828	0	39	-1.0	-46.03	317.76	1.35	-44.68
CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075829	0	36	-1.0	-53.55	299.34	0.81	-52.74
CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075830	0	33	-1.0	-53.88	279.04	0.03	-53.85
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC1)C2)C1=CC(=O)[N-]O1	REAL250005075831	0	37	-1.0	-53.40	309.48	1.71	-51.69
NC(=O)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075832	0	34	-1.0	-48.92	291.17	-3.87	-52.79
O=C(CO)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075833	0	34	-1.0	-59.19	288.92	-1.98	-61.17
CC(O)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075834	0	37	-1.0	-53.91	305.19	-1.48	-55.39
CC(=O)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075835	0	35	-1.0	-47.71	298.42	-0.06	-47.77
CC=CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075836	0	37	-1.0	-53.69	312.68	1.59	-52.10
C[C@H](O)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075837	0	37	-1.0	-59.05	303.90	-1.47	-60.52
C=CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075838	0	37	-1.0	-53.76	311.36	1.44	-52.32
N#CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075839	0	34	-1.0	-62.72	297.91	0.58	-62.14
O=C(CCF)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075840	0	36	-1.0	-51.94	305.04	1.05	-50.89
C[C@@H](O)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075841	0	37	-1.0	-55.48	304.36	-1.49	-56.97
C=CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075842	0	34	-1.0	-55.17	289.38	0.57	-54.60
C=CCC1(NC(=O)CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075843	0	39	-1.0	-44.80	318.95	1.77	-43.03
C=CCC1(NC(C)=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075844	0	36	-1.0	-45.03	298.38	0.98	-44.05
C=CCC1(NC(=O)CO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075845	0	37	-1.0	-48.17	311.19	-1.25	-49.42
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC)C1	REAL250005075846	0	39	-1.0	-52.90	322.38	1.85	-51.05
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(C)=O)C1	REAL250005075847	0	36	-1.0	-46.42	300.11	1.06	-45.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CO)C1	REAL250005075848	0	37	-1.0	-50.42	312.35	-0.96	-51.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=C)C1	REAL250005075849	0	37	-1.0	-46.35	312.81	1.59	-44.76
CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL250005075850	0	39	-1.0	-55.16	318.10	1.81	-53.35
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL250005075851	0	36	-1.0	-55.11	298.22	1.11	-54.00
O=C(CO)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL250005075852	0	37	-1.0	-60.63	308.57	-1.09	-61.72
CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL250005075853	0	39	-1.0	-44.44	321.31	2.08	-42.36
CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL250005075854	0	36	-1.0	-44.84	300.95	1.31	-43.53
O=C(CO)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL250005075855	0	37	-1.0	-48.11	311.84	-0.79	-48.90
C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL250005075856	0	37	-1.0	-53.85	312.08	1.81	-52.04
CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075857	0	39	-1.0	-55.98	308.60	-1.43	-57.41
CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075858	0	36	-1.0	-53.72	287.13	-2.47	-56.19
O=C(CO)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075859	0	37	-1.0	-61.34	299.52	-4.19	-65.53
CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075860	0	39	-1.0	-55.74	313.57	-1.63	-57.37
CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075861	0	36	-1.0	-57.97	291.29	-1.89	-59.86
O=C(CO)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075862	0	37	-1.0	-61.05	304.02	-4.54	-65.59
C=CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075863	0	37	-1.0	-55.77	304.58	-1.91	-57.68
CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075864	0	34	-1.0	-50.24	298.83	0.95	-49.29
CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL250005075865	0	34	-1.0	-45.87	299.75	0.95	-44.92
CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075866	0	38	-1.0	-49.22	313.94	1.29	-47.93
CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075867	0	35	-1.0	-49.47	293.35	0.48	-48.99
CC(NC(=O)C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075868	0	39	-1.0	-48.85	323.94	1.97	-46.88
COCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075869	0	39	-1.0	-52.37	326.66	0.65	-51.72
CCCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075870	0	41	-1.0	-49.04	335.44	2.05	-46.99
CC(C)C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075871	0	41	-1.0	-48.80	333.49	1.96	-46.84
CC(NC(=O)C(N)=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075872	0	36	-1.0	-47.78	309.29	-3.37	-51.15
C=CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075873	0	39	-1.0	-49.37	326.85	1.83	-47.54
CC(NC(=O)CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075874	0	36	-1.0	-53.93	304.41	-1.63	-55.56
CC(O)C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075875	0	39	-1.0	-53.36	325.08	-0.87	-54.23
CC(NC(=O)CCF)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075876	0	38	-1.0	-48.74	320.53	1.42	-47.32
CC(NC(=O)[C@@H](C)O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075877	0	39	-1.0	-50.14	324.74	-0.84	-50.98
CC(NC(=O)[C@H](C)O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075878	0	39	-1.0	-50.08	324.74	-0.85	-50.93
CC=CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075879	0	39	-1.0	-49.02	327.51	1.91	-47.11
COCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075880	0	39	-1.0	-56.70	329.39	0.86	-55.84
CCCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075881	0	41	-1.0	-47.11	337.76	2.13	-44.98
CC(C)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075882	0	41	-1.0	-46.93	335.89	1.88	-45.05
CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075883	0	38	-1.0	-53.24	316.85	1.48	-51.76
CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075884	0	35	-1.0	-47.60	294.85	0.52	-47.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC2)C1	REAL250005075885	0	39	-1.0	-53.25	326.69	2.18	-51.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(N)=O)C1	REAL250005075886	0	36	-1.0	-46.56	309.12	-3.30	-49.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CO)C1	REAL250005075887	0	36	-1.0	-58.41	307.14	-1.42	-59.83
CC(O)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075888	0	39	-1.0	-47.87	322.42	-0.96	-48.83
CC(=O)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075889	0	37	-1.0	-45.59	316.05	0.51	-45.08
CC=CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075890	0	39	-1.0	-47.53	329.66	1.98	-45.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H](C)O)C1	REAL250005075891	0	39	-1.0	-47.70	322.65	-0.93	-48.63
C=CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075892	0	39	-1.0	-53.19	329.76	2.02	-51.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC#N)C1	REAL250005075893	0	36	-1.0	-62.04	316.13	1.15	-60.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCF)C1	REAL250005075894	0	38	-1.0	-46.49	322.85	1.51	-44.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H](C)O)C1	REAL250005075895	0	39	-1.0	-53.49	322.81	-0.90	-54.39
C=CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075896	0	36	-1.0	-47.75	307.94	1.09	-46.66
CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075897	0	39	-1.0	-55.00	303.05	1.50	-53.50
CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075898	0	36	-1.0	-55.02	282.89	0.67	-54.35
O=C(CO)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075899	0	37	-1.0	-60.29	293.52	-1.56	-61.85
CCC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL250005075900	0	39	-1.0	-44.96	306.59	1.68	-43.28
CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL250005075901	0	36	-1.0	-45.38	286.28	0.89	-44.49
O=C(CO)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL250005075902	0	37	-1.0	-48.63	297.06	-1.22	-49.85
C=CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL250005075903	0	37	-1.0	-45.72	297.53	1.36	-44.36
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL250005075904	0	39	-1.0	-56.26	311.79	1.36	-54.90
CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL250005075905	0	39	-1.0	-53.99	313.37	1.61	-52.38
CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL250005075906	0	39	-1.0	-42.91	293.85	2.37	-40.54
CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL250005075907	0	39	-1.0	-48.44	297.70	2.56	-45.88
CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL250005075908	0	35	-1.0	-50.66	291.33	0.65	-50.01
CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL250005075909	0	32	-1.0	-50.83	271.08	-0.16	-50.99
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC1	REAL250005075910	0	36	-1.0	-50.48	301.85	1.42	-49.06
CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL250005075911	0	38	-1.0	-50.53	312.83	1.41	-49.12
CC(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL250005075912	0	38	-1.0	-50.37	310.86	1.31	-49.06
C=CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL250005075913	0	36	-1.0	-50.92	304.24	1.18	-49.74
O=C(CO)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL250005075914	0	33	-1.0	-55.73	281.80	-2.27	-58.00
CC=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL250005075915	0	36	-1.0	-50.48	304.61	1.16	-49.32
CCCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075916	0	38	-1.0	-48.71	316.13	1.61	-47.10
CC(C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075917	0	38	-1.0	-48.43	313.06	1.31	-47.12
CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075918	0	35	-1.0	-53.05	294.21	0.82	-52.23
CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075919	0	32	-1.0	-53.21	272.92	0.00	-53.21
O=C(N[C@H]1CN(C(=O)C2CC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL250005075920	0	36	-1.0	-48.64	304.40	1.56	-47.08
O=C(CO)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075921	0	33	-1.0	-58.34	284.72	-2.07	-60.41
CC(=O)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075922	0	34	-1.0	-47.26	294.16	-0.15	-47.41
CC=CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075923	0	36	-1.0	-53.05	306.71	1.40	-51.65
C=CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075924	0	36	-1.0	-53.07	307.10	1.37	-51.70
N#CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075925	0	33	-1.0	-62.33	293.71	0.51	-61.82
C=CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075926	0	33	-1.0	-44.09	285.02	0.53	-43.56
CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075927	0	37	-1.0	-51.77	290.94	0.19	-51.58
CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL250005075928	0	37	-1.0	-46.23	292.16	0.47	-45.76
CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075929	0	38	-1.0	-46.83	310.77	1.38	-45.45
CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075930	0	35	-1.0	-47.17	290.46	0.57	-46.60
CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075931	0	38	-1.0	-46.71	313.39	1.56	-45.15
CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075932	0	35	-1.0	-47.01	291.64	0.71	-46.30
C=CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075933	0	36	-1.0	-46.97	304.44	1.26	-45.71
CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075934	0	36	-1.0	-51.88	308.12	2.03	-49.85
CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075935	0	33	-1.0	-52.26	287.83	1.23	-51.03
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC3)C2)C1	REAL250005075936	0	37	-1.0	-53.27	319.54	2.84	-50.43
COCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075937	0	37	-1.0	-56.71	321.76	1.48	-55.23
CCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075938	0	39	-1.0	-51.67	329.62	2.80	-48.87
CC(C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075939	0	39	-1.0	-53.08	325.96	2.50	-50.58
NC(=O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075940	0	34	-1.0	-51.20	302.17	-2.69	-53.89
C=CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075941	0	37	-1.0	-53.38	321.95	2.62	-50.76
O=C(CO)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075942	0	34	-1.0	-58.30	299.51	-0.80	-59.10
CC(O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075943	0	37	-1.0	-54.26	317.34	-0.20	-54.46
O=C(CCF)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075944	0	36	-1.0	-52.29	315.52	2.23	-50.06
C[C@@H](O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075945	0	37	-1.0	-54.32	315.24	-0.22	-54.54
C[C@H](O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075946	0	37	-1.0	-56.45	315.86	-0.28	-56.73
CC=CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075947	0	37	-1.0	-53.48	322.36	2.66	-50.82
COCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075948	0	37	-1.0	-56.71	321.76	1.48	-55.23
CCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075949	0	39	-1.0	-51.67	329.62	2.80	-48.87
CC(C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075950	0	39	-1.0	-53.08	325.96	2.50	-50.58
CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075951	0	36	-1.0	-51.88	308.12	2.03	-49.85
CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075952	0	33	-1.0	-52.26	287.83	1.23	-51.03
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC3)C2)C1	REAL250005075953	0	37	-1.0	-53.27	319.54	2.84	-50.43
NC(=O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075954	0	34	-1.0	-51.20	302.17	-2.69	-53.89
O=C(CO)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075955	0	34	-1.0	-58.30	299.51	-0.80	-59.10
CC(O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075956	0	37	-1.0	-54.26	317.34	-0.20	-54.46
CC(=O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075957	0	35	-1.0	-50.37	309.10	1.12	-49.25
CC=CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075958	0	37	-1.0	-53.48	322.36	2.66	-50.82
C[C@H](O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075959	0	37	-1.0	-56.45	315.86	-0.28	-56.73
C=CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075960	0	37	-1.0	-53.38	321.95	2.62	-50.76
N#CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075961	0	34	-1.0	-62.10	308.50	1.75	-60.35
O=C(CCF)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075962	0	36	-1.0	-52.29	315.52	2.23	-50.06
C[C@@H](O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075963	0	37	-1.0	-54.32	315.24	-0.22	-54.54
C=CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005075964	0	34	-1.0	-53.60	300.63	1.78	-51.82
CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL250005075965	0	39	-1.0	-48.47	300.96	2.37	-46.10
CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005075966	0	39	-1.0	-50.44	304.43	1.58	-48.86
CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075967	0	39	-1.0	-49.71	311.60	-2.10	-51.81
CC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005075968	0	39	-1.0	-48.64	314.69	-1.82	-50.46
CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075969	0	38	-1.0	-49.30	309.17	2.40	-46.90
CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075970	0	35	-1.0	-53.23	286.24	1.65	-51.58
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC1	REAL250005075971	0	39	-1.0	-53.03	317.88	3.19	-49.84
COCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075972	0	39	-1.0	-52.56	321.90	1.78	-50.78
CCCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075973	0	41	-1.0	-49.14	330.67	3.16	-45.98
CC(C)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075974	0	41	-1.0	-49.24	323.13	2.81	-46.43
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(N)=O	REAL250005075975	0	36	-1.0	-48.95	301.98	-2.20	-51.15
C=CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075976	0	39	-1.0	-49.39	322.09	2.94	-46.45
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CO	REAL250005075977	0	36	-1.0	-53.99	299.63	-0.50	-54.49
CC(O)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075978	0	39	-1.0	-50.94	314.18	0.07	-50.87
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCF	REAL250005075979	0	38	-1.0	-48.74	315.75	2.54	-46.20
C[C@@H](O)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075980	0	39	-1.0	-50.11	315.49	0.10	-50.01
C[C@H](O)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075981	0	39	-1.0	-54.73	313.72	0.02	-54.71
CC=CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075982	0	39	-1.0	-49.72	321.24	3.02	-46.70
COCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075983	0	39	-1.0	-63.56	321.21	1.91	-61.65
CCCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075984	0	41	-1.0	-46.44	329.73	3.36	-43.08
CC(C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075985	0	41	-1.0	-51.66	329.97	3.04	-48.62
CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075986	0	38	-1.0	-46.64	308.23	2.60	-44.04
CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075987	0	35	-1.0	-59.86	286.52	1.63	-58.23
CN(CC1CCN(C(=O)C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075988	0	39	-1.0	-46.69	318.71	3.30	-43.39
CN(CC1CCN(C(=O)C(N)=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075989	0	36	-1.0	-53.70	300.79	-2.20	-55.90
CN(CC1CCN(C(=O)CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075990	0	36	-1.0	-57.52	300.27	-0.42	-57.94
CC(O)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075991	0	39	-1.0	-52.23	315.27	0.17	-52.06
CC(=O)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075992	0	37	-1.0	-54.01	307.20	1.59	-52.42
CC=CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075993	0	39	-1.0	-60.06	320.82	3.12	-56.94
C[C@H](O)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075994	0	39	-1.0	-52.33	313.77	0.23	-52.10
C=CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075995	0	39	-1.0	-51.22	322.07	3.05	-48.17
CN(CC1CCN(C(=O)CC#N)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075996	0	36	-1.0	-60.73	309.26	2.15	-58.58
CN(CC1CCN(C(=O)CCF)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075997	0	38	-1.0	-50.36	316.80	2.66	-47.70
C[C@@H](O)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075998	0	39	-1.0	-51.81	316.40	0.19	-51.62
C=CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075999	0	36	-1.0	-60.27	299.60	2.21	-58.06
CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076000	0	38	-1.0	-50.69	304.44	1.83	-48.86
CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076001	0	35	-1.0	-50.80	284.31	1.04	-49.76
C[C@]1(CNC(=O)C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076002	0	39	-1.0	-50.69	315.14	2.64	-48.05
COCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076003	0	39	-1.0	-54.27	317.75	1.13	-53.14
CCCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076004	0	41	-1.0	-51.27	326.53	2.55	-48.72
CC(C)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076005	0	41	-1.0	-51.59	324.49	2.42	-49.17
C[C@]1(CNC(=O)C(N)=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076006	0	36	-1.0	-50.34	299.97	-2.80	-53.14
C=CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076007	0	39	-1.0	-51.40	317.83	2.29	-49.11
C[C@]1(CNC(=O)CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076008	0	36	-1.0	-56.03	295.39	-1.17	-57.20
CC(O)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076009	0	39	-1.0	-50.05	315.53	-0.35	-50.40
C[C@]1(CNC(=O)CCF)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076010	0	38	-1.0	-49.66	311.06	2.00	-47.66
C[C@@H](O)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076011	0	39	-1.0	-54.48	315.76	-0.30	-54.78
C[C@H](O)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076012	0	39	-1.0	-50.83	315.84	-0.35	-51.18
CC=CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076013	0	39	-1.0	-51.90	318.44	2.35	-49.55
COCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076014	0	39	-1.0	-52.62	320.42	1.23	-51.39
CCCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076015	0	41	-1.0	-48.29	328.70	2.59	-45.70
CC(C)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076016	0	41	-1.0	-48.71	322.47	2.16	-46.55
CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076017	0	38	-1.0	-48.39	307.13	1.80	-46.59
CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076018	0	35	-1.0	-49.36	286.47	1.07	-48.29
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC1	REAL250005076019	0	39	-1.0	-48.46	317.68	2.56	-45.90
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(N)=O	REAL250005076020	0	36	-1.0	-46.85	300.06	-2.80	-49.65
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CO	REAL250005076021	0	36	-1.0	-53.91	298.40	-1.07	-54.98
CC(O)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076022	0	39	-1.0	-48.47	313.47	-0.65	-49.12
CC(=O)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076023	0	37	-1.0	-45.95	307.16	1.09	-44.86
CC=CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076024	0	39	-1.0	-48.06	320.57	2.55	-45.51
C[C@H](O)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076025	0	39	-1.0	-50.38	314.18	-0.60	-50.98
C=CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076026	0	39	-1.0	-49.71	320.67	2.46	-47.25
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC#N	REAL250005076027	0	36	-1.0	-57.31	307.39	1.59	-55.72
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCF	REAL250005076028	0	38	-1.0	-47.42	313.74	1.95	-45.47
C[C@@H](O)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076029	0	39	-1.0	-48.46	313.47	-0.65	-49.11
C=CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076030	0	36	-1.0	-48.07	298.85	1.66	-46.41
CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005076031	0	39	-1.0	-48.27	303.36	1.45	-46.82
CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005076032	0	36	-1.0	-48.25	282.77	0.64	-47.61
O=C(CO)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL250005076033	0	37	-1.0	-52.99	293.83	-1.60	-54.59
CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076034	0	39	-1.0	-49.45	306.11	1.74	-47.71
CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076035	0	36	-1.0	-52.00	292.94	1.13	-50.87
O=C(CO)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076036	0	37	-1.0	-53.90	296.59	-1.17	-55.07
C=CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076037	0	37	-1.0	-49.02	297.00	1.46	-47.56
CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076038	0	39	-1.0	-49.83	320.11	1.66	-48.17
CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076039	0	36	-1.0	-50.07	299.82	0.84	-49.23
O=C(CO)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076040	0	37	-1.0	-54.60	310.58	-1.27	-55.87
CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005076041	0	39	-1.0	-49.35	324.13	1.81	-47.54
CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005076042	0	36	-1.0	-49.63	302.47	0.95	-48.68
O=C(CO)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005076043	0	37	-1.0	-59.27	309.54	-0.90	-60.17
C=CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005076044	0	37	-1.0	-49.77	315.24	1.48	-48.29
CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL250005076045	0	39	-1.0	-55.09	309.18	1.85	-53.24
CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL250005076046	0	39	-1.0	-52.35	311.14	1.99	-50.36
CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076047	0	35	-1.0	-53.95	290.60	0.66	-53.29
COCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076048	0	39	-1.0	-53.26	324.03	-0.29	-53.55
CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076049	0	32	-1.0	-54.02	270.07	-0.18	-54.20
CC1CC(NC(=O)C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076050	0	36	-1.0	-54.25	300.96	1.36	-52.89
CC1CC(NC(=O)C2CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076051	0	39	-1.0	-54.27	317.15	1.90	-52.37
CC1CC(NC(=O)CC2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076052	0	39	-1.0	-54.58	321.37	2.17	-52.41
CC1CC(NC(=O)C(C)(C)F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076053	0	38	-1.0	-52.89	316.27	1.36	-51.53
COCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076054	0	36	-1.0	-57.46	303.03	-0.01	-57.47
CCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076055	0	38	-1.0	-53.79	311.86	1.40	-52.39
CC(C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076056	0	41	-1.0	-53.40	328.59	1.99	-51.41
CC1CC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076057	0	39	-1.0	-51.31	322.68	2.11	-49.20
CCOCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076058	0	39	-1.0	-57.59	324.94	0.95	-56.64
CC(C)=CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076059	0	39	-1.0	-52.79	320.08	1.96	-50.83
CSCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076060	0	36	-1.0	-56.72	313.37	1.06	-55.66
CCCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076061	0	41	-1.0	-53.95	333.30	2.18	-51.77
CC(C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076062	0	38	-1.0	-53.41	310.14	1.31	-52.10
CCC(C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076063	0	41	-1.0	-53.75	328.02	1.95	-51.80
COC(C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076064	0	39	-1.0	-54.07	323.29	0.72	-53.35
C=CCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076065	0	39	-1.0	-53.43	324.67	1.96	-51.47
CC=C(C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076066	0	39	-1.0	-53.87	318.68	1.92	-51.95
CC1CC(NC(=O)C2(C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076067	0	39	-1.0	-54.26	318.71	1.97	-52.29
C[C@@H]1C[C@H]1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076068	0	39	-1.0	-53.75	322.27	2.08	-51.67
CCC(F)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076069	0	38	-1.0	-53.28	318.13	1.43	-51.85
CC1CC(NC(=O)CCCF)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076070	0	38	-1.0	-56.83	318.39	1.54	-55.29
C[C@H]1C[C@@H]1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076071	0	39	-1.0	-53.94	322.60	2.08	-51.86
CC1CC(NC(=O)C(N)=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076072	0	33	-1.0	-50.09	285.94	-4.02	-54.11
CC1CC(NC(=O)C(C)(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076073	0	41	-1.0	-51.38	329.22	1.88	-49.50
C=CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076074	0	36	-1.0	-54.25	303.21	1.17	-53.08
CC1CC(NC(=O)C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076075	0	41	0.0	-72.92	325.95	1.35	-71.57
CC1CC(NC(=O)CN(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076075	1	40	-1.0	-54.16	323.86	-1.03	-55.19
C=CC(O)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076076	0	37	-1.0	-51.40	314.79	-0.94	-52.34
CC1CC(NC(=O)C2COC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076077	0	37	-1.0	-53.90	307.96	-0.84	-54.74
CO[C@H](C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076078	0	39	-1.0	-57.69	322.82	0.69	-57.00
CCC=CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076079	0	39	-1.0	-53.70	325.26	2.03	-51.67
CC1CC(NC(=O)CO)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076081	0	33	-1.0	-59.13	280.77	-2.29	-61.42
CC(O)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076082	0	36	-1.0	-53.22	301.58	-1.49	-54.71
CC1CC(NC(=O)C2CC2F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076083	0	36	-1.0	-55.55	304.63	1.48	-54.07
CC1CC(NC(=O)CCF)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076084	0	35	-1.0	-52.69	296.95	0.78	-51.91
CC1CC(NC(=O)C=CCF)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076085	0	36	-1.0	-55.56	310.12	1.36	-54.20
C#CCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076086	0	37	-1.0	-53.65	317.64	1.92	-51.73
CC1CC(NC(=O)C2CCO2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076087	0	37	-1.0	-55.86	308.24	0.11	-55.75
CC1CC(NC(=O)C(C)(C)O)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076088	0	39	-1.0	-51.70	321.08	-1.92	-53.62
CC1=CC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076089	0	37	-1.0	-53.82	315.89	2.10	-51.72
C[C@@H](O)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076090	0	36	-1.0	-55.57	301.22	-1.53	-57.10
CC1CC(NC(=O)C=CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076091	0	37	-1.0	-57.14	315.04	-2.12	-59.26
CC1CC(NC(=O)C2=CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076092	0	37	-1.0	-52.23	311.26	1.93	-50.30
CON=CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076093	0	36	-1.0	-56.67	312.81	-0.78	-57.45
CC1CC(NC(=O)C2(F)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076094	0	36	-1.0	-49.95	307.02	1.42	-48.53
CC=C(F)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076095	0	36	-1.0	-49.95	309.14	1.33	-48.62
CC(CO)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076096	0	39	-1.0	-53.09	320.48	-1.99	-55.08
C[C@H](O)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076097	0	36	-1.0	-54.28	301.22	-1.52	-55.80
C=C1CC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076098	0	37	-1.0	-51.28	313.47	1.94	-49.34
CC(CF)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076099	0	38	-1.0	-52.17	315.87	1.44	-50.73
C=C(C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076100	0	39	-1.0	-53.71	324.86	1.84	-51.87
CC=CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076101	0	36	-1.0	-53.77	303.93	1.25	-52.52
C[C@@H]1C[C@H]1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076102	0	39	-1.0	-53.75	322.27	2.08	-51.67
