NC1=CN=[NH+]C(NNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1Cl	REAL300024322455	1	30	0.0	-30.82	313.16	0.69	-30.13
CC[N@@H+]1CCCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323301	0	39	0.0	-36.88	333.41	3.86	-33.02
CC[N@H+]1CCCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323301	1	39	0.0	-37.28	334.04	3.83	-33.45
CC[NH+](CC)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323326	0	38	0.0	-37.97	331.21	3.84	-34.13
CN(C1CC[NH+](C)CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323335	0	39	0.0	-46.51	333.72	5.29	-41.22
CC(C)C[NH+]1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323355	1	42	0.0	-45.11	356.40	6.10	-39.01
C[NH+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323361	0	35	0.0	-46.51	317.01	3.25	-43.26
C[NH+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323362	0	32	0.0	-40.37	295.45	2.46	-37.91
CC[NH+](CC)CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323369	0	41	0.0	-43.96	352.66	4.61	-39.35
C[N@@H+]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323375	1	36	0.0	-51.07	312.77	5.07	-46.00
C[N@H+]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323375	1	36	0.0	-47.35	312.17	4.61	-42.74
C[NH+](C)CC(C)(C)CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323377	0	41	0.0	-46.63	339.91	4.44	-42.19
C[NH+](C)C(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300024323378	1	42	0.0	-37.71	366.44	6.02	-31.69
C[NH+](C)C(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CS1	REAL300024323388	1	39	0.0	-38.22	360.49	5.14	-33.08
C[NH+](C)C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCCC1	REAL300024323405	0	45	0.0	-42.82	350.98	5.42	-37.40
CC(C)[NH+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)C	REAL300024323434	0	44	0.0	-35.76	356.03	4.45	-31.31
C[NH+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323435	0	36	0.0	-40.86	311.76	3.50	-37.36
CC1CCCC[N@@H+]1CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323437	0	45	0.0	-42.17	375.27	5.61	-36.56
CC1CCCC[N@H+]1CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323437	1	45	0.0	-42.14	375.32	5.61	-36.53
CCC[NH+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323441	0	42	0.0	-39.88	350.45	4.89	-34.99
C[NH+](C)CC1=CC=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300024323443	0	42	0.0	-58.25	375.88	6.09	-52.16
O=S(=O)(NCC[NH+]1CCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323452	0	36	0.0	-38.27	320.74	3.60	-34.67
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300024323457	0	39	0.0	-48.52	346.59	3.79	-44.73
O=S(=O)(NCCC[NH+]1CCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323459	0	39	0.0	-44.75	341.36	4.32	-40.43
O=S(=O)(NCCC[NH+]1CCCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323462	0	42	0.0	-43.71	358.19	5.10	-38.61
C[NH+](C)CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300024323471	1	42	0.0	-39.84	365.48	6.69	-33.15
CC1CC[NH+](CCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323491	0	45	0.0	-44.14	379.04	5.71	-38.43
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH+]1CCCCC1	REAL300024323524	0	45	0.0	-36.73	361.73	5.35	-31.38
CC[NH+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323525	0	39	0.0	-39.55	329.41	4.17	-35.38
C[NH+](C)C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCCCC1	REAL300024323526	0	48	0.0	-43.33	361.25	5.73	-37.60
O=S(=O)(NC1CC[NH+](C2CC2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323555	0	40	0.0	-38.39	336.61	4.71	-33.68
CN(C)C1=CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=[NH+]1	REAL300024323563	0	38	0.0	-41.51	347.35	4.34	-37.17
CC[NH+]1CCC(N(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323586	0	42	0.0	-51.38	353.48	5.93	-45.45
CC(C)[NH+]1CCC(N(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323588	0	45	0.0	-42.22	368.87	6.45	-35.77
C[NH+](C)C(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CSC=C1	REAL300024323625	1	39	0.0	-41.55	350.29	4.72	-36.83
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH+](C2CCCC2)CC1	REAL300024323677	1	43	0.0	-39.94	360.15	6.53	-33.41
C[N@H+](CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCC1	REAL300024323683	0	48	0.0	-44.97	393.05	6.29	-38.68
C[N@@H+](CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCC1	REAL300024323683	1	48	0.0	-44.97	393.06	6.29	-38.68
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH+](CC2CCOC2)CC1	REAL300024323684	1	44	0.0	-45.55	371.43	4.72	-40.83
C[NH+]1CCN(CCCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323691	0	47	0.0	-52.98	397.01	3.46	-49.52
CN1CC[NH+](CCCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323691	1	47	0.0	-47.95	396.62	3.34	-44.61
C[NH+](C)CC1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300024323699	0	42	0.0	-54.49	375.77	6.07	-48.42
C[NH+](C)C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323705	0	39	0.0	-52.81	333.68	5.17	-47.64
O=S(=O)(NCC[NH+]1CCCCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323708	0	42	0.0	-38.21	347.11	4.54	-33.67
C[NH+](C)C(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCC1	REAL300024323713	0	48	0.0	-43.32	378.52	6.39	-36.93
CC[NH+](CC)C(C)CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323716	0	41	0.0	-38.28	340.65	4.31	-33.97
O=S(=O)(NCC1CC[N@@H+](C2CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323718	0	40	0.0	-43.06	351.58	4.91	-38.15
O=S(=O)(NCC1CC[N@H+](C2CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323718	1	40	0.0	-41.92	351.92	5.00	-36.92
CN(C)C1=CC=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=[NH+]1	REAL300024323721	1	38	0.0	-38.57	347.27	4.33	-34.24
C[NH+](C)C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300024323737	0	42	0.0	-41.52	340.47	4.57	-36.95
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH+]1CCCC1	REAL300024323741	0	39	0.0	-37.08	338.08	4.19	-32.89
CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323748	0	50	0.0	-49.60	402.71	7.87	-41.73
O=S(=O)(NCC[NH+]1CCCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323758	1	39	0.0	-38.50	336.69	4.30	-34.20
CC1CCC[N@H+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024323760	0	42	0.0	-38.18	351.20	4.95	-33.23
CC1CCC[N@@H+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024323760	1	42	0.0	-38.12	351.19	4.95	-33.17
CC1CC(C)C[NH+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024323761	0	45	0.0	-38.43	378.82	5.53	-32.90
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[N@@H+]1CCCC(C)C1	REAL300024323763	0	45	0.0	-37.05	370.02	5.77	-31.28
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[N@H+]1CCCC(C)C1	REAL300024323763	1	45	0.0	-38.77	369.03	5.50	-33.27
CC1CC[NH+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323764	0	42	0.0	-39.01	357.54	4.92	-34.09
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[N@@H+]1CCCCC1C	REAL300024323784	0	45	0.0	-36.32	359.41	5.35	-30.97
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[N@H+]1CCCCC1C	REAL300024323784	1	45	0.0	-36.21	364.12	5.36	-30.85
CC1CC[NH+](CCCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323803	0	48	0.0	-47.87	400.53	6.49	-41.38
CC1CC(C)C[NH+](CCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024323805	0	48	0.0	-43.67	400.35	6.31	-37.36
O=S(=O)(NC1CC[N@@H+]2CCCCC12)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323810	0	40	0.0	-44.01	346.03	4.81	-39.20
O=S(=O)(NC1CC[N@H+]2CCCCC12)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323810	1	40	0.0	-47.70	350.02	4.61	-43.09
C[NH+](C)CC(=O)N1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323812	0	43	0.0	-58.46	369.46	4.49	-53.97
O=S(=O)(NC1CC[N@@H+]2CCCC2C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323819	0	40	0.0	-46.93	347.94	4.55	-42.38
O=S(=O)(NC1CC[N@H+]2CCCC2C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323819	1	40	0.0	-48.06	345.65	4.76	-43.30
C[NH+](C)CC1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323825	0	42	0.0	-38.70	369.44	6.13	-32.57
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC([NH+]2CCCC2)CC1	REAL300024323833	0	43	0.0	-46.77	353.25	6.02	-40.75
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC([NH+]2CCCCC2)CC1	REAL300024323839	0	46	0.0	-45.50	370.19	6.79	-38.71
C[NH+]1CCN(C(=O)CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323846	1	43	0.0	-70.15	375.24	3.32	-66.83
CC[NH+](CC)C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323862	0	45	0.0	-49.82	363.94	6.15	-43.67
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C[NH+]1CCCC1	REAL300024323864	0	42	0.0	-43.77	357.94	5.15	-38.62
CC1=[NH+]C=CN1CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323872	1	37	0.0	-42.22	344.12	4.80	-37.42
O=S(=O)(NC1CC[NH+](CC2CC2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323875	0	43	0.0	-39.58	360.99	5.70	-33.88
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323882	0	45	0.0	-36.53	358.57	4.91	-31.62
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C[NH+]1CCCCC1	REAL300024323911	0	45	0.0	-42.98	373.68	5.86	-37.12
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH+]1CCCCC1	REAL300024323916	0	42	0.0	-37.63	349.17	5.18	-32.45
CC(C)(C)CC[NH+]1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323927	1	48	0.0	-42.95	393.26	7.05	-35.90
CC(C[NH+]1CCCC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024323936	0	39	0.0	-44.94	333.80	5.17	-39.77
C[N@@H+]1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024323940	1	36	0.0	-44.23	307.42	3.86	-40.37
C[N@H+]1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024323940	1	36	0.0	-44.49	321.96	3.88	-40.61
CC[NH+]1CCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024323967	0	42	0.0	-48.94	356.83	5.03	-43.91
C[N@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC1=CC=CC=C1	REAL300024323985	1	42	0.0	-42.14	372.19	6.06	-36.08
C[N@@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC1=CC=CC=C1	REAL300024323985	1	42	0.0	-42.09	372.17	6.06	-36.03
CC1CCC[N@@H+](C(C)(C)CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024323991	0	48	0.0	-35.96	382.50	5.92	-30.04
CC1CCC[N@H+](C(C)(C)CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024323991	1	48	0.0	-36.38	375.52	5.97	-30.41
O=S(=O)(NC1CC[N@@H+](C2CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324010	1	37	0.0	-38.38	325.86	4.35	-34.03
O=S(=O)(NC1CC[N@H+](C2CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324010	1	37	0.0	-36.72	325.29	4.25	-32.47
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH+]1CCC(C)CC1	REAL300024324024	0	45	0.0	-38.78	370.43	5.87	-32.91
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC1C[NH+]1CCCC1	REAL300024324025	0	43	0.0	-49.92	364.46	6.60	-43.32
C[N@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300024324031	0	36	0.0	-37.25	324.91	3.89	-33.36
C[N@@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300024324031	1	36	0.0	-37.12	324.78	3.89	-33.23
CCC[NH+]1CCC(N(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324037	0	45	0.0	-51.70	374.53	6.65	-45.05
CCCC[N@@H+]1CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324102	0	48	0.0	-37.88	392.26	6.67	-31.21
CCCC[N@H+]1CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324102	1	48	0.0	-38.85	392.56	6.74	-32.11
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC[N@@H+]2CCCC2C1	REAL300024324111	0	40	0.0	-42.13	328.44	5.96	-36.17
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC[N@H+]2CCCC2C1	REAL300024324111	1	40	0.0	-45.55	328.62	6.70	-38.85
CC[N@@H+]1CCCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324122	0	42	0.0	-44.19	355.57	5.00	-39.19
CC[N@H+]1CCCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324122	1	42	0.0	-44.61	356.80	5.01	-39.60
O=S(=O)(NCC1C[N@@H+]2CCCC2CO1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324156	0	41	0.0	-36.72	348.55	3.18	-33.54
O=S(=O)(NCC1C[N@H+]2CCCC2CO1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324156	1	41	0.0	-36.40	348.51	3.20	-33.20
CC(C)[N@H+](C)C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324162	0	45	0.0	-43.58	363.00	6.11	-37.47
CC(C)[N@@H+](C)C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324162	1	45	0.0	-44.21	363.00	6.12	-38.09
C[NH+]1CCC(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324168	0	42	0.0	-49.05	358.76	4.98	-44.07
CCCC[NH+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324183	0	45	0.0	-40.31	371.95	5.67	-34.64