CC1CC(NC(=O)C2(O)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076103	0	37	-1.0	-50.13	308.10	-1.72	-51.85
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC1	REAL250005076104	0	39	-1.0	-43.87	323.12	2.27	-41.60
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(C)(C)F	REAL250005076105	0	38	-1.0	-44.19	311.11	1.11	-43.08
COCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076106	0	36	-1.0	-46.49	305.01	0.06	-46.43
CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076107	0	38	-1.0	-43.73	313.79	1.52	-42.21
CC(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076108	0	41	-1.0	-43.96	331.64	2.08	-41.88
CC1CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076109	0	39	-1.0	-43.42	318.11	2.19	-41.23
CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076110	0	39	-1.0	-46.43	326.86	1.02	-45.41
CC(C)=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076111	0	39	-1.0	-43.92	321.01	2.00	-41.92
CSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076112	0	36	-1.0	-45.53	315.35	1.20	-44.33
CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076113	0	41	-1.0	-43.65	335.28	2.31	-41.34
CC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076114	0	38	-1.0	-43.83	312.37	1.26	-42.57
CCC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076115	0	41	-1.0	-43.67	328.67	1.83	-41.84
COC(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076116	0	39	-1.0	-49.96	322.98	0.62	-49.34
C=CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076117	0	39	-1.0	-43.68	326.60	2.09	-41.59
CC(C#N)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076118	0	36	-1.0	-51.35	310.04	0.84	-50.51
CC=C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076119	0	39	-1.0	-44.66	325.46	1.85	-42.81
CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076120	0	35	-1.0	-44.59	293.35	0.74	-43.85
COCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076121	0	39	-1.0	-44.45	325.96	-0.17	-44.62
CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076122	0	32	-1.0	-47.21	273.55	-0.05	-47.26
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC1	REAL250005076123	0	36	-1.0	-44.84	304.10	1.50	-43.34
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC1	REAL250005076124	0	39	-1.0	-43.62	318.83	2.00	-41.62
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(N)=O	REAL250005076125	0	33	-1.0	-47.39	284.59	-3.99	-51.38
C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076126	0	39	-1.0	-44.74	324.22	2.14	-42.60
CCC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076127	0	38	-1.0	-49.16	320.48	1.50	-47.66
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCF	REAL250005076128	0	38	-1.0	-45.36	320.38	1.66	-43.70
C[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076129	0	39	-1.0	-43.99	323.49	2.14	-41.85
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CO	REAL250005076130	0	33	-1.0	-47.86	282.76	-2.23	-50.09
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCO1	REAL250005076131	0	37	-1.0	-47.91	311.41	0.30	-47.61
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1COC1	REAL250005076132	0	37	-1.0	-44.47	309.60	-0.77	-45.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=CCO	REAL250005076133	0	37	-1.0	-46.80	316.22	-2.06	-48.86
CCC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076134	0	39	-1.0	-44.32	326.21	2.06	-42.26
C#CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076135	0	37	-1.0	-44.37	319.57	2.03	-42.34
C=CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076136	0	37	-1.0	-48.12	314.31	-1.04	-49.16
CC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076137	0	36	-1.0	-46.86	300.84	-1.59	-48.45
CC(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076138	0	34	-1.0	-47.01	293.25	-0.10	-47.11
CC=C(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076139	0	36	-1.0	-46.55	309.30	1.31	-45.24
CC(CO)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076140	0	39	-1.0	-45.01	322.90	-2.04	-47.05
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CCC1	REAL250005076141	0	37	-1.0	-48.23	310.52	1.91	-46.32
CC(CF)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076142	0	38	-1.0	-43.50	317.83	1.36	-42.14
CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076143	0	36	-1.0	-47.28	306.47	1.34	-45.94
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=CCF	REAL250005076144	0	36	-1.0	-45.52	311.30	1.41	-44.11
C[C@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076146	0	36	-1.0	-48.25	299.65	-1.70	-49.95
CON=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076147	0	36	-1.0	-49.92	315.37	-0.72	-50.64
C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076148	0	39	-1.0	-44.74	324.22	2.14	-42.60
C=C(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076149	0	39	-1.0	-43.89	326.82	1.95	-41.94
C=CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076150	0	36	-1.0	-44.07	305.20	1.30	-42.77
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+](C)C	REAL250005076151	0	41	0.0	-62.23	329.00	1.42	-60.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN(C)C	REAL250005076151	1	40	-1.0	-44.26	325.79	-0.95	-45.21
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC#N	REAL250005076152	0	33	-1.0	-50.03	291.75	0.44	-49.59
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC1F	REAL250005076153	0	36	-1.0	-46.75	308.40	1.54	-45.21
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCF	REAL250005076154	0	35	-1.0	-43.71	298.88	0.90	-42.81
CO[C@H](C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076155	0	39	-1.0	-46.17	319.82	0.50	-45.67
C[C@@H](O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076156	0	36	-1.0	-44.69	298.28	-1.69	-46.38
C=C1CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076157	0	37	-1.0	-47.53	317.00	2.05	-45.48
CC1=CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076158	0	37	-1.0	-46.09	318.58	2.20	-43.89
C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076159	0	33	-1.0	-44.65	283.39	0.43	-44.22
CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL250005076160	0	37	-1.0	-47.57	306.01	0.34	-47.23
CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL250005076161	0	34	-1.0	-47.62	285.70	-0.47	-48.09
O=C(CO)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL250005076162	0	35	-1.0	-51.57	296.48	-2.54	-54.11
CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005076163	0	37	-1.0	-51.64	306.07	0.32	-51.32
CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005076164	0	34	-1.0	-51.95	285.76	-0.46	-52.41
O=C(CO)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005076165	0	35	-1.0	-56.27	296.48	-2.59	-58.86
C=CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005076166	0	35	-1.0	-52.27	296.87	0.03	-52.24
CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005076167	0	41	-1.0	-52.51	314.24	3.26	-49.25
CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL250005076168	0	38	-1.0	-54.33	291.40	2.33	-52.00
CC1CN(C(=O)CO)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076169	0	39	-1.0	-57.30	304.71	0.37	-56.93
CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076170	0	41	-1.0	-52.11	309.79	3.15	-48.96
CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076171	0	38	-1.0	-52.15	288.57	2.33	-49.82
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CO)C1	REAL250005076172	0	39	-1.0	-56.91	300.25	0.15	-56.76
C=CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076173	0	39	-1.0	-52.30	302.54	2.96	-49.34
CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL250005076174	0	39	-1.0	-47.01	300.46	2.00	-45.01
CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL250005076175	0	39	-1.0	-53.30	302.07	2.08	-51.22
CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076176	0	39	-1.0	-49.39	306.66	-1.61	-51.00
CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076177	0	39	-1.0	-51.57	309.76	-1.30	-52.87
CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076178	0	39	-1.0	-54.52	317.95	1.74	-52.78
CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076179	0	39	-1.0	-56.51	313.50	2.73	-53.78
CCC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076180	0	40	-1.0	-48.42	314.60	-0.54	-48.96
CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076181	0	37	-1.0	-48.60	294.31	-1.35	-49.95
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CO)C1	REAL250005076182	0	38	-1.0	-52.80	305.07	-3.45	-56.25
CCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076183	0	40	-1.0	-50.69	319.38	-1.10	-51.79
CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076184	0	37	-1.0	-50.80	299.08	-1.90	-52.70
CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076184	1	38	0.0	-79.03	294.37	-0.02	-79.05
CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076184	1	38	0.0	-79.50	293.96	-0.04	-79.54
CN1CCN(C(=O)CO)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076185	0	38	-1.0	-55.71	309.85	-4.18	-59.89
C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076186	0	38	-1.0	-50.81	308.45	-0.40	-51.21
C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076186	1	39	0.0	-74.95	314.64	1.39	-73.56
C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076186	1	39	0.0	-83.13	311.69	1.88	-81.25
CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL250005076187	0	39	-1.0	-50.67	306.51	1.68	-48.99
CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL250005076188	0	39	-1.0	-45.23	308.37	1.74	-43.49
CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL250005076189	0	39	-1.0	-47.70	316.09	-0.32	-48.02
CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL250005076190	0	39	-1.0	-47.93	319.28	-0.03	-47.96
CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL250005076191	0	39	-1.0	-53.15	313.94	2.41	-50.74
CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005076192	0	39	-1.0	-52.64	316.14	2.69	-49.95
CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076193	0	39	-1.0	-52.89	313.14	-0.03	-52.92
CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076194	0	36	-1.0	-53.08	292.83	-0.84	-53.92
O=C(CO)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076195	0	37	-1.0	-57.31	303.61	-2.95	-60.26
CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076196	0	39	-1.0	-50.30	316.48	0.13	-50.17
CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076197	0	36	-1.0	-49.68	294.64	-0.72	-50.40
O=C(CO)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076198	0	37	-1.0	-55.31	306.96	-2.79	-58.10
C=CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076199	0	37	-1.0	-49.53	307.47	-0.17	-49.70
CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL250005076200	0	39	-1.0	-55.42	301.30	0.17	-55.25
CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL250005076201	0	36	-1.0	-55.57	280.98	-0.63	-56.20
O=C(CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL250005076202	0	37	-1.0	-52.08	294.63	-2.39	-54.47
CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL250005076203	0	39	-1.0	-45.35	303.10	0.63	-44.72
CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL250005076204	0	36	-1.0	-45.80	281.84	-0.10	-45.90
O=C(CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL250005076205	0	37	-1.0	-49.09	293.56	-2.60	-51.69
C=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL250005076206	0	37	-1.0	-45.51	294.41	0.33	-45.18
CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076207	0	33	-1.0	-49.32	278.72	0.55	-48.77
COCCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076208	0	37	-1.0	-43.32	312.84	-0.34	-43.66
CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076209	0	30	-1.0	-43.32	258.53	-0.25	-43.57
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005076210	0	34	-1.0	-43.15	289.75	1.36	-41.79
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL250005076211	0	37	-1.0	-48.69	305.81	1.88	-46.81
O=C(CC1CC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076212	0	37	-1.0	-49.26	310.05	2.15	-47.11
CC(C)(F)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076213	0	36	-1.0	-46.49	305.54	1.20	-45.29
COCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076214	0	34	-1.0	-52.34	291.44	-0.08	-52.42
CCCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076215	0	36	-1.0	-42.58	300.67	1.35	-41.23
CC(C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076216	0	39	-1.0	-48.68	316.95	1.91	-46.77
CC1CC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076217	0	37	-1.0	-42.56	305.61	2.07	-40.49
CCOCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076218	0	37	-1.0	-45.12	313.75	0.91	-44.21
CC(C)=CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076219	0	37	-1.0	-48.22	307.98	1.87	-46.35
CSCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076220	0	34	-1.0	-51.54	301.78	0.98	-50.56
CCCCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076221	0	39	-1.0	-42.58	322.17	2.13	-40.45
CC(C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076222	0	36	-1.0	-48.90	298.27	1.22	-47.68
CCC(C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076223	0	39	-1.0	-42.46	316.85	1.91	-40.55
COC(C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076224	0	37	-1.0	-44.79	311.37	0.64	-44.15
C=CCCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076225	0	37	-1.0	-42.64	313.48	1.91	-40.73
CC=C(C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076226	0	37	-1.0	-49.20	307.03	1.85	-47.35
CC1(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005076227	0	37	-1.0	-43.07	307.44	1.97	-41.10
C[C@@H]1C[C@H]1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076228	0	37	-1.0	-48.78	311.03	2.05	-46.73
CCC(F)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076229	0	36	-1.0	-42.98	306.63	1.36	-41.62
O=C(CCCF)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076230	0	36	-1.0	-44.16	307.26	1.49	-42.67
C[C@H]1C[C@@H]1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076231	0	37	-1.0	-42.95	311.14	2.03	-40.92
NC(=O)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076232	0	31	-1.0	-46.37	274.07	-4.11	-50.48
CC(C)(C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076233	0	39	-1.0	-42.57	317.66	1.82	-40.75
C=CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076234	0	34	-1.0	-42.93	292.08	1.13	-41.80
C[NH+](C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076235	0	39	0.0	-72.24	314.31	1.28	-70.96
CN(C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076235	1	38	-1.0	-49.61	312.22	-1.10	-50.71
C=CC(O)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076236	0	35	-1.0	-49.46	302.73	-1.05	-50.51
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1COC1	REAL250005076237	0	35	-1.0	-44.93	296.39	-0.84	-45.77
CO[C@H](C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076238	0	37	-1.0	-51.96	311.63	0.67	-51.29
CCC=CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076239	0	37	-1.0	-49.01	313.38	1.93	-47.08
O=C(CO)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076241	0	31	-1.0	-54.06	269.19	-2.36	-56.42
CC(O)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076242	0	34	-1.0	-45.93	290.00	-1.59	-47.52
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1F	REAL250005076243	0	34	-1.0	-43.20	296.16	1.42	-41.78
O=C(CCF)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076244	0	33	-1.0	-42.61	285.76	0.73	-41.88
O=C(C=CCF)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076245	0	34	-1.0	-51.30	298.48	1.29	-50.01
C#CCCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076246	0	35	-1.0	-43.35	306.45	1.87	-41.48
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCO1	REAL250005076247	0	35	-1.0	-53.20	297.99	0.15	-53.05
CC(C)(O)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076248	0	37	-1.0	-47.00	309.20	-2.03	-49.03
CC1=CC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076249	0	35	-1.0	-49.34	304.62	2.09	-47.25
C[C@@H](O)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076250	0	34	-1.0	-49.45	289.91	-1.55	-51.00
O=C(C=CCO)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076251	0	35	-1.0	-52.68	303.40	-2.19	-54.87
COC(F)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076252	0	34	-1.0	-52.09	297.34	-0.61	-52.70
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CCC1	REAL250005076253	0	35	-1.0	-44.16	299.70	1.86	-42.30
CON=CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076254	0	34	-1.0	-51.35	301.18	-0.86	-52.21
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(F)CC1	REAL250005076255	0	34	-1.0	-46.32	295.81	1.43	-44.89
CC=C(F)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076256	0	34	-1.0	-45.94	297.26	1.25	-44.69
CC(CO)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076257	0	37	-1.0	-43.61	309.30	-2.03	-45.64
C[C@H](O)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076258	0	34	-1.0	-49.84	289.91	-1.55	-51.39
C=C1CC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076259	0	35	-1.0	-43.51	303.24	1.93	-41.58
CC(CF)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076260	0	36	-1.0	-42.06	304.51	1.37	-40.69
C=C(C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076261	0	37	-1.0	-49.02	313.25	1.75	-47.27
CC=CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076262	0	34	-1.0	-49.23	292.29	1.17	-48.06
C[C@@H]1C[C@H]1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076263	0	37	-1.0	-48.78	311.03	2.05	-46.73
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@H](O)CF	REAL250005076264	0	34	-1.0	-49.85	296.22	-1.39	-51.24
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(O)CC1	REAL250005076265	0	35	-1.0	-43.00	298.00	-1.69	-44.69
O=C(CC1CC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076266	0	37	-1.0	-50.89	312.84	2.27	-48.62
CC(C)(F)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076267	0	36	-1.0	-48.67	301.85	1.12	-47.55
COCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076268	0	34	-1.0	-53.96	294.61	0.14	-53.82
CCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076269	0	36	-1.0	-50.56	303.39	1.51	-49.05
CC(C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076270	0	39	-1.0	-50.10	320.12	2.10	-48.00
CC1CC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076271	0	37	-1.0	-49.92	307.90	2.18	-47.74
CCOCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076272	0	37	-1.0	-53.99	316.47	1.10	-52.89
CC(C)=CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076273	0	37	-1.0	-49.68	310.33	2.01	-47.67
CSCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076274	0	34	-1.0	-53.10	304.96	1.21	-51.89
CCCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076275	0	39	-1.0	-50.69	324.89	2.29	-48.40
CC(C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076276	0	36	-1.0	-50.40	301.29	1.24	-49.16
CCC(C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076277	0	39	-1.0	-50.30	319.99	1.90	-48.40
COC(C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076278	0	37	-1.0	-53.54	309.77	0.57	-52.97
C=CCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076279	0	37	-1.0	-50.54	316.20	2.07	-48.47
CC(C#N)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076280	0	34	-1.0	-58.01	296.40	0.71	-57.30
CC=C(C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076281	0	37	-1.0	-50.24	315.03	1.82	-48.42
CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076282	0	33	-1.0	-50.78	281.89	0.74	-50.04
COCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076283	0	37	-1.0	-49.85	315.57	-0.19	-50.04
CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076284	0	30	-1.0	-51.16	259.95	-0.11	-51.27
O=C(NC1C=CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005076285	0	34	-1.0	-50.46	291.50	1.46	-49.00
O=C(NC1C=CCN(C(=O)C2CCC2)C1)C1=CC(=O)[N-]O1	REAL250005076286	0	37	-1.0	-50.58	307.65	1.97	-48.61
NC(=O)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076287	0	31	-1.0	-46.40	274.73	-3.92	-50.32
CC(C)(C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076288	0	39	-1.0	-45.48	302.46	2.33	-43.15
CC1(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005076289	0	37	-1.0	-47.27	305.41	1.81	-45.46
C[C@@H]1C[C@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076290	0	37	-1.0	-50.32	312.85	2.14	-48.18
CCC(F)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076291	0	36	-1.0	-51.34	308.64	1.51	-49.83
O=C(CCCF)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076292	0	36	-1.0	-53.68	309.97	1.65	-52.03
C[C@H]1C[C@@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076293	0	37	-1.0	-50.41	313.36	2.15	-48.26
O=C(CO)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076294	0	31	-1.0	-55.80	272.32	-2.15	-57.95
O=C(NC1C=CCN(C(=O)C2CCO2)C1)C1=CC(=O)[N-]O1	REAL250005076295	0	35	-1.0	-55.17	298.13	0.17	-55.00
O=C(NC1C=CCN(C(=O)C2COC2)C1)C1=CC(=O)[N-]O1	REAL250005076296	0	35	-1.0	-50.78	298.76	-0.80	-51.58
O=C(C=CCO)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076297	0	35	-1.0	-54.25	305.45	-2.05	-56.30
CCC=CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076298	0	37	-1.0	-50.48	315.42	2.07	-48.41
C#CCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076299	0	35	-1.0	-50.27	309.18	2.03	-48.24
C=CC(O)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076300	0	35	-1.0	-50.76	300.46	-1.11	-51.87
CC(O)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076301	0	34	-1.0	-51.57	288.06	-1.65	-53.22
CC(=O)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076302	0	32	-1.0	-46.09	281.80	-0.12	-46.21
O=C(NC1C=CCN(C(=O)C2(F)CC2)C1)C1=CC(=O)[N-]O1	REAL250005076303	0	34	-1.0	-45.61	296.05	1.45	-44.16
CC=C(F)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076304	0	34	-1.0	-46.80	297.74	1.30	-45.50
CC(CO)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076305	0	37	-1.0	-49.77	307.53	-2.23	-52.00
O=C(NC1C=CCN(C(=O)C2(O)CC2)C1)C1=CC(=O)[N-]O1	REAL250005076306	0	35	-1.0	-49.03	297.49	-1.41	-50.44
O=C(NC1C=CCN(C(=O)C2=CCC2)C1)C1=CC(=O)[N-]O1	REAL250005076307	0	35	-1.0	-51.75	297.66	1.80	-49.95
CC(CF)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076308	0	36	-1.0	-48.98	307.32	1.37	-47.61
CC=CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076309	0	34	-1.0	-50.66	294.34	1.31	-49.35
O=C(C=CCF)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076310	0	34	-1.0	-52.95	300.53	1.43	-51.52
C[C@H](O)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076312	0	34	-1.0	-51.58	288.11	-1.65	-53.23
CON=CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076313	0	34	-1.0	-52.49	303.23	-0.76	-53.25
COC(F)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076314	0	34	-1.0	-53.01	298.91	-0.48	-53.49
C[C@@H]1C[C@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076315	0	37	-1.0	-50.32	312.85	2.14	-48.18
CC(C)(O)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076316	0	37	-1.0	-47.86	307.11	-1.78	-49.64
O=C(NC1C=CCN(C(=O)[C@H](O)CF)C1)C1=CC(=O)[N-]O1	REAL250005076317	0	34	-1.0	-49.74	295.75	-1.43	-51.17
C=C(C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076318	0	37	-1.0	-50.43	316.39	1.94	-48.49
C=CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076319	0	34	-1.0	-50.94	294.77	1.28	-49.66
C[NH+](C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076320	0	39	0.0	-75.58	317.48	1.42	-74.16
CN(C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076320	1	38	-1.0	-50.89	315.40	-0.98	-51.87
N#CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076321	0	31	-1.0	-60.41	281.36	0.43	-59.98
O=C(NC1C=CCN(C(=O)C2CC2F)C1)C1=CC(=O)[N-]O1	REAL250005076322	0	34	-1.0	-55.22	296.19	1.58	-53.64
O=C(CCF)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076323	0	33	-1.0	-49.47	288.47	0.89	-48.58
CO[C@H](C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076324	0	37	-1.0	-53.29	311.35	0.64	-52.65
C[C@@H](O)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076325	0	34	-1.0	-49.51	289.14	-1.58	-51.09
C=C1CC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076326	0	35	-1.0	-50.11	305.57	2.04	-48.07
CC1=CC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076327	0	35	-1.0	-50.61	307.24	2.19	-48.42
C=CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076328	0	31	-1.0	-50.87	272.61	0.43	-50.44
CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076329	0	39	-1.0	-48.61	306.11	1.59	-47.02
CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL250005076330	0	39	-1.0	-46.25	309.92	1.78	-44.47
CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076331	0	36	-1.0	-50.17	309.19	-1.25	-51.42
COC1(CNC(C)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076332	0	33	-1.0	-50.41	288.88	-2.06	-52.47
COC1(CNC(=O)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076333	0	37	-1.0	-49.02	319.44	-0.59	-49.61
COCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076334	0	37	-1.0	-53.19	321.91	-1.89	-55.08
CCCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076335	0	39	-1.0	-50.02	330.69	-0.48	-50.50
COC1(CNC(=O)C(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076336	0	39	-1.0	-49.76	328.74	-0.58	-50.34
COC1(CNC(=O)C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076337	0	34	-1.0	-48.62	304.54	-5.92	-54.54
C=CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076338	0	37	-1.0	-50.42	322.10	-0.71	-51.13
COC1(CNC(=O)CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076339	0	34	-1.0	-54.76	299.66	-4.17	-58.93
COC1(CNC(=O)C(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076340	0	37	-1.0	-51.37	319.99	-3.39	-54.76
COC1(CNC(=O)[C@@H](C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076341	0	37	-1.0	-50.17	319.71	-3.49	-53.66
COC1(CNC(=O)[C@H](C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076342	0	37	-1.0	-48.91	319.91	-3.46	-52.37
CC=CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076343	0	37	-1.0	-50.37	322.77	-0.65	-51.02
COCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL250005076344	0	37	-1.0	-54.41	322.44	-1.68	-56.09
CCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL250005076345	0	39	-1.0	-50.79	331.21	-0.30	-51.09
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)C)C1	REAL250005076346	0	39	-1.0	-46.03	331.22	-0.52	-46.55
CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL250005076347	0	36	-1.0	-51.03	309.71	-1.06	-52.09
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(C)=O)C1	REAL250005076348	0	33	-1.0	-51.31	289.42	-1.89	-53.20
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC2)C1	REAL250005076349	0	37	-1.0	-51.02	318.77	-0.58	-51.60
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(N)=O)C1	REAL250005076350	0	34	-1.0	-47.57	302.95	-5.83	-53.40
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CO)C1	REAL250005076351	0	34	-1.0	-56.18	300.20	-3.95	-60.13
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)O)C1	REAL250005076352	0	37	-1.0	-50.49	317.67	-3.52	-54.01
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)=O)C1	REAL250005076353	0	35	-1.0	-46.28	311.19	-2.16	-48.44
CC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL250005076354	0	37	-1.0	-51.16	323.17	-0.47	-51.63
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](C)O)C1	REAL250005076355	0	37	-1.0	-48.17	319.42	-3.50	-51.67
C=CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL250005076356	0	37	-1.0	-50.93	322.64	-0.53	-51.46
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC#N)C1	REAL250005076357	0	34	-1.0	-59.92	309.19	-1.38	-61.30
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H](C)O)C1	REAL250005076358	0	37	-1.0	-50.56	317.50	-3.54	-54.10
C=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL250005076359	0	34	-1.0	-51.36	301.44	-1.35	-52.71
CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL250005076360	0	39	-1.0	-56.45	308.19	2.99	-53.46
CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL250005076361	0	36	-1.0	-52.57	286.68	2.00	-50.57
O=C(CO)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL250005076362	0	37	-1.0	-60.39	297.84	-0.29	-60.68
CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005076363	0	39	-1.0	-46.87	306.35	2.55	-44.32
CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005076364	0	36	-1.0	-47.35	285.53	1.55	-45.80
O=C(CO)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005076365	0	37	-1.0	-51.31	298.81	0.10	-51.21
C=CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL250005076366	0	37	-1.0	-47.44	298.44	2.09	-45.35
CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076367	0	33	-1.0	-48.38	278.90	0.91	-47.47
COCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076368	0	37	-1.0	-48.27	312.38	-0.02	-48.29
CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076369	0	30	-1.0	-47.80	258.11	0.10	-47.70
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL250005076370	0	34	-1.0	-48.92	289.71	1.66	-47.26
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL250005076371	0	37	-1.0	-48.17	307.13	1.92	-46.25
O=C(CC1CC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076372	0	37	-1.0	-47.47	309.78	2.49	-44.98
CC(C)(F)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076373	0	36	-1.0	-50.65	306.25	1.33	-49.32
COCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076374	0	34	-1.0	-50.05	291.43	0.27	-49.78
CCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076375	0	36	-1.0	-47.40	300.20	1.68	-45.72
CC(C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076376	0	39	-1.0	-47.05	316.93	2.25	-44.80
CC1CC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076377	0	37	-1.0	-47.87	310.60	2.35	-45.52
CCOCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076378	0	37	-1.0	-49.99	313.28	1.22	-48.77
CC(C)=CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076379	0	37	-1.0	-48.32	309.53	1.94	-46.38
CSCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076380	0	34	-1.0	-49.11	301.77	1.34	-47.77
CCCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076381	0	39	-1.0	-47.40	321.70	2.46	-44.94
CC(C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076382	0	36	-1.0	-48.26	300.12	1.28	-46.98
CCC(C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076383	0	39	-1.0	-48.18	316.58	2.23	-45.95
COC(C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076384	0	37	-1.0	-49.84	312.84	0.69	-49.15
C=CCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076385	0	37	-1.0	-47.54	313.01	2.23	-45.31
CC=C(C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076386	0	37	-1.0	-48.62	307.10	2.21	-46.41
C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076387	0	37	-1.0	-48.30	310.71	2.37	-45.93
CCC(F)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076388	0	36	-1.0	-49.73	306.48	1.71	-48.02
O=C(CCCF)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076389	0	36	-1.0	-48.85	306.79	1.82	-47.03
C[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076390	0	37	-1.0	-47.64	310.72	2.40	-45.24
NC(=O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076391	0	31	-1.0	-51.42	275.74	-4.03	-55.45
C=CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076392	0	34	-1.0	-47.84	291.62	1.45	-46.39
C[NH+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076393	0	39	0.0	-62.67	314.29	1.62	-61.05
CN(C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076393	1	38	-1.0	-47.93	312.20	-0.76	-48.69
C=CC(O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076394	0	35	-1.0	-48.48	302.63	-0.68	-49.16
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1COC1	REAL250005076395	0	35	-1.0	-47.86	295.94	-0.59	-48.45
CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076396	0	37	-1.0	-51.13	313.10	0.66	-50.47
CCC=CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076397	0	37	-1.0	-48.71	315.01	2.00	-46.71
O=C(CO)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076399	0	31	-1.0	-51.29	269.17	-2.02	-53.31
CC(O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076400	0	34	-1.0	-47.40	290.90	-1.50	-48.90
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1F	REAL250005076401	0	34	-1.0	-47.48	297.41	1.51	-45.97
O=C(CCF)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076402	0	33	-1.0	-47.45	285.29	1.05	-46.40
O=C(C=CCF)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076403	0	34	-1.0	-50.51	300.10	1.36	-49.15
C#CCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076404	0	35	-1.0	-48.18	305.98	2.19	-45.99
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCO1	REAL250005076405	0	35	-1.0	-50.04	297.52	0.46	-49.58
CC1=CC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076406	0	35	-1.0	-48.79	304.20	2.38	-46.41
C[C@@H](O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076407	0	34	-1.0	-52.09	291.73	-1.56	-53.65
O=C(C=CCO)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076408	0	35	-1.0	-51.29	303.44	-1.85	-53.14
COC(F)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076409	0	34	-1.0	-50.30	298.72	-0.53	-50.83
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CCC1	REAL250005076410	0	35	-1.0	-49.49	300.82	1.92	-47.57
CON=CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076411	0	34	-1.0	-51.56	303.06	-0.81	-52.37
CC=C(F)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076412	0	34	-1.0	-49.09	297.54	1.57	-47.52
CC(CO)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076413	0	37	-1.0	-49.40	310.49	-1.97	-51.37
C[C@H](O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076414	0	34	-1.0	-48.84	290.89	-1.51	-50.35
C=C1CC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076415	0	35	-1.0	-48.03	304.19	1.99	-46.04
CC(CF)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076416	0	36	-1.0	-47.65	305.73	1.43	-46.22
C=C(C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076417	0	37	-1.0	-47.45	313.16	2.11	-45.34
CC=CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076418	0	34	-1.0	-48.65	292.57	1.51	-47.14
C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076419	0	37	-1.0	-48.30	310.71	2.37	-45.93
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@H](O)CF	REAL250005076420	0	34	-1.0	-48.04	295.80	-1.08	-49.12
O=C(CC1CC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076421	0	37	-1.0	-48.25	313.86	2.57	-45.68
CC(C)(F)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076422	0	36	-1.0	-48.50	301.84	1.83	-46.67
COCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076423	0	34	-1.0	-50.99	294.18	0.84	-50.15
CCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076424	0	36	-1.0	-48.00	304.68	1.81	-46.19
CC(C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076425	0	39	-1.0	-47.41	321.13	2.38	-45.03
CC1CC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076426	0	37	-1.0	-46.96	307.96	2.93	-44.03
CCOCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076427	0	37	-1.0	-51.00	316.03	1.80	-49.20
CC(C)=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076428	0	37	-1.0	-52.88	309.75	2.29	-50.59
CSCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076429	0	34	-1.0	-50.02	304.52	1.88	-48.14
CCCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076430	0	39	-1.0	-47.41	324.72	3.01	-44.40
CC(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076431	0	36	-1.0	-47.41	301.39	1.96	-45.45
CCC(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076432	0	39	-1.0	-47.51	320.59	2.63	-44.88
COC(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076433	0	37	-1.0	-50.53	309.65	1.34	-49.19
C=CCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076434	0	37	-1.0	-47.04	317.64	2.35	-44.69
CC(C#N)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076435	0	34	-1.0	-51.35	301.72	1.65	-49.70
CC=C(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076436	0	37	-1.0	-49.15	305.19	1.87	-47.28
CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076437	0	33	-1.0	-48.13	281.41	1.42	-46.71
COCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076438	0	37	-1.0	-47.39	317.01	0.11	-47.28
CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076439	0	30	-1.0	-52.16	260.36	-0.11	-52.27
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC1)C2)C1=CC(=O)[N-]O1	REAL250005076440	0	34	-1.0	-47.71	292.11	2.24	-45.47
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC1)C2)C1=CC(=O)[N-]O1	REAL250005076441	0	37	-1.0	-48.16	309.84	2.26	-45.90
NC(=O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076442	0	31	-1.0	-49.33	273.72	-3.71	-53.04
CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076443	0	39	-1.0	-49.24	312.72	1.70	-47.54
CC1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076444	0	37	-1.0	-47.51	310.77	2.68	-44.83
C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076445	0	37	-1.0	-48.08	312.86	2.86	-45.22
CCC(F)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076446	0	36	-1.0	-46.57	308.76	2.24	-44.33
O=C(CCCF)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076447	0	36	-1.0	-50.44	311.27	1.95	-48.49
C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076448	0	37	-1.0	-47.52	315.06	2.45	-45.07
O=C(CO)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076449	0	31	-1.0	-57.47	271.17	-1.80	-59.27
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCO1)C2)C1=CC(=O)[N-]O1	REAL250005076450	0	35	-1.0	-52.87	298.66	0.87	-52.00
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1COC1)C2)C1=CC(=O)[N-]O1	REAL250005076451	0	35	-1.0	-48.33	301.02	-0.55	-48.88
O=C(C=CCO)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076452	0	35	-1.0	-56.66	304.90	-1.77	-58.43
CCC=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076453	0	37	-1.0	-53.43	314.93	2.36	-51.07
C#CCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076454	0	35	-1.0	-47.57	310.61	2.31	-45.26
C=CC(O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076455	0	35	-1.0	-48.97	298.58	-0.12	-49.09
CC(O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076456	0	34	-1.0	-47.61	287.97	-0.85	-48.46
CC(=O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076457	0	32	-1.0	-48.23	282.85	-0.18	-48.41
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1(F)CC1)C2)C1=CC(=O)[N-]O1	REAL250005076458	0	34	-1.0	-45.65	295.58	2.09	-43.56
CC=C(F)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076459	0	34	-1.0	-50.22	297.07	1.56	-48.66
CC(CO)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076460	0	37	-1.0	-49.49	311.03	-1.40	-50.89
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1(O)CC1)C2)C1=CC(=O)[N-]O1	REAL250005076461	0	35	-1.0	-45.72	300.75	-1.10	-46.82
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CCC1)C2)C1=CC(=O)[N-]O1	REAL250005076462	0	35	-1.0	-48.74	298.92	2.55	-46.19
CC(CF)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076463	0	36	-1.0	-48.57	306.15	2.02	-46.55
CC=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076464	0	34	-1.0	-53.69	293.84	1.61	-52.08
O=C(C=CCF)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076465	0	34	-1.0	-54.74	299.98	1.70	-53.04
C[C@H](O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076467	0	34	-1.0	-48.07	287.21	-0.91	-48.98
CON=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076468	0	34	-1.0	-56.37	302.74	-0.46	-56.83
COC(F)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076469	0	34	-1.0	-50.96	299.02	0.19	-50.77
C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076470	0	37	-1.0	-48.08	312.86	2.86	-45.22
CC(C)(O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076471	0	37	-1.0	-47.14	308.39	-1.09	-48.23
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)[C@H](O)CF)C2)C1=CC(=O)[N-]O1	REAL250005076472	0	34	-1.0	-50.84	293.68	-0.79	-51.63
C=C(C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076473	0	37	-1.0	-47.68	316.45	2.69	-44.99
C=CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076474	0	34	-1.0	-47.97	294.28	1.96	-46.01
C[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076475	0	39	0.0	-66.11	318.49	1.73	-64.38
CN(C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076475	1	38	-1.0	-48.61	316.68	-0.66	-49.27
N#CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076476	0	31	-1.0	-60.84	280.16	0.77	-60.07
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC1F)C2)C1=CC(=O)[N-]O1	REAL250005076477	0	34	-1.0	-48.15	298.84	2.30	-45.85
O=C(CCF)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076478	0	33	-1.0	-47.08	288.05	1.60	-45.48
CO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076479	0	37	-1.0	-51.09	308.97	1.29	-49.80
C[C@@H](O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076480	0	34	-1.0	-52.63	287.50	-0.95	-53.58
C=C1CC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076481	0	35	-1.0	-48.05	305.81	2.80	-45.25
CC1=CC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076482	0	35	-1.0	-49.49	306.68	2.88	-46.61
C=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076483	0	31	-1.0	-52.67	271.79	0.73	-51.94
CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076484	0	39	-1.0	-61.43	312.17	1.48	-59.95
CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005076485	0	39	-1.0	-47.04	313.85	1.60	-45.44
CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076486	0	36	-1.0	-49.71	294.29	1.27	-48.44
CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076487	0	33	-1.0	-44.23	267.96	1.19	-43.04
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005076488	0	37	-1.0	-49.36	304.74	2.04	-47.32
COCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076489	0	37	-1.0	-52.80	306.98	0.63	-52.17
CCCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076490	0	39	-1.0	-49.45	315.69	2.03	-47.42
CC(C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076491	0	39	-1.0	-49.23	313.75	1.94	-47.29
NC(=O)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076492	0	34	-1.0	-48.24	289.64	-3.39	-51.63
C=CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076493	0	37	-1.0	-44.10	302.44	2.74	-41.36
O=C(CO)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076494	0	34	-1.0	-54.27	284.67	-1.65	-55.92
CC(O)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076495	0	37	-1.0	-50.14	305.12	-0.88	-51.02
O=C(CCF)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076496	0	36	-1.0	-49.14	300.84	1.40	-47.74
C[C@@H](O)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076497	0	37	-1.0	-50.81	305.12	-0.89	-51.70
C[C@H](O)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076498	0	37	-1.0	-44.94	299.17	-0.15	-45.09
CC=CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL250005076499	0	37	-1.0	-44.44	303.12	2.81	-41.63
COCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076500	0	37	-1.0	-51.40	309.99	0.82	-50.58
CCCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076501	0	39	-1.0	-48.01	318.82	2.21	-45.80
CC(C)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076502	0	39	-1.0	-48.01	316.75	1.94	-46.07
CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076503	0	36	-1.0	-43.81	292.40	2.35	-41.46
CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076504	0	33	-1.0	-44.17	270.25	1.50	-42.67
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC1)C1=CC(=O)[N-]O1	REAL250005076505	0	37	-1.0	-48.02	307.06	2.16	-45.86
NC(=O)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076506	0	34	-1.0	-46.19	289.62	-3.27	-49.46
O=C(CO)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076507	0	34	-1.0	-53.07	287.74	-1.46	-54.53
CC(O)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076508	0	37	-1.0	-45.22	297.80	-0.16	-45.38
CC(=O)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076509	0	35	-1.0	-45.54	295.82	0.51	-45.03
CC=CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076510	0	37	-1.0	-48.33	310.01	1.98	-46.35
C[C@H](O)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076511	0	37	-1.0	-48.83	303.09	-0.91	-49.74