CC[N@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300024324206	0	39	0.0	-37.63	344.36	4.55	-33.08
CC[N@@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300024324206	1	39	0.0	-36.28	340.07	4.26	-32.02
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC1C[NH+]1CCCCC1	REAL300024324265	0	46	0.0	-48.91	380.12	7.34	-41.57
C[NH+](C)C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324269	0	36	0.0	-52.24	322.58	4.41	-47.83
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC([NH+]2CCCC2)C1	REAL300024324278	0	40	0.0	-44.84	350.34	5.58	-39.26
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[N@H+](C)C1CC1	REAL300024324289	0	39	0.0	-36.86	338.35	4.69	-32.17
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[N@@H+](C)C1CC1	REAL300024324289	1	39	0.0	-37.85	336.70	4.44	-33.41
CN(C)CCN(CC[NH+](C)C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324307	1	46	0.0	-51.97	391.32	4.24	-47.73
CN(CC[NH+]1CCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324309	0	39	0.0	-47.75	345.19	5.52	-42.23
CC(C)[N@H+](C)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324311	0	48	0.0	-54.97	390.31	7.29	-47.68
CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324311	1	48	0.0	-51.01	388.75	7.29	-43.72
CCC[NH+](CCC)CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324315	0	47	0.0	-44.56	395.70	6.11	-38.45
C[NH+](C)C1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324327	0	39	0.0	-51.74	333.97	5.13	-46.61
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[N@@H+]2CCCC2C1	REAL300024324328	0	37	0.0	-39.91	321.89	5.05	-34.86
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[N@H+]2CCCC2C1	REAL300024324328	1	37	0.0	-43.28	322.77	5.02	-38.26
C[NH+](C)C1CCCCC1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324331	0	42	0.0	-32.69	352.28	4.61	-28.08
COCC[NH+]1CCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324346	0	46	0.0	-49.79	389.43	4.21	-45.58
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC([NH+]2CCCCC2)C1	REAL300024324348	0	46	0.0	-45.19	373.84	7.01	-38.18
C=CC[NH+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324356	1	40	0.0	-40.24	343.50	4.72	-35.52
CC[N@@H+]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324363	1	39	0.0	-44.80	331.71	5.67	-39.13
CC[N@H+]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324363	1	39	0.0	-43.69	329.90	5.32	-38.37
CCC(C)[N@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324364	0	41	0.0	-36.98	344.47	4.25	-32.73
CCC(C)[N@@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324364	1	41	0.0	-36.92	345.09	4.25	-32.67
CN(CC1CC[NH+](C)CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324369	0	42	0.0	-54.71	357.30	5.96	-48.75
CC[NH+](CC)CCN(CCOC)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324380	0	48	0.0	-41.36	399.86	6.69	-34.67
CC(CN1CC[NH+](C)CC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324387	0	44	0.0	-45.72	366.86	2.72	-43.00
CC1CCCC(C)[NH+]1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324412	0	45	0.0	-35.00	363.80	5.02	-29.98
C[N@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCC1	REAL300024324419	0	42	0.0	-37.61	355.55	5.04	-32.57
C[N@@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCC1	REAL300024324419	1	42	0.0	-37.71	355.53	5.04	-32.67
CCCC[N@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324428	0	41	0.0	-39.69	356.21	4.66	-35.03
CCCC[N@@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324428	1	41	0.0	-39.60	356.19	4.65	-34.95
CCC1CCCC[N@@H+]1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324443	0	45	0.0	-35.84	371.56	5.44	-30.40
CCC1CCCC[N@H+]1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324443	1	45	0.0	-35.83	371.96	5.45	-30.38
C[N@@H+]1CCCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324446	0	39	0.0	-47.14	331.52	3.90	-43.24
C[N@H+]1CCCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324446	1	39	0.0	-46.70	330.35	3.91	-42.79
O=S(=O)(NC1CC[N@H+](CC2CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324455	0	40	0.0	-46.27	361.11	5.05	-41.22
O=S(=O)(NC1CC[N@@H+](CC2CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324455	1	40	0.0	-39.65	345.01	5.01	-34.64
CC[N@@H+]1CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324471	0	42	0.0	-38.13	344.37	4.51	-33.62
CC[N@H+]1CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324471	1	42	0.0	-38.99	345.73	4.51	-34.48
C[NH+](C)CCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)(C)C	REAL300024324474	0	47	0.0	-42.36	379.12	5.96	-36.40
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CN1CC[NH+](C)CC1	REAL300024324503	0	47	0.0	-53.25	392.80	3.67	-49.58
O=S(=O)(NCCCCC[NH+]1CCCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324534	0	48	0.0	-50.07	401.19	6.66	-43.41
C[NH+](C)C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300024324561	0	43	0.0	-43.63	345.97	2.76	-40.87
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC([NH+]2CCCCC2)C1	REAL300024324569	0	43	0.0	-44.51	365.12	6.21	-38.30
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C[NH+]2CCCCC2)C1	REAL300024324578	0	46	0.0	-53.33	383.83	7.07	-46.26
CN(CC1CCC[N@H+](C)C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324599	0	42	0.0	-56.40	345.87	6.00	-50.40
CN(CC1CCC[N@@H+](C)C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324599	1	42	0.0	-45.39	357.89	5.93	-39.46
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC([NH+]2CCCC2)CC1	REAL300024324612	0	46	0.0	-47.27	371.54	7.01	-40.26
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324628	0	47	0.0	-52.33	396.93	4.60	-47.73
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C[NH+]2CCCC2)C1	REAL300024324657	0	43	0.0	-54.39	368.08	6.26	-48.13
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH+](C)CC1	REAL300024324663	0	44	0.0	-49.88	367.28	2.48	-47.40
C[N@H+](CCCO)C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324687	0	46	0.0	-48.94	382.68	3.24	-45.70
C[N@@H+](CCCO)C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324687	1	46	0.0	-49.02	382.69	3.24	-45.78
CC1CC(N(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@@H+]1C	REAL300024324711	0	42	0.0	-48.48	339.77	5.78	-42.70
CC1CC(N(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@H+]1C	REAL300024324711	1	42	0.0	-43.97	351.24	5.76	-38.21
C[NH+]1CCC(O)(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324714	0	40	0.0	-49.84	344.89	1.44	-48.40
CC1C[N@H+](C)CCC1N(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324729	0	42	0.0	-56.79	350.70	5.61	-51.18
CC1C[N@@H+](C)CCC1N(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324729	1	42	0.0	-47.93	346.87	5.63	-42.30
CC1=[NH+]C=CN1CCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324737	1	40	0.0	-45.30	365.56	5.56	-39.74
C[NH+](C)CCOC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324738	0	46	0.0	-48.50	390.16	5.59	-42.91
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC[N@@H+](CCO)CC1	REAL300024324777	1	40	0.0	-46.75	341.89	2.42	-44.33
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC[N@H+](CCO)CC1	REAL300024324777	1	40	0.0	-47.91	340.75	2.02	-45.89
O=S(=O)(NCC(O)C[NH+]1CCCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324782	0	43	0.0	-42.34	368.19	1.90	-40.44
O=S(=O)(NCCC[NH+]1CCC(O)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324783	0	43	0.0	-46.83	369.73	1.78	-45.05
CC[N@@H+]1CCC(N(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1C	REAL300024324799	0	45	0.0	-43.96	357.48	6.39	-37.57
CC[N@H+]1CCC(N(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1C	REAL300024324799	1	45	0.0	-43.76	361.90	6.07	-37.69
O=S(=O)(NCCCC[N@H+]1CCCC1CO)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324834	0	46	0.0	-47.86	388.55	2.13	-45.73
O=S(=O)(NCCCC[N@@H+]1CCCC1CO)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324834	1	46	0.0	-46.55	392.08	2.68	-43.87
CC1CC[N@H+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324865	0	39	0.0	-37.99	341.32	4.21	-33.78
CC1CC[N@@H+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324865	1	39	0.0	-38.17	341.25	4.25	-33.92
CN(CCC1CCCC[N@@H+]1C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324895	0	45	0.0	-50.81	378.38	6.69	-44.12
CN(CCC1CCCC[N@H+]1C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324895	1	45	0.0	-43.40	375.80	6.73	-36.67
CC[NH+](CC)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324907	0	45	0.0	-49.71	374.16	6.35	-43.36
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC([NH+]2CC=CC2)C1	REAL300024324909	1	38	0.0	-50.46	340.57	5.44	-45.02
CCC[N@H+](C)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324914	0	45	0.0	-53.78	383.20	6.58	-47.20
CCC[N@@H+](C)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324914	1	45	0.0	-54.77	381.36	6.60	-48.17
C[NH+](C)C1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324937	0	42	0.0	-49.79	341.26	4.87	-44.92
CC(C)[N@@H+]1C2CCC1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300024324950	0	46	0.0	-40.12	367.02	6.38	-33.74
CC(C)[N@H+]1C2CCC1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300024324950	1	46	0.0	-42.25	351.21	5.75	-36.50
O=S(=O)(NC1CC[N@H+](CC2CCCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324965	0	46	0.0	-48.69	392.64	6.15	-42.54
O=S(=O)(NC1CC[N@@H+](CC2CCCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324965	1	46	0.0	-48.08	390.59	6.10	-41.98
COCCC[N@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324971	0	42	0.0	-42.28	368.38	2.95	-39.33
COCCC[N@@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324971	1	42	0.0	-42.29	368.41	2.95	-39.34
CN(C1CCC[N@H+](C)C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324976	1	39	0.0	-47.30	323.57	5.85	-41.45
CN(C1CCC[N@@H+](C)C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024324976	1	39	0.0	-35.69	317.06	5.10	-30.59
CC1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@@H+]1C	REAL300024324983	0	39	0.0	-52.55	336.10	3.70	-48.85
CC1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@H+]1C	REAL300024324983	1	39	0.0	-51.91	335.89	3.63	-48.28
CC[N@H+](C)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324984	0	42	0.0	-53.30	361.70	5.83	-47.47
CC[N@@H+](C)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324984	1	42	0.0	-54.41	359.86	5.86	-48.55
CC[NH+](CC)C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024324990	0	42	0.0	-44.21	353.50	5.42	-38.79
C[N@@H+]1C2CCC1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300024324994	0	40	0.0	-42.57	332.67	5.23	-37.34
C[N@H+]1C2CCC1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300024324994	1	40	0.0	-45.82	330.35	5.25	-40.57
COC1CC[NH+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024324998	1	43	0.0	-41.59	369.41	3.31	-38.28
CCC[N@H+](CC)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325015	0	41	0.0	-37.89	352.66	4.57	-33.32
CCC[N@@H+](CC)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325015	1	41	0.0	-38.60	352.68	4.60	-34.00
CCC(C[NH+]1CCCC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325021	0	42	0.0	-34.15	343.13	5.80	-28.35
C[NH+](C)C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCSC1	REAL300024325028	0	40	0.0	-38.92	340.45	4.50	-34.42
CN(CC[NH+](C)C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325029	0	35	0.0	-39.91	317.02	4.38	-35.53
C[NH+](C)C1CCN(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024325062	0	47	0.0	-51.31	388.22	3.13	-48.18
C[N@H+](CC1CC1)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024325067	0	46	0.0	-57.71	393.30	7.45	-50.26
C[N@@H+](CC1CC1)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024325067	1	46	0.0	-53.80	394.98	7.39	-46.41
CC(C)[NH+](CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)C	REAL300024325068	0	47	0.0	-42.02	378.24	5.25	-36.77
O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325069	0	46	0.0	-39.97	367.26	5.76	-34.21
C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325070	0	48	0.0	-40.09	391.15	7.41	-32.68
CC1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[N@@H+]1C1CC1	REAL300024325146	0	40	0.0	-38.32	341.82	4.52	-33.80
CC1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[N@H+]1C1CC1	REAL300024325146	1	40	0.0	-42.41	351.70	4.39	-38.02
CC1C[N@@H+](C2CC2)CC1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325147	0	40	0.0	-33.45	342.68	5.21	-28.24
CC1C[N@H+](C2CC2)CC1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325147	1	40	0.0	-33.79	342.74	5.00	-28.79
CN(CCCC[NH+](C)C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325154	0	41	0.0	-48.52	360.02	5.93	-42.59
CC(C[NH+]1CC(C)CC(C)C1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325157	0	48	0.0	-36.96	390.44	6.44	-30.52
C[NH+](C)CCN(CC1=CC=CO1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325184	0	42	0.0	-51.52	379.44	6.44	-45.08
C[N@@H+]1CCCC2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCC21	REAL300024325187	0	43	0.0	-46.28	348.20	5.76	-40.52
C[N@H+]1CCCC2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCC21	REAL300024325187	1	43	0.0	-51.96	349.78	5.71	-46.25
C[NH+](C)CCN(C1CCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325212	0	45	0.0	-53.81	374.50	6.89	-46.92
CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)(C)C[NH+](C)C	REAL300024325241	0	44	0.0	-55.64	362.39	4.91	-50.73
C[N@@H+]1CCC2C(CCCN2S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024325249	0	43	0.0	-54.54	343.54	5.71	-48.83
C[N@H+]1CCC2C(CCCN2S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024325249	1	43	0.0	-57.94	346.72	5.76	-52.18
CC[NH+](CC)C(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC(C)C	REAL300024325279	0	50	0.0	-40.86	393.50	6.14	-34.72
CCOC(CC[NH+](C)C)CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325306	0	45	0.0	-50.05	387.98	3.90	-46.15
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024325343	0	46	0.0	-46.73	379.19	2.57	-44.16
C[NH+](C)CCCC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024325359	0	48	0.0	-57.11	399.04	7.47	-49.64
C[NH+](C)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024325368	0	42	0.0	-53.48	354.34	6.13	-47.35
CSC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1[NH+](C)C	REAL300024325396	0	40	0.0	-37.82	341.03	5.49	-32.33
C[NH+]1CCC2(CCCN2S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024325426	0	43	0.0	-44.17	338.69	6.33	-37.84
CC1=[NH+]C=CN1CCCN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325451	1	40	0.0	-43.22	366.27	6.70	-36.52
CN1C=C[NH+]=C1N1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024325475	1	40	0.0	-39.38	352.17	5.84	-33.54
CC(C)C[N@@H+]1CCCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024325479	0	48	0.0	-38.84	388.76	6.38	-32.46
CC(C)C[N@H+]1CCCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024325479	1	48	0.0	-44.04	395.76	6.44	-37.60
CC(C)N(CC[NH+](C)C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325490	0	41	0.0	-39.55	350.16	5.56	-33.99
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH+](C2CCCCC2)CC1	REAL300024325510	1	46	0.0	-41.42	371.33	6.75	-34.67
C[NH+](C)CC(C)(O)CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325523	0	39	0.0	-36.71	337.09	1.25	-35.46
C[NH+](C)C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024325596	1	33	0.0	-50.67	312.73	3.48	-47.19
C[N@H+]1CC=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024325635	0	37	0.0	-52.83	332.12	4.23	-48.60
C[N@@H+]1CC=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024325635	1	37	0.0	-53.26	332.12	4.22	-49.04
C[NH+](C)CCC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024325670	0	45	0.0	-57.62	377.54	6.68	-50.94
CC(C1CC[NH+](C)CC1)N(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325694	0	45	0.0	-48.63	360.40	6.18	-42.45
C[NH+]1CCC(C2CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)CC1	REAL300024325775	0	46	0.0	-56.11	387.57	6.85	-49.26
C[N@@H+]1CCC(O)(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024325794	0	37	0.0	-44.17	329.60	0.45	-43.72
C[N@H+]1CCC(O)(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024325794	1	37	0.0	-44.98	330.24	0.41	-44.57
CC[NH+](CC)CCOCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325829	0	45	0.0	-45.12	380.98	3.77	-41.35
CCCN(CC[NH+](CC)CC)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325837	0	47	0.0	-48.42	393.15	7.40	-41.02
C[NH+](C)CC1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300024325841	0	45	0.0	-36.93	364.36	5.59	-31.34
C[NH+](C)CCOCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325878	0	39	0.0	-47.10	349.59	2.72	-44.38
C[NH+](C)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024325886	0	39	0.0	-57.22	342.78	5.21	-52.01
CC(CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH+]1CCCCC1	REAL300024325898	0	45	0.0	-35.99	368.73	5.45	-30.54
CC1C[N@H+](CCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCO1	REAL300024325922	0	46	0.0	-45.71	384.40	4.28	-41.43
CC1C[N@@H+](CCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCO1	REAL300024325922	1	46	0.0	-44.05	384.14	4.19	-39.86
C[NH+](C)C1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024325951	0	42	0.0	-52.18	346.77	5.68	-46.50
CCN(CCC[NH+](CC)CC)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325969	0	47	0.0	-51.69	389.00	7.13	-44.56
CCN(CCC[NH+]1CCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024325970	0	45	0.0	-43.44	379.87	6.93	-36.51
C[NH+]1CCN(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024326003	0	41	0.0	-49.04	353.98	1.90	-47.14
CCC(CC)C(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH+](C)C	REAL300024326004	0	47	0.0	-43.32	374.58	5.86	-37.46
CC[NH+]1CCN(C(C)CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024326005	0	47	0.0	-48.66	385.02	3.16	-45.50
CC[NH+]1CCN(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024326006	0	44	0.0	-47.76	371.21	2.54	-45.22
CC(C[NH+]1CCCCC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326007	0	42	0.0	-46.97	358.37	5.13	-41.84
CC(C)CC(C[NH+](C)C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326008	0	44	0.0	-29.59	352.10	6.12	-23.47
CC[NH+](CC)CC(C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326009	0	41	0.0	-36.49	332.58	4.70	-31.79
CC(C[N@@H+]1CCCC(C)C1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326010	0	45	0.0	-37.19	362.24	5.79	-31.40
CC(C[N@H+]1CCCC(C)C1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326010	1	45	0.0	-37.56	369.37	5.83	-31.73
C[N@@H+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024326011	1	33	0.0	-42.25	295.15	2.89	-39.36
C[N@H+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024326011	1	33	0.0	-47.45	309.29	2.78	-44.67
COCC[N@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326014	1	39	0.0	-39.96	345.77	2.34	-37.62
COCC[N@@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326014	1	39	0.0	-40.32	345.79	2.32	-38.00
CC[N@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)C	REAL300024326015	0	41	0.0	-36.14	344.10	4.08	-32.06
CC[N@@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)C	REAL300024326015	1	41	0.0	-37.97	338.52	3.98	-33.99
CC(C)[N@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326016	0	38	0.0	-37.35	329.87	3.66	-33.69
CC(C)[N@@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326016	1	38	0.0	-37.49	329.92	3.68	-33.81
COCC[N@@H+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024326017	1	40	0.0	-41.71	344.77	2.91	-38.80
COCC[N@H+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024326017	1	40	0.0	-40.83	348.31	2.75	-38.08
CC1CCC[N@@H+]1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326020	0	39	0.0	-36.41	334.66	3.91	-32.50
CC1CCC[N@H+]1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326020	1	39	0.0	-36.34	334.62	3.90	-32.44
C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326022	0	39	0.0	-40.07	328.07	4.50	-35.57
CCN(CCC[NH+](C)C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326030	0	41	0.0	-45.83	355.55	5.87	-39.96
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH+]2CCC1CC2	REAL300024326031	1	37	0.0	-43.98	307.84	4.94	-39.04
C[NH+](C)C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1	REAL300024326067	0	39	0.0	-42.54	329.66	4.40	-38.14
CN(CC[N@H+](C)C1CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326078	0	39	0.0	-47.57	349.15	5.75	-41.82
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326078	1	39	0.0	-36.14	347.07	5.77	-30.37
CN(CC1([NH+](C)C)CCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326102	0	42	0.0	-41.92	339.65	6.06	-35.86
CC(CCN1CC[NH+](C)CC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326123	0	47	0.0	-50.47	401.36	3.43	-47.04
CC(C)[N@@H+]1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024326133	0	42	0.0	-40.30	341.68	5.03	-35.27
CC(C)[N@H+]1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024326133	1	42	0.0	-45.27	353.74	4.99	-40.28
CC[N@H+](CCO)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326200	0	39	0.0	-41.17	341.55	0.59	-40.58
CC[N@@H+](CCO)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326200	1	39	0.0	-39.43	341.02	0.59	-38.84
CC1=[NH+]C=CN1CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326238	1	37	0.0	-42.22	344.12	4.80	-37.42
CCC1C[N@H+](C)CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326251	0	42	0.0	-36.40	335.29	6.55	-29.85
CCC1C[N@@H+](C)CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326251	1	42	0.0	-32.83	336.94	6.21	-26.62
C[N@@H+]1CCN(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1(C)C	REAL300024326262	0	47	0.0	-46.12	382.06	3.09	-43.03
C[N@H+]1CCN(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1(C)C	REAL300024326262	1	47	0.0	-43.84	380.91	2.94	-40.90
CN(CCC[NH+]1CCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326295	0	42	0.0	-42.73	363.51	6.21	-36.52
C[NH+]1CCC2(CCCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)CC1	REAL300024326308	0	46	0.0	-48.32	364.18	6.60	-41.72
CC1(C)CCC[N@H+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024326318	0	45	0.0	-37.50	371.38	5.43	-32.07
CC1(C)CCC[N@@H+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024326318	1	45	0.0	-37.48	371.33	5.43	-32.05
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@@H]2C1	REAL300024326392	0	37	0.0	-55.96	324.25	4.52	-51.44
C[N@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@@H]2C1	REAL300024326392	1	37	0.0	-55.32	325.12	4.58	-50.74
O=S(=O)(NCC1CC[NH+](C2CC2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326394	0	43	0.0	-47.48	362.87	5.57	-41.91
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C[NH+]1CCCC1	REAL300024326435	0	45	0.0	-44.46	364.77	5.52	-38.94
CC[NH+](CC)[C@H](C)CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326468	0	41	0.0	-37.39	337.14	4.62	-32.77
C[N@@H+]1CCCC(C)(C)C1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326495	0	45	0.0	-38.61	357.61	5.58	-33.03
C[N@H+]1CCCC(C)(C)C1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326495	1	45	0.0	-40.28	355.67	5.93	-34.35
O=S(=O)(NCC1CCCC[N@@H+]1C1CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326515	1	43	0.0	-38.26	357.68	5.28	-32.98
O=S(=O)(NCC1CCCC[N@H+]1C1CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326515	1	43	0.0	-36.99	356.88	5.74	-31.25
CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326519	0	41	0.0	-36.82	337.87	4.71	-32.11
CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326519	1	41	0.0	-35.89	340.83	4.49	-31.40
CO[C@H]1C[C@@H](CN(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[N@H+](C)C1	REAL300024326520	1	43	0.0	-47.46	372.17	4.33	-43.13
CO[C@H]1C[C@@H](CN(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[N@@H+](C)C1	REAL300024326520	1	43	0.0	-47.68	368.60	4.03	-43.65
CC1C([NH+]2CCCC2)CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326526	0	43	0.0	-50.73	357.32	6.47	-44.26
C[C@@H](C[NH+](C)C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326527	0	35	0.0	-48.34	319.05	3.31	-45.03
CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326535	0	42	0.0	-39.59	358.65	5.32	-34.27
CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326535	1	42	0.0	-38.45	355.61	4.60	-33.85
CCN(CC[NH+]1CCCCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326552	0	48	0.0	-36.05	386.23	7.19	-28.86
CCCN(CC[NH+]1CCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326575	0	45	0.0	-38.28	386.23	7.22	-31.06
CC1CC([NH+]2CCCC2)CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326585	0	43	0.0	-50.52	363.28	6.34	-44.18
CCCN(CC[NH+]1CCCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326593	0	48	0.0	-37.42	396.70	7.65	-29.77
CN(C1CC2CCC(C1)[NH+]2C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326607	0	43	0.0	-44.72	322.89	5.70	-39.02