C=CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076512	0	37	-1.0	-48.52	310.33	1.95	-46.57
N#CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076513	0	34	-1.0	-56.81	296.73	1.11	-55.70
O=C(CCF)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076514	0	36	-1.0	-47.16	303.79	1.58	-45.58
C[C@@H](O)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076515	0	37	-1.0	-52.79	303.78	-0.95	-53.74
C=CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL250005076516	0	34	-1.0	-44.20	282.14	1.84	-42.36
CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076517	0	33	-1.0	-51.59	280.77	0.63	-50.96
COCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076518	0	37	-1.0	-54.79	316.61	-0.17	-54.96
CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076519	0	30	-1.0	-51.78	260.15	-0.19	-51.97
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC1	REAL250005076520	0	34	-1.0	-56.03	293.69	1.53	-54.50
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCC1	REAL250005076521	0	37	-1.0	-51.58	307.05	1.89	-49.69
O=C(CC1CC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076522	0	37	-1.0	-55.98	313.86	2.30	-53.68
CC(C)(F)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076523	0	36	-1.0	-54.71	308.85	1.48	-53.23
COCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076524	0	34	-1.0	-59.29	295.65	0.12	-59.17
CCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076525	0	36	-1.0	-51.44	302.39	1.40	-50.04
CC(C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076526	0	39	-1.0	-55.21	321.16	2.12	-53.09
CC1CC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076527	0	37	-1.0	-51.35	312.77	2.08	-49.27
CCOCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076528	0	37	-1.0	-54.80	315.50	0.96	-53.84
CC(C)=CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076529	0	37	-1.0	-50.65	310.39	1.93	-48.72
CSCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076530	0	34	-1.0	-58.35	306.00	1.19	-57.16
CCCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076531	0	39	-1.0	-55.67	325.93	2.31	-53.36
CC(C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076532	0	36	-1.0	-55.79	302.73	1.43	-54.36
CCC(C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076533	0	39	-1.0	-51.15	318.44	1.94	-49.21
COC(C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076534	0	37	-1.0	-59.43	315.45	0.83	-58.60
C=CCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076535	0	37	-1.0	-51.39	315.24	1.97	-49.42
CC=C(C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076536	0	37	-1.0	-56.50	311.49	2.04	-54.46
C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076537	0	37	-1.0	-51.27	312.66	2.07	-49.20
CCC(F)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076538	0	36	-1.0	-55.35	310.89	1.59	-53.76
O=C(CCCF)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076539	0	36	-1.0	-58.57	311.01	1.67	-56.90
C[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076540	0	37	-1.0	-55.67	314.83	2.21	-53.46
NC(=O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076541	0	31	-1.0	-51.40	278.28	-3.91	-55.31
C=CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076542	0	34	-1.0	-51.89	293.62	1.17	-50.72
C[NH+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076543	0	39	0.0	-75.24	318.52	1.48	-73.76
CN(C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076543	1	38	-1.0	-55.98	316.44	-0.92	-56.90
C=CC(O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076544	0	35	-1.0	-55.21	304.30	-0.66	-55.87
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1COC1	REAL250005076545	0	35	-1.0	-51.73	298.12	-0.86	-52.59
CO[C@H](C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076546	0	37	-1.0	-54.82	313.27	0.66	-54.16
CCC=CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076547	0	37	-1.0	-51.38	315.37	2.00	-49.38
O=C(CO)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076549	0	31	-1.0	-61.08	273.39	-2.17	-63.25
CC(O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076550	0	34	-1.0	-52.63	291.56	-1.54	-54.17
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC1F	REAL250005076551	0	34	-1.0	-50.87	298.23	1.52	-49.35
O=C(CCF)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076552	0	33	-1.0	-54.12	289.52	0.91	-53.21
O=C(C=CCF)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076553	0	34	-1.0	-53.83	300.47	1.35	-52.48
C#CCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076554	0	35	-1.0	-55.15	310.20	2.04	-53.11
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCO1	REAL250005076555	0	35	-1.0	-61.06	301.37	0.37	-60.69
CC1=CC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076556	0	35	-1.0	-51.93	306.38	2.10	-49.83
C[C@@H](O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076557	0	34	-1.0	-51.69	291.63	-1.54	-53.23
O=C(C=CCO)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076558	0	35	-1.0	-55.20	305.38	-2.13	-57.33
COC(F)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076559	0	34	-1.0	-59.41	301.53	-0.40	-59.81
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CCC1	REAL250005076560	0	35	-1.0	-52.14	301.84	1.89	-50.25
CON=CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076561	0	34	-1.0	-58.06	305.40	-0.66	-58.72
CC=C(F)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076562	0	34	-1.0	-48.42	299.25	1.29	-47.13
CC(CO)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076563	0	37	-1.0	-50.97	310.89	-2.00	-52.97
C[C@H](O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076564	0	34	-1.0	-56.72	293.73	-1.38	-58.10
C=C1CC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076565	0	35	-1.0	-55.78	307.19	2.10	-53.68
CC(CF)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076566	0	36	-1.0	-50.04	306.24	1.43	-48.61
C=C(C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076567	0	37	-1.0	-55.41	317.46	1.95	-53.46
CC=CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076568	0	34	-1.0	-51.50	294.28	1.24	-50.26
C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076569	0	37	-1.0	-51.27	312.66	2.07	-49.20
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[C@H](O)CF	REAL250005076570	0	34	-1.0	-55.89	300.40	-1.26	-57.15
O=C(CC1CC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076571	0	37	-1.0	-53.02	317.10	2.44	-50.58
CC(C)(F)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076572	0	36	-1.0	-49.66	306.91	1.30	-48.36
COCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076573	0	34	-1.0	-58.05	298.83	0.29	-57.76
CCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076574	0	36	-1.0	-52.86	308.08	1.62	-51.24
CC(C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076575	0	39	-1.0	-48.79	322.19	2.10	-46.69
CC1CC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076576	0	37	-1.0	-52.88	317.05	2.26	-50.62
CCOCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076577	0	37	-1.0	-58.18	320.75	1.27	-56.91
CC(C)=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076578	0	37	-1.0	-53.58	314.45	2.14	-51.44
CSCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076579	0	34	-1.0	-57.06	309.17	1.33	-55.73
CCCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076580	0	39	-1.0	-52.70	329.16	2.44	-50.26
CC(C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076581	0	36	-1.0	-52.63	302.01	1.25	-51.38
CCC(C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076582	0	39	-1.0	-46.28	325.13	2.05	-44.23
COC(C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076583	0	37	-1.0	-52.72	313.03	0.67	-52.05
C=CCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076584	0	37	-1.0	-49.11	318.21	2.09	-47.02
CC(C#N)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076585	0	34	-1.0	-56.26	303.34	0.92	-55.34
CC=C(C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076586	0	37	-1.0	-47.04	307.36	1.52	-45.52
CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076587	0	33	-1.0	-49.44	283.96	0.75	-48.69
COCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076588	0	37	-1.0	-48.53	317.57	-0.17	-48.70
CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076589	0	30	-1.0	-50.93	263.66	-0.04	-50.97
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC3)[C@H]21)C1=CC(=O)[N-]O1	REAL250005076590	0	34	-1.0	-52.88	295.69	1.59	-51.29
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CCC3)[C@H]21)C1=CC(=O)[N-]O1	REAL250005076591	0	37	-1.0	-49.18	310.40	2.01	-47.17
NC(=O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076592	0	31	-1.0	-47.29	276.14	-3.91	-51.20
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076593	0	37	-1.0	-52.86	317.05	2.27	-50.59
CCC(F)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076594	0	36	-1.0	-50.21	309.91	1.50	-48.71
O=C(CCCF)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076595	0	36	-1.0	-55.60	314.24	1.80	-53.80
C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076596	0	37	-1.0	-52.81	317.65	2.28	-50.53
O=C(CO)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076597	0	31	-1.0	-59.86	276.79	-1.95	-61.81
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CCO3)[C@H]21)C1=CC(=O)[N-]O1	REAL250005076598	0	35	-1.0	-56.25	300.13	0.30	-55.95
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3COC3)[C@H]21)C1=CC(=O)[N-]O1	REAL250005076599	0	35	-1.0	-49.33	301.43	-0.74	-50.07
O=C(C=CCO)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076600	0	35	-1.0	-54.40	307.41	-2.06	-56.46
CCC=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076601	0	37	-1.0	-54.82	319.99	2.19	-52.63
C#CCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076602	0	35	-1.0	-52.25	313.42	2.16	-50.09
C=CC(O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076603	0	35	-1.0	-52.45	303.08	-0.69	-53.14
CC(O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076604	0	34	-1.0	-50.33	291.24	-1.53	-51.86
CC(=O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076605	0	32	-1.0	-46.92	282.58	-0.12	-47.04
CC=C(F)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076606	0	34	-1.0	-47.49	299.24	1.28	-46.21
CC(CO)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076607	0	37	-1.0	-52.01	312.35	-2.04	-54.05
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CCC3)[C@H]21)C1=CC(=O)[N-]O1	REAL250005076608	0	35	-1.0	-50.66	300.63	1.92	-48.74
CC(CF)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076609	0	36	-1.0	-50.88	308.00	1.38	-49.50
CC=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076610	0	34	-1.0	-54.81	298.66	1.45	-53.36
O=C(C=CCF)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076611	0	34	-1.0	-57.17	305.08	1.55	-55.62
C[C@H](O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076613	0	34	-1.0	-54.22	291.66	-1.54	-55.76
CON=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076614	0	34	-1.0	-52.45	305.20	-0.75	-53.20
COC(F)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076615	0	34	-1.0	-53.53	301.01	-0.45	-53.98
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076616	0	37	-1.0	-52.86	317.05	2.27	-50.59
O=C(N[C@@H]1[C@H]2CCN(C(=O)[C@H](O)CF)[C@H]21)C1=CC(=O)[N-]O1	REAL250005076617	0	34	-1.0	-49.24	297.45	-1.42	-50.66
C=C(C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076618	0	37	-1.0	-49.10	318.61	1.95	-47.15
C=CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076619	0	34	-1.0	-49.59	296.89	1.29	-48.30
C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076620	0	39	0.0	-71.88	319.55	1.43	-70.45
CN(C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076620	1	38	-1.0	-49.73	317.47	-0.96	-50.69
N#CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076621	0	31	-1.0	-63.53	285.79	0.60	-62.93
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC3F)[C@H]21)C1=CC(=O)[N-]O1	REAL250005076622	0	34	-1.0	-50.43	302.83	1.67	-48.76
O=C(CCF)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076623	0	33	-1.0	-48.05	290.56	0.88	-47.17
CO[C@H](C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076624	0	37	-1.0	-52.59	312.53	0.60	-51.99
C[C@@H](O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076625	0	34	-1.0	-53.94	291.26	-1.57	-55.51
C=C1CC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076626	0	35	-1.0	-49.20	306.98	2.04	-47.16
CC1=CC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076627	0	35	-1.0	-52.86	311.69	2.35	-50.51
C=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076628	0	31	-1.0	-50.92	274.57	0.44	-50.48
CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL250005076629	0	37	-1.0	-56.83	295.65	1.80	-55.03
CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL250005076630	0	37	-1.0	-45.52	296.90	1.86	-43.66
CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076631	0	39	-1.0	-49.92	311.04	2.03	-47.89
CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076632	0	36	-1.0	-47.45	293.01	1.31	-46.14
O=C(CO)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076633	0	37	-1.0	-54.19	301.51	-1.06	-55.25
CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076634	0	39	-1.0	-49.44	317.22	2.49	-46.95
CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076635	0	36	-1.0	-48.32	292.83	1.28	-47.04
O=C(CO)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076636	0	37	-1.0	-53.66	304.87	-0.83	-54.49
C=CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076637	0	37	-1.0	-49.90	307.65	2.18	-47.72
CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076638	0	35	-1.0	-44.71	292.24	0.50	-44.21
CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076639	0	32	-1.0	-45.24	273.39	-0.33	-45.57
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005076640	0	36	-1.0	-53.38	301.09	1.23	-52.15
CCCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076641	0	38	-1.0	-50.64	312.26	1.13	-49.51
CC(C)C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076642	0	38	-1.0	-49.49	311.36	1.03	-48.46
C=CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076643	0	36	-1.0	-44.89	305.15	1.04	-43.85
O=C(CO)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076644	0	33	-1.0	-48.63	282.70	-2.52	-51.15
CC=CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076645	0	36	-1.0	-44.90	305.79	1.12	-43.78
CCCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076646	0	38	-1.0	-47.99	313.31	1.37	-46.62
CC(C)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076647	0	38	-1.0	-51.82	312.18	1.15	-50.67
CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076648	0	35	-1.0	-48.19	291.81	0.60	-47.59
CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076649	0	32	-1.0	-52.12	271.99	-0.36	-52.48