O=S(=O)(NCC[NH+]1CCC(O)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326691	1	40	0.0	-41.52	347.78	0.95	-40.57
C[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH+](C)C	REAL300024326693	0	35	0.0	-41.70	305.33	3.05	-38.65
C[NH+]1C2CCC1CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024326700	0	40	0.0	-48.04	325.86	5.39	-42.65
CCN(C1CC[NH+](C)CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326715	0	42	0.0	-54.59	353.40	5.91	-48.68
O=S(=O)(NC1CCC[N@@H+](CCCO)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326718	1	43	0.0	-47.51	377.02	1.52	-45.99
O=S(=O)(NC1CCC[N@H+](CCCO)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326718	1	43	0.0	-51.17	369.97	1.82	-49.35
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@@H]21	REAL300024326757	0	37	0.0	-52.39	320.49	4.37	-48.02
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@@H]21	REAL300024326757	1	37	0.0	-43.77	325.68	4.70	-39.07
C[NH+](C)CCCC(C)(C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326758	0	44	0.0	-57.26	366.46	4.70	-52.56
C[NH+](C)CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024326777	0	36	0.0	-56.04	329.94	4.27	-51.77
CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326792	0	48	0.0	-40.25	387.23	6.66	-33.59
CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@@H+](C2CCC2)C1	REAL300024326795	0	46	0.0	-36.68	361.64	7.45	-29.23
CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@H+](C2CCC2)C1	REAL300024326795	1	46	0.0	-45.37	369.92	7.55	-37.82
CC1C([NH+](C)C)CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326803	0	39	0.0	-45.80	334.21	5.06	-40.74
C[N@@H+]1CCCC2(CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)C1	REAL300024326880	0	43	0.0	-56.57	359.71	5.91	-50.66
C[N@H+]1CCCC2(CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)C1	REAL300024326880	1	43	0.0	-47.60	358.91	5.99	-41.61
C[N@@H+]1CCC2(CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)C1	REAL300024326924	0	40	0.0	-56.48	346.87	5.20	-51.28
C[N@H+]1CCC2(CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)C1	REAL300024326924	1	40	0.0	-58.50	346.45	5.27	-53.23
O=S(=O)(NCCCCC[NH+]1CCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326927	0	45	0.0	-50.16	385.97	5.99	-44.17
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C[NH+](C)C	REAL300024326938	0	38	0.0	-38.45	331.89	3.96	-34.49
C#CC[N@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326973	0	37	0.0	-45.46	342.22	4.47	-40.99
C#CC[N@@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326973	1	37	0.0	-45.45	342.22	4.48	-40.97
CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326989	0	44	0.0	-36.28	353.75	5.49	-30.79
CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024326989	1	44	0.0	-37.58	362.32	5.61	-31.97
CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327010	0	44	0.0	-39.34	368.08	5.53	-33.81
CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327010	1	44	0.0	-38.53	367.14	5.49	-33.04
CSC1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[NH+](C)CC1	REAL300024327026	0	43	0.0	-45.03	367.79	5.10	-39.93
CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327027	0	44	0.0	-39.45	370.34	5.72	-33.73
CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327027	1	44	0.0	-35.30	367.27	5.95	-29.35
CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327039	0	41	0.0	-45.79	353.76	4.48	-41.31
CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327039	1	41	0.0	-36.15	341.53	4.94	-31.21
CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327084	0	44	0.0	-38.04	361.81	5.34	-32.70
CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327084	1	44	0.0	-39.96	356.10	5.45	-34.51
CN(C)CC[N@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327090	0	46	0.0	-46.24	390.06	2.69	-43.55
CN(C)CC[N@@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327090	1	46	0.0	-46.17	390.19	2.70	-43.47
CN(CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC[NH+](C)C	REAL300024327090	1	46	0.0	-52.30	390.43	2.87	-49.43
CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327092	0	49	0.0	-44.89	412.21	4.59	-40.30
CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327092	1	49	0.0	-44.28	412.34	4.59	-39.69
CN(CCCN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC[NH+](C)C	REAL300024327092	1	49	0.0	-52.48	411.94	4.77	-47.71
CCCC[N@H+](C)CC(C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327096	0	44	0.0	-39.39	368.34	5.52	-33.87
CCCC[N@@H+](C)CC(C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327096	1	44	0.0	-37.83	374.11	5.28	-32.55
C[N@H+](CCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300024327126	0	42	0.0	-46.06	367.77	5.44	-40.62
C[N@@H+](CCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300024327126	1	42	0.0	-46.06	367.77	5.43	-40.63
C[N@@H+]1CCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327151	0	36	0.0	-46.10	321.35	3.53	-42.57
C[N@H+]1CCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327151	1	36	0.0	-46.99	321.66	3.49	-43.50
C[N@@H+]1CCCC(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327155	0	42	0.0	-52.20	351.06	4.50	-47.70
C[N@H+]1CCCC(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327155	1	42	0.0	-52.38	351.10	4.51	-47.87
CC[N@@H+]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)C1	REAL300024327160	0	42	0.0	-48.19	340.75	6.12	-42.07
CC[N@H+]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)C1	REAL300024327160	1	42	0.0	-46.07	348.67	6.35	-39.72
CC1(C)CCC[N@@H+]1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327215	0	42	0.0	-34.77	354.18	4.43	-30.34
CC1(C)CCC[N@H+]1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327215	1	42	0.0	-34.72	354.16	4.42	-30.30
CC(C)[N@@H+]1CCC(N(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327221	0	42	0.0	-39.50	353.41	5.60	-33.90
CC(C)[N@H+]1CCC(N(C)S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327221	1	42	0.0	-40.96	353.27	5.63	-35.33
C[NH+](C)C1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024327319	0	42	0.0	-44.71	345.43	4.67	-40.04
CN(C1C[NH+]2CCC1CC2)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327325	1	40	0.0	-52.13	328.30	5.03	-47.10
CN(CC1CCC[N@@H+]1C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327362	0	39	0.0	-44.31	332.71	5.73	-38.58
CN(CC1CCC[N@H+]1C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327362	1	39	0.0	-40.02	333.66	5.72	-34.30
CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327366	0	45	0.0	-40.38	352.59	6.52	-33.86
C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])[C@@H]2C1	REAL300024327379	0	40	0.0	-51.22	338.02	5.58	-45.64
C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])[C@@H]2C1	REAL300024327379	1	40	0.0	-53.39	336.86	5.67	-47.72
CC1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327405	0	43	0.0	-45.83	382.25	5.24	-40.59
C[NH+]1CCC2(CC1)CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCO2	REAL300024327416	0	44	0.0	-56.15	369.30	4.93	-51.22
C[NH+](C)C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024327457	0	36	0.0	-41.00	322.65	3.77	-37.23
COCC[N@@H+]1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327463	1	43	0.0	-42.52	357.66	3.70	-38.82
COCC[N@H+]1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327463	1	43	0.0	-41.30	362.06	3.32	-37.98
C[N@@H+]1CC2CCC1C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024327467	1	40	0.0	-38.34	319.72	4.70	-33.64
C[N@H+]1CC2CCC1C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024327467	1	40	0.0	-42.71	326.39	5.21	-37.50
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327490	0	39	0.0	-47.22	344.71	4.44	-42.78
O=S(=O)(NC1CCC[N@@H+]2CCCCC12)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327501	0	43	0.0	-49.53	363.94	5.22	-44.31
CCC(C)(C)N1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024327505	0	45	0.0	-39.18	360.06	5.85	-33.33
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024327505	1	45	0.0	-39.18	360.06	5.85	-33.33
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCN2C[C@H](O)C[C@H]2C1	REAL300024327513	0	38	0.0	-42.84	332.95	1.66	-41.18
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL300024327513	1	38	0.0	-46.16	327.79	1.05	-45.11
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL300024327513	1	38	0.0	-46.16	327.79	1.05	-45.11
CN1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCCCC2	REAL300024327538	0	46	0.0	-49.84	356.45	6.25	-43.59
C[N@@H+]1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCCCC2	REAL300024327538	1	46	0.0	-47.44	357.76	6.26	-41.18
C[N@H+]1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCCCC2	REAL300024327538	1	46	0.0	-47.44	357.76	6.26	-41.18
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@@H]2C1	REAL300024327563	0	40	0.0	-48.95	342.02	5.42	-43.53
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@@H]2C1	REAL300024327563	1	40	0.0	-48.95	342.02	5.42	-43.53
C[NH+](C)CCN1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1=O	REAL300024327580	0	43	0.0	-53.98	376.92	4.45	-49.53
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327590	0	44	0.0	-44.69	373.67	5.37	-39.32
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327590	1	44	0.0	-44.69	373.67	5.37	-39.32
CN(CC1CN(C)C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327660	0	36	0.0	-45.40	321.18	4.38	-41.02
CN(CC1C[NH+](C)C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327660	1	36	0.0	-45.40	321.18	4.38	-41.02
C[NH+](C)C1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327713	0	36	0.0	-51.84	332.45	3.68	-48.16
O=S(=O)(NCC12CCC[NH+]1CCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327715	0	40	0.0	-39.54	335.14	4.55	-34.99
C=CCN(C)CCN(CC)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327718	0	42	0.0	-39.64	369.77	6.52	-33.12
C=CC[N@@H+](C)CCN(CC)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327718	1	42	0.0	-44.76	371.01	6.56	-38.20
C=CC[N@H+](C)CCN(CC)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327718	1	42	0.0	-44.76	371.01	6.56	-38.20
CC1=CCN(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024327720	0	40	0.0	-39.61	350.25	4.89	-34.72
CC1=CC[N@H+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024327720	1	40	0.0	-39.68	350.30	4.89	-34.79
CC1=CC[N@@H+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024327720	1	40	0.0	-39.68	350.30	4.89	-34.79
CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327737	0	45	0.0	-55.34	388.06	6.02	-49.32
CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327737	1	45	0.0	-55.34	388.06	6.02	-49.32
CC(CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH+](C)C	REAL300024327739	0	38	0.0	-46.40	330.35	3.62	-42.78
CN(CCC[NH+](C)C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327740	0	46	0.0	-54.38	390.37	2.85	-51.53
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327752	0	49	0.0	-55.46	416.81	3.75	-51.71
CC(C)(C)[N@@H+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327766	0	42	0.0	-43.19	358.56	4.27	-38.92
CC(C)(C)[N@@H+]1CCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327778	0	45	0.0	-42.43	371.21	4.96	-37.47
CC(C)(C)[N@H+]1CCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327778	1	45	0.0	-42.43	371.21	4.96	-37.47
CC(C)(C)N1CCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327779	0	42	0.0	-37.05	335.69	3.86	-33.19
CC(C)(C)[N@@H+]1CCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327779	1	42	0.0	-37.64	340.06	3.87	-33.77
CC(C)(C)[N@H+]1CCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327779	1	42	0.0	-37.64	340.06	3.87	-33.77
CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024327807	0	46	0.0	-49.13	369.01	1.49	-47.64
C[N@@H+]1CCCCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327843	0	42	0.0	-45.04	349.48	4.89	-40.15
C[N@H+]1CCCCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024327843	1	42	0.0	-45.04	349.48	4.89	-40.15
O=S(=O)(NCC1CC[N@@H+]1C1CCCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327864	0	46	0.0	-40.81	384.13	5.86	-34.95
CN(C1CCN(C)C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327870	0	36	0.0	-44.99	318.10	4.47	-40.52
CN(C1CC[N@H+](C)C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327870	1	36	0.0	-41.35	316.36	4.51	-36.84
CN(C1CC[N@@H+](C)C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327870	1	36	0.0	-41.35	316.36	4.51	-36.84
C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327881	0	36	0.0	-37.80	314.02	3.19	-34.61
C[N@H+]1CCC[C@@H]1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327881	1	36	0.0	-40.42	316.22	3.75	-36.67
C[N@@H+]1CCCC1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327897	0	39	0.0	-35.41	334.69	4.26	-31.15
C[N@H+]1CCCC1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327897	1	39	0.0	-46.80	335.09	3.90	-42.90
NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327899	1	43	0.0	-54.95	372.41	0.71	-54.24
NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327899	1	43	0.0	-48.18	378.20	1.22	-46.96
C[NH+]1CCN(CC2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)CC1	REAL300024327902	0	45	0.0	-59.22	386.95	3.40	-55.82
O=S(=O)(NC1CC[N@@H+](C2CCCCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327907	0	46	0.0	-38.49	374.00	5.97	-32.52
O=S(=O)(NC1CC[N@H+](C2CCCCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024327907	1	46	0.0	-37.12	374.16	5.89	-31.23
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300024327933	0	44	0.0	-51.61	370.40	2.85	-48.76
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC([N@H+]2CCC(O)C2)CC1	REAL300024327933	1	44	0.0	-52.26	371.59	2.92	-49.34
CC(C)C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[NH2+]1	REAL300024327941	0	39	0.0	-41.98	331.01	3.84	-38.14
CCC[N@@H+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024328010	0	39	0.0	-40.34	336.15	4.26	-36.08
CCC[N@H+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024328010	1	39	0.0	-38.95	334.84	4.23	-34.72
O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328045	0	46	0.0	-49.53	388.44	6.58	-42.95
C[NH+](C)CCCC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300024328051	0	46	0.0	-56.58	393.26	5.35	-51.23
O=S(=O)(NCC1CCC[N@H+](CC2CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328063	0	46	0.0	-38.36	382.01	6.51	-31.85
O=S(=O)(NCC1CCC[N@@H+](CC2CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328063	1	46	0.0	-44.97	380.91	6.09	-38.88
CC(C[NH+](C)C)C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328070	0	48	0.0	-58.63	374.14	7.40	-51.23
CC(C)[NH+]1CCC(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328090	0	48	0.0	-46.83	389.43	5.93	-40.90
C[NH+]1CC2(C)CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2(C)C1	REAL300024328129	0	43	0.0	-40.75	358.83	5.47	-35.28
CC1([NH+]2CCCC2)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328143	0	46	0.0	-48.69	365.91	6.25	-42.44
CCC1([NH+](C)C)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328148	0	45	0.0	-52.98	347.35	5.53	-47.45
O=S(=O)(NCC1CC[N@@H+]1C1CCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328156	0	43	0.0	-41.35	362.08	6.03	-35.32
O=S(=O)(NCC1CC[N@H+]1C1CCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328156	1	43	0.0	-39.37	361.68	5.04	-34.33
C[NH+]1CCC2(CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)CC1	REAL300024328179	0	46	0.0	-58.72	368.55	6.43	-52.29
CN(CC[NH+]1CCCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328299	0	42	0.0	-47.47	361.29	6.22	-41.25
C[N@@H+]1CCC2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCC21	REAL300024328318	0	40	0.0	-51.88	342.45	5.37	-46.51
C[N@H+]1CCC2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCC21	REAL300024328318	1	40	0.0	-52.41	338.17	5.14	-47.27
CC(C)[C@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@@H+]1C	REAL300024328326	1	42	0.0	-47.95	347.82	5.60	-42.35
CC(C)[C@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@H+]1C	REAL300024328326	1	42	0.0	-40.70	344.30	5.33	-35.37
C[NH+](C)C1(C)CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328339	0	45	0.0	-43.56	350.69	4.68	-38.88
NC1=CC=[NH+]C2=C1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300024328352	0	36	0.0	-45.61	328.94	2.81	-42.80
CN1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC2=CC=C[NH+]=C21	REAL300024328396	1	39	0.0	-48.09	343.47	4.85	-43.24
C[N@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCOCCO	REAL300024328422	1	43	0.0	-41.60	379.03	0.17	-41.43
C[N@@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCOCCO	REAL300024328422	1	43	0.0	-42.17	379.02	0.17	-42.00
CC[N@@H+]1CCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328427	1	36	0.0	-41.28	317.90	3.51	-37.77
CC[N@H+]1CCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328427	1	36	0.0	-41.66	317.48	3.68	-37.98
CC1([NH+]2CCC2)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328428	0	43	0.0	-50.68	350.96	5.61	-45.07
CN(CCCC[NH+]1CCCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328440	0	48	0.0	-46.23	401.84	7.77	-38.46
C[N@@H+]1CCCN(CCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328503	0	47	0.0	-52.03	386.11	3.69	-48.34
C[N@H+]1CCCN(CCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328503	1	47	0.0	-51.77	386.95	3.47	-48.30
CN(CCCC[NH+](C)C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328514	0	41	0.0	-48.52	360.02	5.93	-42.59
C[N@@H+]1CCCC2C1CCN2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328530	0	40	0.0	-53.17	341.00	5.36	-47.81
C[N@H+]1CCCC2C1CCN2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328530	1	40	0.0	-54.70	340.32	5.40	-49.30
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	REAL300024328564	0	41	0.0	-46.02	349.73	2.47	-43.55
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO	REAL300024328564	1	41	0.0	-47.27	330.76	3.20	-44.07
CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328586	1	43	0.0	-66.98	374.94	4.67	-62.31
CCOC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C[NH+](C)C	REAL300024328635	0	42	0.0	-45.96	363.84	3.40	-42.56
CC[N@@H+]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300024328672	0	46	0.0	-48.59	370.33	4.99	-43.60
CC[N@H+]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300024328672	1	46	0.0	-52.85	371.62	5.09	-47.76
C[N@@H+]1CC(O)CC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328678	1	37	0.0	-37.75	325.19	-0.22	-37.97
C[N@H+]1CC(O)CC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328678	1	37	0.0	-43.10	325.83	-0.23	-43.33
C[N@H+](CCO)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328679	1	36	0.0	-40.54	323.54	-0.08	-40.62
C[N@@H+](CCO)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328679	1	36	0.0	-40.25	323.54	-0.08	-40.33
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC([NH2+]C2CCOCC2)C1	REAL300024328695	0	41	0.0	-54.15	365.35	2.36	-51.79
CC[N@@H+]1CCC2CCC(C1)N2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328724	0	43	0.0	-45.34	355.14	6.39	-38.95
CC[N@H+]1CCC2CCC(C1)N2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328724	1	43	0.0	-49.61	355.82	6.37	-43.24
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328733	0	40	0.0	-43.74	334.99	5.82	-37.92
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328733	1	40	0.0	-50.12	334.70	5.97	-44.15
CN(C)C1=CC=[NH+]C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300024328747	0	38	0.0	-36.11	347.00	3.15	-32.96
C[NH+]1CCN(C(=O)CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328749	1	40	0.0	-51.28	353.16	2.62	-48.66
CCC1=[NH+]C=CN1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328751	1	37	0.0	-38.55	339.84	4.52	-34.03
C[NH+](C)CCC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024328753	0	42	0.0	-57.62	363.89	5.90	-51.72
C[N@@H+]1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328754	0	39	0.0	-50.66	337.36	4.04	-46.62
C[N@H+]1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328754	1	39	0.0	-37.54	319.34	4.21	-33.33
CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@@H+]1C1CCCC1	REAL300024328765	1	46	0.0	-43.05	371.72	6.98	-36.07
CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@H+]1C1CCCC1	REAL300024328765	1	46	0.0	-40.15	371.58	6.70	-33.45
CCC1([NH+]2CCC2)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328804	0	46	0.0	-44.16	357.59	5.78	-38.38
C#CC[NH+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328829	1	38	0.0	-41.64	336.43	4.66	-36.98
C[NH+](C)C1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C12CCC2	REAL300024328845	0	43	0.0	-54.03	369.41	5.31	-48.72
CC(C)C1=[NH+]C=CN1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328853	1	40	0.0	-37.31	358.55	5.09	-32.22
CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1C[N@H+](C)CCN1C	REAL300024328863	1	44	0.0	-52.79	363.00	1.85	-50.94
CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1C[N@@H+](C)CCN1C	REAL300024328863	1	44	0.0	-42.79	349.68	2.58	-40.21
C[NH+](C)CC1(O)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024328865	0	43	0.0	-50.90	357.53	3.58	-47.32
CC1=CC=C(NCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[NH+]=C1	REAL300024328904	1	38	0.0	-39.96	352.01	3.33	-36.63
CC1=CC=CC(NCCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=[NH+]1	REAL300024328905	1	38	0.0	-39.04	351.95	3.27	-35.77
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328923	0	41	0.0	-46.52	357.96	6.51	-40.01
O=S(=O)(NCC1CC[N@@H+]1C1CCOCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328939	0	44	0.0	-44.32	356.81	3.17	-41.15
O=S(=O)(NCC1CC[N@H+]1C1CCOCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024328939	1	44	0.0	-42.24	375.44	3.50	-38.74
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC([NH2+]C2CCOC2)C1	REAL300024328966	0	38	0.0	-55.27	346.20	1.57	-53.70
CC[N@@H+]1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)(C)C1	REAL300024329001	0	42	0.0	-50.69	364.53	4.93	-45.76
CC[N@H+]1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)(C)C1	REAL300024329001	1	42	0.0	-35.88	350.73	4.92	-30.96
CC[NH+]1CCN(C2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)CC1	REAL300024329004	0	45	0.0	-54.86	386.96	3.67	-51.19
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@]2(C)C1	REAL300024329031	0	40	0.0	-55.40	347.02	5.05	-50.35
C[N@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@]2(C)C1	REAL300024329031	1	40	0.0	-47.40	347.26	5.24	-42.16
CC1([NH+]2CCC2)CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024329077	0	46	0.0	-52.69	375.46	5.12	-47.57
CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024329081	1	39	0.0	-49.87	341.99	4.09	-45.78
CC[N@H+]1CCC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024329081	1	39	0.0	-43.22	339.60	4.56	-38.66
C[N@@H+]1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)(C)C1	REAL300024329084	1	39	0.0	-37.84	332.08	4.14	-33.70
C[N@H+]1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)(C)C1	REAL300024329084	1	39	0.0	-51.24	344.91	4.11	-47.13
C[N@@H+]1CC2CCC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2C1	REAL300024329126	0	43	0.0	-51.14	354.84	5.00	-46.14
C[N@H+]1CC2CCC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2C1	REAL300024329126	1	43	0.0	-53.76	350.36	5.14	-48.62
C[N@@H+]1CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329177	1	39	0.0	-38.39	331.81	4.51	-33.88
C[N@H+]1CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329177	1	39	0.0	-39.62	332.01	4.53	-35.09
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2C1CCC[N@H+]2CCO	REAL300024329228	1	44	0.0	-46.99	365.65	3.16	-43.83
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2C1CCC[N@@H+]2CCO	REAL300024329228	1	44	0.0	-53.57	369.63	2.84	-50.73
CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329236	0	44	0.0	-33.72	352.69	5.88	-27.84
CC1(C)CC[N@H+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024329301	0	42	0.0	-37.89	361.31	4.73	-33.16
CC1(C)CC[N@@H+](CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024329301	1	42	0.0	-37.70	360.85	4.74	-32.96
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCN(C2=CC=[NH+]N=C2)CC1	REAL300024329328	1	38	0.0	-48.12	341.61	2.39	-45.73
C[NH+](C)CC1(O)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024329332	0	40	0.0	-53.51	349.93	2.25	-51.26
CC[C@H](C[NH+](C)C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329338	0	38	0.0	-32.71	320.11	4.64	-28.07
O=S(=O)(NCC1C[NH+]2CCC1CC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329346	0	40	0.0	-48.96	336.08	4.31	-44.65
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1C2=CC=[NH+]C=C2N2CCC1C2	REAL300024329350	1	37	0.0	-44.50	327.73	3.42	-41.08
C[NH+](C)C1CCC2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2C1	REAL300024329399	0	46	0.0	-54.29	373.89	6.75	-47.54
C[NH+]1CCC2(CCN2S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024329415	0	40	0.0	-53.86	340.43	5.36	-48.50