O=C(NC1(CF)CCN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005076650	0	36	-1.0	-52.68	306.19	1.37	-51.31
O=C(CO)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076651	0	33	-1.0	-57.01	284.23	-2.39	-59.40
CC(=O)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076652	0	34	-1.0	-46.84	293.19	-0.39	-47.23
CC=CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076653	0	36	-1.0	-47.37	307.86	1.22	-46.15
C=CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076654	0	36	-1.0	-47.17	308.05	1.18	-45.99
N#CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076655	0	33	-1.0	-60.32	293.23	0.18	-60.14
C=CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076656	0	33	-1.0	-52.91	285.81	0.21	-52.70
CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL250005076657	0	39	-1.0	-49.19	313.24	1.73	-47.46
CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL250005076658	0	36	-1.0	-49.49	293.02	0.88	-48.61
O=C(CO)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL250005076659	0	37	-1.0	-53.56	303.72	-1.19	-54.75
CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005076660	0	39	-1.0	-47.99	317.08	1.85	-46.14
CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005076661	0	36	-1.0	-48.16	294.13	0.97	-47.19
O=C(CO)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005076662	0	37	-1.0	-52.81	307.54	-1.03	-53.84
C=CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005076663	0	37	-1.0	-51.44	311.63	1.74	-49.70
CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076664	0	39	-1.0	-48.19	321.07	-1.93	-50.12
CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076665	0	36	-1.0	-48.86	300.79	-2.75	-51.61
CC(NC(=O)CO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076666	0	37	-1.0	-52.62	311.54	-4.84	-57.46
CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076667	0	39	-1.0	-47.59	325.76	-1.74	-49.33
CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076668	0	36	-1.0	-53.75	303.72	-2.62	-56.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CO)C1	REAL250005076669	0	37	-1.0	-59.04	316.16	-4.62	-63.66
C=CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076670	0	37	-1.0	-47.92	316.61	-2.11	-50.03
CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076671	0	36	-1.0	-52.83	288.41	2.77	-50.06
CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076672	0	33	-1.0	-52.92	268.10	1.98	-50.94
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC1)C2	REAL250005076673	0	37	-1.0	-53.50	298.25	3.48	-50.02
COCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076674	0	37	-1.0	-56.59	301.13	2.17	-54.42
CCCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076675	0	39	-1.0	-52.98	309.91	3.53	-49.45
CC(C)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076676	0	39	-1.0	-52.76	306.63	3.22	-49.54
NC(=O)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076677	0	34	-1.0	-52.64	281.18	-1.98	-54.62
C=CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076678	0	37	-1.0	-52.79	301.32	3.31	-49.48
O=C(CO)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076679	0	34	-1.0	-57.45	278.88	-0.12	-57.57
CC(O)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076680	0	37	-1.0	-56.59	289.78	0.25	-56.34
O=C(CCF)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076681	0	36	-1.0	-52.27	295.00	2.91	-49.36
C[C@@H](O)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076682	0	37	-1.0	-56.03	294.48	0.37	-55.66
C[C@H](O)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076683	0	37	-1.0	-58.76	295.73	0.37	-58.39
CC=CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076684	0	37	-1.0	-59.25	300.77	3.37	-55.88
COCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076685	0	37	-1.0	-60.53	301.05	2.04	-58.49
CCCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076686	0	39	-1.0	-56.80	309.83	3.41	-53.39
CC(C)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076687	0	39	-1.0	-56.60	307.85	3.16	-53.44
CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076688	0	36	-1.0	-56.51	288.33	2.64	-53.87
CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076689	0	33	-1.0	-50.74	268.13	1.88	-48.86
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC1)C2	REAL250005076690	0	37	-1.0	-51.13	298.07	3.36	-47.77
NC(=O)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076691	0	34	-1.0	-53.21	280.33	-2.11	-55.32
O=C(CO)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076692	0	34	-1.0	-54.79	278.91	-0.20	-54.99
CC(O)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076693	0	37	-1.0	-52.77	294.59	0.42	-52.35
CC(=O)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076694	0	35	-1.0	-51.22	287.19	1.76	-49.46
CC=CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076695	0	37	-1.0	-51.30	301.28	3.25	-48.05
C[C@H](O)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076696	0	37	-1.0	-49.42	294.72	0.44	-48.98
C=CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076697	0	37	-1.0	-55.94	301.24	3.18	-52.76
N#CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076698	0	34	-1.0	-55.73	287.90	2.36	-53.37
O=C(CCF)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076699	0	36	-1.0	-54.85	294.92	2.78	-52.07
C[C@@H](O)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076700	0	37	-1.0	-53.57	294.32	0.29	-53.28
C=CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076701	0	34	-1.0	-51.15	279.07	2.30	-48.85
CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076702	0	32	-1.0	-52.17	283.83	-0.03	-52.20
CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076703	0	32	-1.0	-49.92	286.14	0.08	-49.84
CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076704	0	36	-1.0	-53.98	314.39	-3.63	-57.61
CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076705	0	33	-1.0	-54.22	293.80	-4.45	-58.67
NC(=O)C1(CNC(=O)CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076706	0	34	-1.0	-58.03	304.86	-6.55	-64.58
CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL250005076707	0	36	-1.0	-48.98	316.55	-3.37	-52.35
CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL250005076708	0	33	-1.0	-51.40	297.03	-4.28	-55.68
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CO)C1	REAL250005076709	0	34	-1.0	-63.86	306.78	-6.39	-70.25
C=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL250005076710	0	34	-1.0	-58.94	308.02	-3.79	-62.73
CCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005076711	0	39	-1.0	-46.38	310.07	1.76	-44.62
CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005076712	0	36	-1.0	-46.72	289.76	0.95	-45.77
O=C(CO)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL250005076713	0	37	-1.0	-50.45	300.80	-1.18	-51.63
CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005076714	0	39	-1.0	-51.14	316.01	1.66	-49.48
CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005076715	0	36	-1.0	-51.36	294.22	0.81	-50.55
O=C(CO)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005076716	0	37	-1.0	-56.15	306.48	-1.22	-57.37
C=CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL250005076717	0	37	-1.0	-52.21	304.15	1.59	-50.62
CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076718	0	41	-1.0	-54.45	313.01	2.20	-52.25
CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076719	0	41	-1.0	-46.91	313.38	2.28	-44.63
COCCC1(NC(C)=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076720	0	39	-1.0	-51.59	319.48	-0.53	-52.12
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(C)=O)C1	REAL250005076721	0	39	-1.0	-47.51	320.83	-0.27	-47.78
CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076722	0	38	-1.0	-47.00	303.92	2.68	-44.32
CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076723	0	35	-1.0	-47.46	283.83	1.82	-45.64
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC1	REAL250005076724	0	39	-1.0	-58.05	317.91	3.37	-54.68
COCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076725	0	39	-1.0	-61.90	318.18	1.97	-59.93
CCCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076726	0	41	-1.0	-58.03	326.02	3.28	-54.75
CC(C)C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076727	0	41	-1.0	-58.16	320.10	2.95	-55.21
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(N)=O	REAL250005076728	0	36	-1.0	-51.63	296.72	-2.09	-53.72
C=CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076729	0	39	-1.0	-58.20	317.43	3.06	-55.14
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005076730	0	36	-1.0	-63.67	297.94	-0.25	-63.92
CC(O)C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076731	0	39	-1.0	-47.86	310.42	0.24	-47.62
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCF	REAL250005076732	0	38	-1.0	-55.85	312.04	2.72	-53.13
C[C@@H](O)C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076733	0	39	-1.0	-58.49	311.82	0.27	-58.22
C[C@H](O)C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076734	0	39	-1.0	-58.27	310.95	0.24	-58.03
CC=CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076735	0	39	-1.0	-57.96	319.87	3.24	-54.72
COCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076736	0	39	-1.0	-49.02	317.31	2.08	-46.94
CCCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076737	0	41	-1.0	-46.11	326.03	3.50	-42.61
CC(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076738	0	41	-1.0	-45.98	319.43	3.05	-42.93
CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076739	0	38	-1.0	-46.30	304.53	2.73	-43.57
CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076740	0	35	-1.0	-46.50	283.23	1.85	-44.65
CN(C[C@H]1CCCN1C(=O)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005076741	0	39	-1.0	-46.06	314.69	3.45	-42.61
CN(C[C@H]1CCCN1C(=O)C(N)=O)C(=O)C1=CC(=O)[N-]O1	REAL250005076742	0	36	-1.0	-51.03	297.89	-2.05	-53.08
CN(C[C@H]1CCCN1C(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005076743	0	36	-1.0	-50.54	295.30	-0.26	-50.80
CC(O)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076744	0	39	-1.0	-57.47	311.71	0.28	-57.19
CC(=O)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076745	0	37	-1.0	-50.87	305.23	1.77	-49.10
CC=CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076746	0	39	-1.0	-46.29	318.27	3.26	-43.03
C[C@H](O)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076747	0	39	-1.0	-59.58	301.65	0.70	-58.88
C=CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076748	0	39	-1.0	-46.31	317.45	3.24	-43.07
CN(C[C@H]1CCCN1C(=O)CC#N)C(=O)C1=CC(=O)[N-]O1	REAL250005076749	0	36	-1.0	-54.26	304.29	2.35	-51.91
CN(C[C@H]1CCCN1C(=O)CCF)C(=O)C1=CC(=O)[N-]O1	REAL250005076750	0	38	-1.0	-45.34	311.12	2.87	-42.47
C[C@@H](O)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076751	0	39	-1.0	-57.93	312.35	0.20	-57.73
C=CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076752	0	36	-1.0	-57.03	296.37	2.33	-54.70
CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076753	0	36	-1.0	-48.70	314.03	-0.88	-49.58
CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076754	0	33	-1.0	-49.04	293.72	-1.69	-50.73
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005076755	0	37	-1.0	-49.87	324.54	-0.10	-49.97
COCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076756	0	37	-1.0	-51.61	326.75	-1.51	-53.12
CCCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076757	0	39	-1.0	-48.48	335.52	-0.11	-48.59
CC(C)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076758	0	39	-1.0	-48.31	333.58	-0.21	-48.52
NC(=O)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076759	0	34	-1.0	-49.90	309.37	-5.54	-55.44
C=CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076760	0	37	-1.0	-48.83	326.94	-0.34	-49.17
O=C(CO)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076761	0	34	-1.0	-53.11	304.49	-3.80	-56.91
CC(O)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076762	0	37	-1.0	-49.77	324.83	-3.01	-52.78
C[C@@H](O)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076763	0	37	-1.0	-51.03	324.83	-3.00	-54.03
C[C@H](O)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076764	0	37	-1.0	-50.60	324.82	-3.00	-53.60
CC=CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076765	0	37	-1.0	-48.85	327.60	-0.27	-49.12
COCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076766	0	37	-1.0	-55.19	328.64	-1.27	-56.46
CCCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076767	0	39	-1.0	-51.72	337.41	0.09	-51.63
CC(C)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076768	0	39	-1.0	-51.74	332.85	-0.24	-51.98
CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076769	0	36	-1.0	-51.92	315.91	-0.68	-52.60
CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076770	0	33	-1.0	-52.12	294.34	-1.55	-53.67
O=C(NCCOC1CN(C(=O)C2CC2)C1)C1=CC(=O)[N-]O1	REAL250005076771	0	37	-1.0	-52.01	326.41	0.10	-51.91
NC(=O)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076772	0	34	-1.0	-49.52	309.06	-5.42	-54.94
O=C(CO)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076773	0	34	-1.0	-56.71	306.38	-3.64	-60.35
CC(O)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076774	0	37	-1.0	-52.40	324.23	-2.95	-55.35
CC(=O)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076775	0	35	-1.0	-48.82	316.08	-1.69	-50.51
CC=CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076776	0	37	-1.0	-52.16	329.24	-0.08	-52.24
C[C@H](O)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076777	0	37	-1.0	-56.62	323.63	-2.98	-59.60
C=CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076778	0	37	-1.0	-51.94	328.83	-0.14	-52.08
N#CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076779	0	34	-1.0	-59.87	315.37	-1.08	-60.95
C[C@@H](O)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076780	0	37	-1.0	-52.92	322.10	-2.97	-55.89
C=CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076781	0	34	-1.0	-52.29	307.52	-0.96	-53.25
CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076782	0	39	-1.0	-51.24	328.17	-0.07	-51.31
CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076783	0	36	-1.0	-51.50	307.88	-0.89	-52.39
O=C(CO)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076784	0	37	-1.0	-55.97	318.64	-2.99	-58.96
CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076785	0	39	-1.0	-53.41	332.01	0.09	-53.32
CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076786	0	36	-1.0	-52.54	311.75	-0.71	-53.25
O=C(CO)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076787	0	37	-1.0	-57.15	322.53	-2.80	-59.95
C=CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076788	0	37	-1.0	-52.49	323.17	-0.23	-52.72
CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL250005076789	0	39	-1.0	-49.53	295.17	1.52	-48.01
CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005076790	0	39	-1.0	-49.74	296.24	1.60	-48.14
CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005076791	0	41	-1.0	-51.12	323.88	1.67	-49.45
CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005076792	0	38	-1.0	-51.30	303.29	0.85	-50.45
CC1(C)C(CNC(=O)CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076793	0	39	-1.0	-55.90	314.36	-1.26	-57.16
CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005076794	0	41	-1.0	-47.33	326.99	1.75	-45.58
CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005076795	0	38	-1.0	-47.66	306.50	0.99	-46.67
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CO	REAL250005076796	0	39	-1.0	-52.01	317.29	-1.19	-53.20
C=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL250005076797	0	39	-1.0	-47.61	317.73	1.48	-46.13
CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076798	0	39	-1.0	-50.40	317.00	1.76	-48.64
CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076799	0	36	-1.0	-50.57	296.40	0.96	-49.61
O=C(CO)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076800	0	37	-1.0	-55.33	307.46	-1.16	-56.49
CCC(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076801	0	39	-1.0	-47.29	319.86	1.98	-45.31
CC(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076802	0	36	-1.0	-47.65	297.94	1.14	-46.51
O=C(CO)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076803	0	37	-1.0	-51.82	310.32	-0.91	-52.73
C=CC(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005076804	0	37	-1.0	-47.73	310.63	1.69	-46.04
CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005076805	0	39	-1.0	-49.83	315.26	1.15	-48.68
CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL250005076806	0	36	-1.0	-50.06	294.96	0.36	-49.70
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CO	REAL250005076807	0	37	-1.0	-54.84	305.73	-1.74	-56.58
CCC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076808	0	39	-1.0	-51.97	316.28	1.25	-50.72
CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076809	0	36	-1.0	-50.11	295.05	0.40	-49.71
CN(CC1CN(C(=O)CO)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL250005076810	0	37	-1.0	-54.94	305.74	-0.97	-55.91
C=CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076811	0	37	-1.0	-52.06	307.00	0.95	-51.11
CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076812	0	39	-1.0	-48.82	309.91	2.84	-45.98
CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076813	0	39	-1.0	-49.05	312.73	2.94	-46.11
CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076814	0	38	-1.0	-47.64	311.51	1.24	-46.40
CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076815	0	35	-1.0	-47.99	290.91	0.42	-47.57
CC1CC(CNC(=O)C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076816	0	39	-1.0	-48.01	322.21	1.95	-46.06
COCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076817	0	39	-1.0	-50.30	324.23	0.60	-49.70
CCCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076818	0	41	-1.0	-47.42	333.01	2.00	-45.42
CC(C)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076819	0	41	-1.0	-47.30	331.06	1.90	-45.40
CC1CC(CNC(=O)C(N)=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076820	0	36	-1.0	-50.98	306.85	-3.44	-54.42
C=CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076821	0	39	-1.0	-47.92	324.42	1.78	-46.14
CC1CC(CNC(=O)CO)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076822	0	36	-1.0	-51.71	301.98	-1.68	-53.39
CC(O)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076823	0	39	-1.0	-48.87	322.30	-0.91	-49.78
CC1CC(CNC(=O)CCF)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076824	0	38	-1.0	-47.56	318.10	1.38	-46.18
C[C@@H](O)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076825	0	39	-1.0	-47.82	322.31	-0.91	-48.73
C[C@H](O)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076826	0	39	-1.0	-51.11	322.65	-0.93	-52.04
CC=CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076827	0	39	-1.0	-48.07	325.08	1.84	-46.23
COCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076828	0	39	-1.0	-49.04	326.14	0.57	-48.47
CCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076829	0	41	-1.0	-45.95	334.91	2.04	-43.91
CC(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076830	0	41	-1.0	-45.95	333.11	1.83	-44.12
CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076831	0	38	-1.0	-46.23	313.41	1.28	-44.95
CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076832	0	35	-1.0	-47.04	292.94	0.45	-46.59
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC1	REAL250005076833	0	39	-1.0	-46.62	324.56	2.05	-44.57
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(N)=O	REAL250005076834	0	36	-1.0	-48.27	305.71	-3.46	-51.73
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CO	REAL250005076835	0	36	-1.0	-50.46	303.88	-1.71	-52.17
CC(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076836	0	39	-1.0	-47.50	321.98	-0.98	-48.48
CC(=O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076837	0	37	-1.0	-46.63	313.34	0.48	-46.15
CC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076838	0	39	-1.0	-46.51	326.03	1.89	-44.62
C[C@H](O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076839	0	39	-1.0	-50.39	322.62	-1.05	-51.44
C=CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076840	0	39	-1.0	-46.38	326.33	1.82	-44.56
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC#N	REAL250005076841	0	36	-1.0	-53.20	312.88	0.95	-52.25
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCF	REAL250005076842	0	38	-1.0	-46.00	320.01	1.42	-44.58
C[C@@H](O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076843	0	39	-1.0	-47.26	319.10	-1.14	-48.40
C=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL250005076844	0	36	-1.0	-46.74	304.51	0.95	-45.79
CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076845	0	34	-1.0	-45.04	283.43	-0.13	-45.17
CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076846	0	31	-1.0	-45.27	262.83	-0.94	-46.21
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC1	REAL250005076847	0	35	-1.0	-44.94	293.95	0.64	-44.30
COCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076848	0	35	-1.0	-47.39	296.15	-0.76	-48.15
CCCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076849	0	37	-1.0	-55.06	305.71	0.70	-54.36
CC(C)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076850	0	37	-1.0	-46.31	308.51	-0.42	-46.73
NC(=O)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076851	0	32	-1.0	-46.95	284.30	-5.75	-52.70
C=CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076852	0	35	-1.0	-55.43	297.13	0.48	-54.95
O=C(CO)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076853	0	32	-1.0	-60.28	274.69	-2.99	-63.27
CC(O)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076854	0	35	-1.0	-50.41	300.09	-3.25	-53.66
O=C(CCF)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076855	0	34	-1.0	-44.13	290.02	0.01	-44.12
C[C@@H](O)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076856	0	35	-1.0	-55.19	294.50	-2.17	-57.36
C[C@H](O)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076857	0	35	-1.0	-46.19	299.82	-3.24	-49.43
CC=CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL250005076858	0	35	-1.0	-46.93	302.53	-0.47	-47.40
COCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076859	0	35	-1.0	-49.50	299.28	-0.62	-50.12
CCCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076860	0	37	-1.0	-46.87	308.06	0.75	-46.12
CC(C)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076861	0	37	-1.0	-50.13	306.87	0.63	-49.50
CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076862	0	34	-1.0	-47.14	286.55	0.00	-47.14
CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076863	0	31	-1.0	-52.81	265.09	-0.83	-53.64
O=C(NC1C2OCCN(C(=O)C3CC3)C12)C1=CC(=O)[N-]O1	REAL250005076864	0	35	-1.0	-46.83	296.59	0.72	-46.11
NC(=O)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076865	0	32	-1.0	-46.96	278.87	-4.74	-51.70
O=C(CO)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076866	0	32	-1.0	-51.09	277.03	-2.90	-53.99
CC(O)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076867	0	35	-1.0	-47.71	293.84	-2.35	-50.06
CC(=O)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076868	0	33	-1.0	-46.91	285.29	-0.93	-47.84
CC=CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076869	0	35	-1.0	-52.08	299.05	0.60	-51.48
C[C@H](O)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076870	0	35	-1.0	-49.00	293.22	-2.28	-51.28
C=CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076871	0	35	-1.0	-47.27	299.47	0.53	-46.74
N#CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076872	0	32	-1.0	-54.74	286.02	-0.33	-55.07
O=C(CCF)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076873	0	34	-1.0	-46.75	293.15	0.14	-46.61
C[C@@H](O)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076874	0	35	-1.0	-50.69	294.28	-2.35	-53.04
C=CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL250005076875	0	32	-1.0	-52.48	277.32	-0.28	-52.76
CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076876	0	38	-1.0	-50.20	305.08	1.85	-48.35
CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076877	0	35	-1.0	-51.77	284.24	0.97	-50.80
C[C@@]1(CNC(=O)C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076878	0	39	-1.0	-50.86	314.69	2.56	-48.30
COCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076879	0	39	-1.0	-53.69	316.87	1.12	-52.57
CCCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076880	0	41	-1.0	-50.75	325.65	2.52	-48.23
CC(C)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076881	0	41	-1.0	-51.43	324.04	2.45	-48.98
C[C@@]1(CNC(=O)C(N)=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076882	0	36	-1.0	-50.38	300.43	-2.81	-53.19
C=CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076883	0	39	-1.0	-52.12	317.34	2.31	-49.81
C[C@@]1(CNC(=O)CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076884	0	36	-1.0	-54.35	295.55	-1.07	-55.42
CC(O)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076885	0	39	-1.0	-54.04	315.42	-0.27	-54.31
C[C@@]1(CNC(=O)CCF)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076886	0	38	-1.0	-49.18	311.67	1.99	-47.19
C[C@@H](O)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076887	0	39	-1.0	-49.66	315.83	-0.28	-49.94
C[C@H](O)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076888	0	39	-1.0	-51.72	315.88	-0.28	-52.00
CC=CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076889	0	39	-1.0	-50.44	318.66	2.46	-47.98
COCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076890	0	39	-1.0	-51.85	320.54	1.33	-50.52
CCCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076891	0	41	-1.0	-48.43	329.36	2.78	-45.65
CC(C)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076892	0	41	-1.0	-49.54	322.52	2.23	-47.31
CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076893	0	38	-1.0	-48.51	307.81	2.03	-46.48
CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076894	0	35	-1.0	-47.87	285.97	1.15	-46.72
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC1	REAL250005076895	0	39	-1.0	-48.07	317.36	2.73	-45.34
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(N)=O	REAL250005076896	0	36	-1.0	-47.57	299.97	-2.76	-50.33
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CO	REAL250005076897	0	36	-1.0	-53.23	298.24	-0.98	-54.21
CC(O)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076898	0	39	-1.0	-49.28	313.62	-0.59	-49.87
CC(=O)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076899	0	37	-1.0	-45.94	307.03	1.02	-44.92
CC=CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076900	0	39	-1.0	-49.55	320.07	2.46	-47.09
C[C@H](O)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076901	0	39	-1.0	-49.31	313.62	-0.60	-49.91
C=CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076902	0	39	-1.0	-47.58	320.53	2.52	-45.06
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC#N	REAL250005076903	0	36	-1.0	-56.71	307.23	1.67	-55.04
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCF	REAL250005076904	0	38	-1.0	-47.56	314.38	2.13	-45.43
C[C@@H](O)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076905	0	39	-1.0	-54.27	310.17	-0.08	-54.35
C=CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005076906	0	36	-1.0	-48.03	298.89	1.69	-46.34
CCC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076907	0	39	-1.0	-49.88	306.21	0.97	-48.91
CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005076908	0	36	-1.0	-50.13	286.22	0.17	-49.96
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CO	REAL250005076909	0	37	-1.0	-54.82	297.00	-1.94	-56.76
CCC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076910	0	39	-1.0	-51.60	304.64	0.80	-50.80
CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076911	0	36	-1.0	-51.81	283.42	-0.03	-51.84
CN(CC1COCCN1C(=O)CO)C(=O)C1=CC(=O)[N-]O1	REAL250005076912	0	37	-1.0	-56.13	295.35	-2.22	-58.35
C=CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005076913	0	37	-1.0	-50.48	298.50	0.63	-49.85
CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL250005076914	0	39	-1.0	-51.68	316.47	1.61	-50.07
CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL250005076915	0	36	-1.0	-51.95	296.16	0.80	-51.15
O=C(CO)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL250005076916	0	37	-1.0	-56.50	306.94	-1.31	-57.81
CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL250005076917	0	39	-1.0	-47.96	319.46	1.76	-46.20
CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL250005076918	0	36	-1.0	-48.29	299.02	1.02	-47.27
O=C(CO)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL250005076919	0	37	-1.0	-52.71	309.93	-1.23	-53.94
C=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL250005076920	0	37	-1.0	-48.28	310.26	1.50	-46.78
CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076921	0	39	-1.0	-46.76	301.20	2.58	-44.18
CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076922	0	36	-1.0	-48.27	281.88	1.53	-46.74
O=C(CO)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076923	0	37	-1.0	-52.10	290.73	-0.44	-52.54
CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL250005076924	0	39	-1.0	-50.04	300.77	2.48	-47.56
CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL250005076925	0	36	-1.0	-50.14	279.58	1.70	-48.44
O=C(CO)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL250005076926	0	37	-1.0	-55.60	293.12	-0.66	-56.26
C=CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL250005076927	0	37	-1.0	-50.94	293.94	2.01	-48.93