CCC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@H+](C)C1	REAL300024329470	0	42	0.0	-52.12	334.95	5.87	-46.25
CCC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[N@@H+](C)C1	REAL300024329470	1	42	0.0	-48.00	336.85	5.78	-42.22
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH+]1CCSCC1	REAL300024329491	1	43	0.0	-39.61	362.28	5.14	-34.47
O=S(=O)(NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329493	1	42	0.0	-44.34	357.55	3.04	-41.30
O=S(=O)(NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329493	1	42	0.0	-35.87	353.00	3.13	-32.74
C[C@H](C[NH+](C)C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329505	0	35	0.0	-38.58	307.25	3.37	-35.21
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@@H]21	REAL300024329521	0	41	0.0	-40.27	350.09	1.85	-38.42
C[N@H+]1[C@@H](CO)C[C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@@H]21	REAL300024329521	1	41	0.0	-49.67	345.38	2.34	-47.33
C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329550	0	39	0.0	-40.07	328.07	4.50	-35.57
CC(C)C(CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH+](C)C	REAL300024329558	0	44	0.0	-37.81	356.76	4.51	-33.30
C[N@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCOCC1	REAL300024329572	0	43	0.0	-40.41	362.83	3.12	-37.29
C[N@@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCOCC1	REAL300024329572	1	43	0.0	-40.45	362.83	3.11	-37.34
CN(C1CC[NH+](C(C)(C)C)CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329589	0	48	0.0	-47.95	382.65	6.67	-41.28
CN(C1CC[NH+](C2CC2)CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329600	0	43	0.0	-42.18	363.79	6.67	-35.51
CC1(C)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC(C)(C)[NH2+]1	REAL300024329628	0	45	0.0	-52.82	353.59	5.45	-47.37
C[NH+](C)C1(C)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024329636	0	39	0.0	-49.10	333.23	4.54	-44.56
C[N@@H+]1CC2CCC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2C1	REAL300024329651	0	40	0.0	-40.64	333.56	4.92	-35.72
C[N@H+]1CC2CCC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2C1	REAL300024329651	1	40	0.0	-37.40	342.80	4.90	-32.50
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCN12	REAL300024329668	1	35	0.0	-37.36	322.34	5.06	-32.30
CN(C1CC[NH+](C2CC2)CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329684	0	43	0.0	-42.18	363.79	6.67	-35.51
C[NH+](C)CCC1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329772	0	42	0.0	-55.98	360.14	6.10	-49.88
CC[N@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329782	0	35	0.0	-39.14	313.19	3.14	-36.00
CC[N@@H+](C)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329782	1	35	0.0	-39.16	313.24	3.14	-36.02
C[N@@H+]1CC2(CCC2)CCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329795	0	46	0.0	-39.28	367.31	5.52	-33.76
C[N@H+]1CC2(CCC2)CCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329795	1	46	0.0	-39.01	376.42	6.22	-32.79
CCC[NH+](CCC)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329808	0	44	0.0	-38.82	369.73	5.05	-33.77
CC[NH+](CC)CCC(C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329828	0	44	0.0	-50.00	377.59	5.16	-44.84
CN([C@@H]1C[N@H+](C)C[C@H]1O)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329872	1	37	0.0	-45.79	327.38	1.12	-44.67
CN([C@@H]1C[N@@H+](C)C[C@H]1O)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329872	1	37	0.0	-52.65	327.01	1.27	-51.38
CO[C@@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329907	1	37	0.0	-40.62	328.80	1.87	-38.75
CO[C@@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024329907	1	37	0.0	-37.77	328.33	1.85	-35.92
CC[N@H+](C)C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024329986	0	39	0.0	-46.56	339.62	5.08	-41.48
CC[N@@H+](C)C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024329986	1	39	0.0	-51.27	339.74	5.07	-46.20
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C[NH+]2CCCC2)CC1	REAL300024330008	0	46	0.0	-51.01	380.35	7.28	-43.73
C[N@@H+]1CC2CC1(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024330014	1	37	0.0	-40.61	324.46	3.72	-36.89
C[N@H+]1CC2CC1(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024330014	1	37	0.0	-41.30	323.82	3.72	-37.58
O=S(=O)(NCC1=CN2C=[NH+]C=C2C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330028	0	34	0.0	-47.94	327.28	6.07	-41.87
CC[N@H+](C)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024330040	0	45	0.0	-49.42	371.99	6.79	-42.63
CC[N@@H+](C)CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024330040	1	45	0.0	-51.95	372.06	6.79	-45.16
C[N@H+]1[C@@H]2CCC[C@H]1CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024330078	0	43	0.0	-51.09	353.18	4.68	-46.41
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024330078	1	43	0.0	-52.35	356.89	4.61	-47.74
CCC[N@@H+]1CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330177	0	45	0.0	-38.90	366.01	5.43	-33.47
CCC[N@H+]1CCCCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330177	1	45	0.0	-38.64	371.17	5.97	-32.67
CC[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])[C@@H]2C1	REAL300024330247	0	44	0.0	-31.81	362.19	4.81	-27.00
CC[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])[C@@H]2C1	REAL300024330247	1	44	0.0	-41.78	346.78	5.33	-36.45
O=S(=O)(NC1CC([NH+]2CCCCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330325	0	43	0.0	-47.50	373.56	5.51	-41.99
C[NH+](C)CC#CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330336	0	34	0.0	-51.52	324.72	3.97	-47.55
C[N@@H+]1CCC2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2C1	REAL300024330363	0	40	0.0	-59.03	347.43	5.39	-53.64
C[N@H+]1CCC2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2C1	REAL300024330363	1	40	0.0	-59.29	345.55	5.45	-53.84
C[NH+]1CCC(NC(=O)CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024330403	0	43	0.0	-54.34	377.69	2.20	-52.14
O=S(=O)(NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330414	0	44	0.0	-43.47	357.52	6.85	-36.62
CCCC1=[NH+]C=CN1CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330483	1	43	0.0	-42.03	382.75	6.04	-35.99
C[NH+]1CC23CCCC2(CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C3)C1	REAL300024330513	0	44	0.0	-57.86	368.59	5.88	-51.98
C[NH+](C)[C@@H]1COC[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330590	0	40	0.0	-44.01	347.24	2.28	-41.73
C[NH+](C)CCCCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330598	0	44	0.0	-53.09	381.51	5.58	-47.51
C[N@@H+]1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCC2	REAL300024330599	0	40	0.0	-40.28	350.13	4.35	-35.93
C[N@H+]1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCC2	REAL300024330599	1	40	0.0	-47.20	350.59	4.24	-42.96
C[NH+](C)C1CCCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024330620	0	42	0.0	-50.39	345.47	5.70	-44.69
C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])[C@@H]2C1	REAL300024330636	0	37	0.0	-53.73	326.45	4.91	-48.82
C[N@H+]1C[C@@H]2CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])[C@@H]2C1	REAL300024330636	1	37	0.0	-51.06	321.54	4.86	-46.20
C[NH+](C)[C@@H]1COC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330637	1	37	0.0	-39.64	322.72	1.73	-37.91
O=S(=O)(N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330653	0	46	0.0	-45.09	386.46	6.04	-39.05
O=S(=O)(N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330653	1	46	0.0	-43.78	381.95	6.44	-37.34
C[N@@H+]1CC2CC1CC2NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330667	0	37	0.0	-50.94	325.60	3.59	-47.35
C[N@H+]1CC2CC1CC2NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330667	1	37	0.0	-44.12	319.97	4.01	-40.11
CCC1=[NH+]C=CN1CC(C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330678	1	40	0.0	-34.39	358.25	5.25	-29.14
O=S(=O)(N[C@@H]1COC[C@H]1[NH+]1CCCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330819	1	41	0.0	-38.74	342.11	2.47	-36.27
CC(C)(CC[NH+]1CCCC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024330830	0	45	0.0	-52.46	369.23	4.92	-47.54
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[N@@H+]2CCCC2C12CCC2	REAL300024330857	0	44	0.0	-42.89	354.27	6.29	-36.60
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[N@H+]2CCCC2C12CCC2	REAL300024330857	1	44	0.0	-43.62	349.80	6.99	-36.63
CC(C)(C)[N@@H+]1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024330905	0	45	0.0	-38.52	354.28	5.26	-33.26
CC(C)(C)[N@H+]1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024330905	1	45	0.0	-35.84	358.60	4.89	-30.95
C[NH+](C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300024330947	1	42	0.0	-37.67	365.65	6.47	-31.20
CN(C)C1=CC=C(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=[NH+]1	REAL300024330950	1	41	0.0	-38.65	368.47	5.15	-33.50
C[N@@H+]1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCCC2	REAL300024330951	0	43	0.0	-47.51	363.86	4.73	-42.78
C[N@H+]1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCCC2	REAL300024330951	1	43	0.0	-29.64	352.37	5.16	-24.48
C[N@@H+]1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCOCC2	REAL300024330974	0	44	0.0	-34.59	358.64	2.95	-31.64
C[N@H+]1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCOCC2	REAL300024330974	1	44	0.0	-33.29	356.51	2.88	-30.41
C[NH+](C)CCC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300024331044	0	43	0.0	-55.61	371.76	4.56	-51.05
C[NH+](C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300024331052	1	42	0.0	-31.15	365.42	6.57	-24.58
O=S(=O)(NCC[NH+]1CC2CC2C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331066	0	37	0.0	-38.73	331.30	4.38	-34.35
C[NH+]1CCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331079	0	39	0.0	-50.39	339.18	4.37	-46.02
C[NH+](C)CC1CC2(CCN2S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331155	0	43	0.0	-58.54	375.61	6.11	-52.43
C[NH+](C)[C@H]1CCCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331254	0	42	0.0	-43.07	348.35	5.96	-37.11
C[NH+](C)C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)(C)C1	REAL300024331295	0	42	0.0	-47.85	357.00	5.84	-42.01
CCC[N@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)C	REAL300024331389	0	44	0.0	-37.22	358.30	4.73	-32.49
CCC[N@@H+](CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)C	REAL300024331389	1	44	0.0	-37.53	362.24	4.71	-32.82
C[N@@H+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)(C)C1	REAL300024331431	0	42	0.0	-40.46	341.57	4.75	-35.71
C[N@H+]1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)(C)C1	REAL300024331431	1	42	0.0	-51.70	354.28	4.74	-46.96
C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331433	0	39	0.0	-46.48	345.45	4.46	-42.02
CN1C=C([C@@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@H]2[NH3+])C=N1	REAL300024331475	0	40	0.0	-59.18	365.69	1.80	-57.38
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCCC1C1CCC[NH2+]1	REAL300024331476	0	43	0.0	-51.91	338.90	4.02	-47.89
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCCC1C1CC[NH2+]C1	REAL300024331477	0	43	0.0	-54.63	329.45	3.71	-50.92
C[NH2+]CCCN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331478	0	35	0.0	-48.91	321.75	3.11	-45.80
O=S(=O)(NCC1C[NH2+]CCCO1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331479	0	37	0.0	-51.71	324.17	0.56	-51.15
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[C@H]2C[NH2+]C[C@H]21	REAL300024331480	0	34	0.0	-58.50	304.64	2.68	-55.82
[NH3+]CCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(F)F	REAL300024331481	0	32	0.0	-52.93	313.75	0.48	-52.45
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC[C@H]2C[NH2+]C[C@H]21	REAL300024331482	0	37	0.0	-41.23	313.87	3.35	-37.88
O=S(=O)(NCCC[NH2+]C1CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331483	0	36	0.0	-47.69	331.90	2.77	-44.92
CC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[NH2+]CC1	REAL300024331484	0	36	0.0	-57.18	308.33	1.77	-55.41
O=S(=O)(NCC1C[NH2+]CCO1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331485	0	34	0.0	-53.60	310.88	-0.16	-53.76
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH2+]CC1C1=CC=CC=C1	REAL300024331486	1	40	0.0	-50.25	335.68	4.69	-45.56
CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1C[NH3+]	REAL300024331487	0	39	0.0	-40.28	333.41	2.59	-37.69
[NH3+]CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCO1	REAL300024331488	0	37	0.0	-54.43	328.49	0.77	-53.66
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2(CCC[NH2+]2)C1	REAL300024331489	0	37	0.0	-48.47	327.68	3.09	-45.38
[NH3+]CCCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300024331490	0	42	0.0	-54.72	369.39	3.95	-50.77
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH2+]CC1C1=CC=NC=C1	REAL300024331491	1	39	0.0	-53.76	330.94	2.83	-50.93
[NH3+]CC1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331492	0	36	0.0	-61.10	314.72	1.11	-59.99
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC2CCC1C[NH2+]2	REAL300024331493	0	34	0.0	-48.73	301.09	2.68	-46.05
CC1CC(C)N(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1C[NH3+]	REAL300024331494	0	42	0.0	-50.48	347.40	3.12	-47.36
[NH3+]CC1(O)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331495	0	37	0.0	-65.38	321.77	-0.73	-66.11
CC(C)(CC[NH3+])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331496	0	35	0.0	-64.08	306.45	-0.04	-64.12
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2(CC[NH2+]2)CC1	REAL300024331497	0	37	0.0	-52.69	322.57	2.98	-49.71
C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331498	0	36	0.0	-47.64	306.69	2.42	-45.22
[NH3+]CCCCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331499	0	38	0.0	-61.36	342.99	1.66	-59.70
[NH3+]CC1=CC=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300024331500	0	36	0.0	-68.22	338.23	2.22	-66.00
CC1CC2(CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC[NH2+]CC2	REAL300024331501	0	43	0.0	-61.40	356.96	4.45	-56.95
CC([NH3+])CC(C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331502	0	35	0.0	-38.85	308.89	0.71	-38.14
[NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331503	0	36	0.0	-47.59	310.03	1.05	-46.54
CC1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1CC[NH3+]	REAL300024331504	0	42	0.0	-45.11	344.48	2.72	-42.39
[NH3+]CC1(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331505	0	36	0.0	-51.15	326.92	1.34	-49.81
CCO[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C[NH3+]	REAL300024331506	0	40	0.0	-53.33	359.11	1.21	-52.12
[NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331507	0	40	0.0	-40.26	342.22	2.84	-37.42
[NH3+]CC1=CC=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(F)=C1	REAL300024331509	0	36	0.0	-73.75	343.81	2.24	-71.51
C[NH2+]CC1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331510	0	39	0.0	-41.04	352.27	4.11	-36.93
O=S(=O)(NCCC1CC[NH2+]CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331511	0	39	0.0	-53.65	338.17	2.75	-50.90
[NH3+]CCC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331512	0	39	0.0	-66.47	339.03	2.75	-63.72
COCC[NH2+]C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331513	0	43	0.0	-53.97	371.96	3.07	-50.90
[NH3+]C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300024331514	0	36	0.0	-49.89	317.26	1.38	-48.51
[NH3+][C@H]1C[C@@H](C2=CC=CC=C2)N(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331515	0	40	0.0	-57.79	362.08	4.46	-53.33
O=S(=O)(N[C@H]1CC[NH2+]C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331516	0	30	0.0	-52.50	288.91	0.62	-51.88
CN(CCC[NH3+])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331517	0	32	0.0	-53.63	300.01	1.23	-52.40
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2CCC[NH2+]C2)CC1	REAL300024331518	0	46	0.0	-55.90	374.69	5.32	-50.58
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC(C2CC[NH2+]CC2)C1	REAL300024331519	0	46	0.0	-63.37	376.89	5.37	-58.00
CN(CC(C)(C)[NH3+])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331520	0	35	0.0	-34.50	304.60	2.25	-32.25
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC(C2CCCC[NH2+]2)C1	REAL300024331521	0	46	0.0	-56.50	371.53	5.73	-50.77
O=S(=O)(NC1CC[NH2+]C2(CCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331523	0	40	0.0	-56.81	349.52	2.90	-53.91
CN(C1CCC[NH2+]CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331524	0	39	0.0	-60.69	328.30	3.46	-57.23
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2(CC[NH2+]CC2)CC1	REAL300024331525	0	43	0.0	-61.01	348.11	4.24	-56.77
CC1(C)CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[NH2+]1	REAL300024331526	1	36	0.0	-44.69	312.11	2.91	-41.78
CC1(C)C[NH2+]C1C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331527	0	46	0.0	-60.95	380.69	4.89	-56.06
CC(C)C1C[NH2+]CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331528	0	39	0.0	-56.84	325.48	2.98	-53.86
O=S(=O)(NC1CC[NH2+]C12CCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331529	0	37	0.0	-44.42	318.65	2.66	-41.76
CCN(CC[NH3+])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331530	0	32	0.0	-59.06	297.97	1.22	-57.84
C[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[C@@H]1CCC[NH3+]	REAL300024331531	0	45	0.0	-65.72	364.64	3.97	-61.75
C[C@@H]1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[C@H](C[NH3+])C1	REAL300024331532	0	39	0.0	-57.37	330.47	2.57	-54.80
O=S(=O)(NC1CCCC[NH2+]CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331533	0	39	0.0	-57.79	328.79	2.37	-55.42
[NH3+]C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300024331534	0	37	0.0	-49.09	320.31	-0.29	-49.38
CC[C@H]1[NH2+]CC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331535	0	36	0.0	-52.57	329.66	2.05	-50.52
C[NH2+]CCOCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331536	0	36	0.0	-50.27	333.12	0.61	-49.66
[NH3+]CC12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331537	0	34	0.0	-48.16	300.31	2.29	-45.87
C[NH2+]CCOCCN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331538	0	39	0.0	-54.33	351.87	2.65	-51.68
[NH3+]C1CC2CCC1N(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331539	0	37	0.0	-61.63	317.71	2.45	-59.18
C[NH2+]CC(C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331540	0	32	0.0	-42.34	290.77	1.24	-41.10
[NH3+][C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[C@H]1F	REAL300024331541	0	33	0.0	-43.90	303.45	1.49	-42.41
[NH3+]CC1=CC(=O)NC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300024331542	0	35	0.0	-61.96	335.77	-1.39	-63.35
[NH3+]C12CCCC1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331543	0	37	0.0	-57.69	327.47	2.04	-55.65
O=S(=O)(NCC12CC(C1)C[NH2+]2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331544	0	34	0.0	-43.76	308.93	1.87	-41.89
CC(C)[C@H]([NH3+])CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331545	0	38	0.0	-42.50	331.52	1.35	-41.15
CC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[NH2+]C1	REAL300024331546	0	33	0.0	-54.10	294.46	0.80	-53.30
[NH3+]CC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCCC1	REAL300024331547	0	39	0.0	-42.50	315.04	2.54	-39.96
C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331548	0	40	0.0	-63.25	340.60	3.20	-60.05
CC([NH3+])CN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331549	0	32	0.0	-36.05	290.56	1.97	-34.08
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC2C(C1)C1CCC2C[NH2+]1	REAL300024331550	0	41	0.0	-61.58	338.12	3.79	-57.79
O=S(=O)(N[C@@H]1CC[NH2+]C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331551	0	30	0.0	-47.12	275.19	0.73	-46.39
[NH3+]CC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300024331552	0	37	0.0	-56.84	308.33	-0.42	-57.26
O=S(=O)(NC1CC2CCC1[NH2+]C2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331553	0	37	0.0	-44.01	310.69	2.45	-41.56
CC1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[NH2+]1	REAL300024331554	0	36	0.0	-34.66	307.61	2.21	-32.45
CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1C[NH3+]	REAL300024331555	0	36	0.0	-55.82	326.16	1.81	-54.01
[NH3+]C[C@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331556	0	39	0.0	-56.50	329.37	1.67	-54.83
[NH3+]CCCOCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331557	0	36	0.0	-62.72	333.65	-0.59	-63.31
O=S(=O)(NCC1=CC=CC2=C1CC[NH2+]C2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331558	0	40	0.0	-61.49	354.45	4.09	-57.40
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1C[C@@H]2C[C@H]1C[NH2+]2	REAL300024331559	0	31	0.0	-54.67	288.34	2.13	-52.54
CC1CC([NH3+])CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331560	0	33	0.0	-58.92	300.24	1.40	-57.52
[NH3+]CC12CCC(CC1)N2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331561	0	37	0.0	-48.97	314.87	2.86	-46.11
CC1(C)C[NH2+]CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331562	0	42	0.0	-40.82	327.17	2.56	-38.26
CN(CCOCC[NH3+])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331563	0	36	0.0	-59.18	330.12	0.77	-58.41
[NH3+]C1CCCCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331564	0	39	0.0	-63.94	318.03	2.98	-60.96
CC1(C)CCC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[NH2+]C1	REAL300024331566	0	42	0.0	-42.21	350.78	3.56	-38.65
[NH3+]C(CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC1=CC=CC=C1	REAL300024331567	0	42	0.0	-44.73	374.27	3.85	-40.88
[NH3+][C@H]1C[C@@H](CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331568	0	33	0.0	-56.64	304.80	0.51	-56.13
[NH3+][C@H]1C[C@H](CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331569	0	33	0.0	-61.01	303.74	0.54	-60.47
C[C@H]([NH3+])CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331570	0	32	0.0	-42.88	296.41	0.03	-42.85
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC[NH2+]CC1	REAL300024331571	0	39	0.0	-53.08	328.91	2.63	-50.45
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC[NH2+]CC1	REAL300024331572	0	39	0.0	-60.79	341.21	2.54	-58.25
CC1(C)CC[NH2+]CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331573	0	39	0.0	-51.43	313.32	3.24	-48.19
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC2CCC1C1C[NH2+]CC12	REAL300024331574	0	41	0.0	-58.78	337.11	4.42	-54.36
O=S(=O)(NCC1=C2C[NH2+]CCN2N=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331575	1	37	0.0	-62.48	339.92	1.19	-61.29
CN(CC1=C2C[NH2+]CCN2N=C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331576	1	40	0.0	-74.88	354.69	2.88	-72.00
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC2[NH2+]CCC21	REAL300024331577	0	37	0.0	-53.70	316.24	3.32	-50.38
[NH3+]CC1CC2CCC1N(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331578	0	40	0.0	-51.62	334.73	3.11	-48.51
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC2C[NH2+]CCC21	REAL300024331579	0	40	0.0	-62.32	333.79	4.02	-58.30
COCCC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[NH2+]CC1	REAL300024331580	0	43	0.0	-49.81	346.11	2.20	-47.61
CC(C)(C)C1(C[NH3+])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331581	0	45	0.0	-61.45	358.01	3.34	-58.11
[NH3+]C1CC2CCC1N(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331582	0	37	0.0	-61.63	317.71	2.45	-59.18
[NH3+]CC1C2CCC1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331583	0	40	0.0	-61.77	333.03	3.02	-58.75
[NH3+]C[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331584	0	36	0.0	-57.11	307.67	1.92	-55.19
[NH3+]C1COCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331586	0	34	0.0	-50.99	306.99	-0.31	-51.30
C[NH2+]C[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331588	0	39	0.0	-52.41	329.50	3.84	-48.57
[NH3+]C[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331589	0	36	0.0	-57.42	309.70	2.00	-55.42
CN(C1(C[NH3+])CCCCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331590	0	42	0.0	-43.58	323.74	4.14	-39.44
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH2+]CCC12CCC2	REAL300024331591	0	40	0.0	-51.91	326.28	3.98	-47.93
CC(C)([NH3+])CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331592	0	35	0.0	-55.14	312.54	0.25	-54.89
N[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1[NH3+]	REAL300024331593	0	32	0.0	-59.36	299.57	-2.48	-61.84
CCC1([NH3+])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331595	0	39	0.0	-60.59	327.67	2.34	-58.25
O=S(=O)(NCC1CC2(CO1)CC[NH2+]CC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331597	0	44	0.0	-55.71	370.29	1.89	-53.82
O=S(=O)(NCC1CC2=CC=CC=C2C[NH2+]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331598	0	40	0.0	-45.11	354.43	4.60	-40.51
O=S(=O)(NC12CCCC1[NH2+]CC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331599	0	37	0.0	-49.63	316.40	2.13	-47.50
[NH3+][C@@H]1COCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331600	0	34	0.0	-56.93	309.46	-1.13	-58.06
O=S(=O)(NC1CCCCC12CC[NH2+]CC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331601	0	46	0.0	-65.65	366.44	3.96	-61.69
CN(CCCCCC[NH3+])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331602	0	41	0.0	-61.60	364.50	3.57	-58.03
C[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331603	0	37	0.0	-43.24	318.73	3.68	-39.56
[NH3+]CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1C(F)(F)F	REAL300024331604	0	36	0.0	-54.28	340.45	2.04	-52.24
[NH3+]C1CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331605	0	33	0.0	-61.04	303.74	0.54	-60.50
C[C@@]12C[NH2+]C[C@@H]1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331606	0	37	0.0	-51.39	325.71	2.86	-48.53
O=S(=O)(NC[C@]12CCC[C@H]1[NH2+]CC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331607	0	40	0.0	-49.38	337.48	2.89	-46.49
O=S(=O)(NCCCCCN1CC[NH2+]CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331608	0	47	0.0	-60.07	397.83	2.04	-58.03
O=S(=O)(NCCCCC[NH+]1CCNCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331608	1	47	0.0	-50.36	397.07	2.94	-47.42
O=S(=O)(NCCCCCC1CC[NH2+]CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331609	0	48	0.0	-60.39	402.67	5.07	-55.32
C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331610	0	36	0.0	-53.11	322.17	1.92	-51.19
O=S(=O)(NC1C[NH2+]CC2(CCOCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331611	0	44	0.0	-35.49	350.96	1.53	-33.96
C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331612	0	39	0.0	-47.68	342.37	2.64	-45.04
CCN(C1CC[NH2+]C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331613	0	36	0.0	-47.41	314.32	2.90	-44.51
[NH3+]C1CCN(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331614	0	41	0.0	-59.37	352.59	-0.82	-60.19
O=S(=O)(NC1CC[NH2+]C2(CCCCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331615	0	46	0.0	-49.47	372.84	4.24	-45.23
[NH3+][C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331616	0	33	0.0	-61.66	299.50	1.39	-60.27
CC1(C)CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1[NH3+]	REAL300024331617	0	36	0.0	-62.94	320.35	1.73	-61.21
O=S(=O)(NCC1C[NH2+]CCC1(F)F)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331618	0	36	0.0	-60.78	326.08	2.33	-58.45
C[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1CC[NH3+]	REAL300024331619	0	39	0.0	-58.22	346.06	2.53	-55.69
[NH3+]C1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331620	0	36	0.0	-56.56	321.62	1.14	-55.42
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCCC2(CC[NH2+]C2)C1	REAL300024331621	0	43	0.0	-55.41	346.12	4.41	-51.00
[NH3+]C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331622	0	33	0.0	-59.13	303.38	1.30	-57.83
[NH3+][C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331623	0	33	0.0	-64.46	309.12	0.34	-64.12
[NH3+][C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C(F)(F)F	REAL300024331624	0	33	0.0	-58.69	319.39	1.50	-57.19
C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331625	0	39	0.0	-52.46	331.41	3.85	-48.61
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1C(F)(F)F	REAL300024331626	0	36	0.0	-56.86	331.97	2.42	-54.44
C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331627	0	33	0.0	-41.53	296.48	1.27	-40.26
C[NH2+]CCN(C(C)C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331628	0	38	0.0	-42.72	333.20	3.54	-39.18
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2(C1)CCCC[NH2+]2	REAL300024331629	0	40	0.0	-39.99	340.28	3.83	-36.16
[NH3+][C@@H]1CC[C@H](CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331630	0	36	0.0	-56.94	321.34	1.10	-55.84
[NH3+]CC1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331631	0	33	0.0	-49.12	306.67	0.70	-48.42
[NH3+]CC12CCC1CCCN2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331632	0	40	0.0	-55.98	330.55	3.32	-52.66
CN(C1(C[NH3+])CCOCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331633	0	40	0.0	-30.35	311.63	2.58	-27.77
[NH3+]CC12CC(CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCC2	REAL300024331634	0	40	0.0	-66.05	331.13	3.16	-62.89
CC1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC[NH2+]1	REAL300024331635	0	36	0.0	-43.47	318.40	2.14	-41.33
[NH3+]C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331636	0	30	0.0	-47.70	288.28	-0.16	-47.86
[NH3+][C@@H]1C2=CC=CC=C2C[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331637	0	37	0.0	-44.33	336.43	2.52	-41.81
CC1(C)C[NH2+]CC1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331638	0	36	0.0	-57.10	324.73	1.89	-55.21
CC(C)(C[NH3+])C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331639	0	45	0.0	-69.46	362.06	3.60	-65.86
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCNCC[NH2+]CC1	REAL300024331641	0	38	0.0	-44.49	313.69	0.21	-44.28
[NH3+]C1(CO)CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331642	0	37	0.0	-53.52	320.30	-1.27	-54.79
[NH3+]CCC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331643	0	36	0.0	-66.88	325.49	2.00	-64.88
CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1C[NH3+]	REAL300024331644	0	39	0.0	-67.21	330.52	2.67	-64.54
C[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1[NH3+]	REAL300024331645	0	33	0.0	-54.60	304.73	1.12	-53.48
C[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C[NH3+]	REAL300024331646	0	36	0.0	-53.14	324.61	1.81	-51.33
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1C[C@H]2CC[NH2+]C[C@H]2C1	REAL300024331647	0	37	0.0	-55.53	319.51	2.98	-52.55
O=S(=O)(NCC12CCC1CC[NH2+]2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331648	0	37	0.0	-44.01	323.51	2.63	-41.38
O=S(=O)(NC1CCC[NH2+]CC1F)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331650	0	36	0.0	-57.38	320.06	2.03	-55.35
[NH3+]C[C@@H]1[C@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@H]21	REAL300024331651	0	34	0.0	-53.16	316.34	2.15	-51.01
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC23C[NH2+]CC2(C1)CCCC3	REAL300024331652	0	44	0.0	-66.61	356.83	4.06	-62.55
CC1(C[NH3+])CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331653	0	42	0.0	-65.88	349.31	2.26	-63.62
CC1([NH3+])CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331654	0	39	0.0	-51.22	324.43	1.21	-50.01
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCC2	REAL300024331655	0	37	0.0	-66.40	328.73	2.44	-63.96
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2CCC[NH2+]2)C1	REAL300024331656	0	40	0.0	-57.37	348.61	4.05	-53.32
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH2+]CC(O)C1	REAL300024331657	0	34	0.0	-57.01	303.04	-0.96	-57.97
CC1C[NH2+]CCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331658	0	39	0.0	-57.39	334.68	2.58	-54.81
O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331659	0	40	0.0	-61.56	358.58	3.38	-58.18
[NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331660	0	39	0.0	-57.73	337.94	1.77	-55.96
[NH3+][C@@H]1CCC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331661	0	36	0.0	-58.85	326.45	0.90	-57.95
O=S(=O)(N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331663	0	34	0.0	-38.00	296.30	2.06	-35.94
O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331664	0	34	0.0	-44.62	298.20	1.73	-42.89
CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331665	0	42	0.0	-68.90	367.17	3.86	-65.04
[NH3+]CC12CCC1CCN2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331666	0	37	0.0	-45.04	321.94	2.44	-42.60
[NH3+]C[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331667	0	33	0.0	-65.86	313.63	0.42	-65.44
[NH3+]C[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331668	0	33	0.0	-64.60	313.31	0.44	-64.16
COCCC1C[NH2+]CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331670	1	40	0.0	-53.32	342.56	1.83	-51.49
O=S(=O)(NC1CCC2CC1C[NH2+]2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331671	0	37	0.0	-49.55	306.12	2.65	-46.90
O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331672	0	40	0.0	-56.21	340.34	3.21	-53.00
[NH3+]C1CC2CC(C1)N(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331673	0	37	0.0	-64.13	321.94	2.35	-61.78
COCC1C[NH2+]CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331674	1	37	0.0	-48.52	303.69	1.54	-46.98
C[C@@H]([NH3+])C1=CC=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300024331676	0	39	0.0	-67.21	356.01	2.95	-64.26
O=C1C[NH2+][C@H]2CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@H]2N1	REAL300024331678	1	38	0.0	-58.30	332.83	0.42	-57.88
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC12CCC[NH2+]C2	REAL300024331679	0	40	0.0	-42.80	321.27	4.54	-38.26
O=S(=O)(N[C@@H]1C[NH2+]C[C@@H]1F)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331680	0	30	0.0	-40.52	279.41	0.81	-39.71
O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331681	0	37	0.0	-41.50	315.99	1.86	-39.64
[NH3+]CCC1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331682	0	36	0.0	-63.13	334.79	1.22	-61.91
CC(C)C(C)C([NH3+])CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331683	0	41	0.0	-51.14	342.93	1.69	-49.45
CCN(C1CC[NH2+]CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331684	0	39	0.0	-52.48	330.86	3.72	-48.76
CN(CC1CCC[NH2+]C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331685	0	39	0.0	-44.81	334.95	3.70	-41.11
C[NH2+]CCCCN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331686	0	38	0.0	-52.17	343.25	3.89	-48.28
O=S(=O)(NCCC1CCC[NH2+]CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331688	0	42	0.0	-50.94	349.46	3.11	-47.83
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCCC12CCC[NH2+]C2	REAL300024331689	0	43	0.0	-35.96	323.96	5.32	-30.64
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC[NH2+]CC1	REAL300024331690	0	45	0.0	-54.79	362.81	3.63	-51.16
O=S(=O)(NCC1CCC[NH2+]CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331691	0	39	0.0	-58.28	329.29	2.83	-55.45
CC1(C)CC[NH2+]CC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331692	0	42	0.0	-56.13	345.68	2.73	-53.40
CO[C@H]1C[C@@H](C[NH3+])N(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331693	0	37	0.0	-60.91	333.27	0.48	-60.43
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH2+]C(CCO)C1	REAL300024331694	1	37	0.0	-51.57	329.72	-0.15	-51.72
C[NH2+]CC(O)CN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331695	0	36	0.0	-47.99	328.50	0.04	-47.95
O=S(=O)(NC[C@H]1C[NH2+]C[C@H]1O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331696	0	34	0.0	-58.47	310.20	-1.89	-60.36
O=S(=O)(N[C@@H]1C[NH2+]C[C@@H]1O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331697	0	31	0.0	-44.50	285.79	-2.39	-46.89
[NH3+]CC1(CO)COCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331698	0	38	0.0	-49.76	323.03	-2.28	-52.04
COC(=O)C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1[NH3+]	REAL300024331700	0	36	0.0	-60.73	335.59	1.48	-59.25
[NH3+]C1CC12CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331701	0	34	0.0	-64.33	324.95	1.16	-63.17
O=S(=O)(NCC1(C2CC2)CC[NH2+]C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331702	0	40	0.0	-55.06	341.20	3.22	-51.84
[NH3+]CCN(CC1CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331703	0	36	0.0	-59.00	328.34	3.10	-55.90
CC1(C)C[NH2+]C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331704	0	39	0.0	-43.29	341.69	2.58	-40.71
COC(=O)C1([NH3+])CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331705	1	36	0.0	-61.48	343.85	0.23	-61.25
[NH3+]C1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2=CC=CC=C21	REAL300024331706	0	40	0.0	-63.64	347.55	3.44	-60.20
CC1CCC(C[NH3+])N(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331707	0	39	0.0	-57.13	326.30	2.49	-54.64
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC([NH2+]CCO)C1	REAL300024331708	0	37	0.0	-47.18	336.73	-0.05	-47.23
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2CC[NH2+]CC2C1	REAL300024331709	0	40	0.0	-59.12	339.10	4.03	-55.09
[NH3+]C1(C2CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)CCC1	REAL300024331710	0	43	0.0	-58.98	360.42	3.95	-55.03
CN(CC1CC[NH2+]CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331711	0	39	0.0	-50.45	332.55	4.20	-46.25
[NH3+][C@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331713	0	36	0.0	-53.42	311.22	0.91	-52.51
O=S(=O)(NC1CC2C[NH2+]C(C2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331714	0	37	0.0	-38.38	306.03	2.47	-35.91
O=S(=O)(NCC1CC12CC[NH2+]CC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331715	0	40	0.0	-50.52	347.59	3.31	-47.21
O=S(=O)(NCCC1CSCC[NH2+]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331716	0	37	0.0	-41.25	337.48	2.76	-38.49
CC1(C)C([NH3+])CC1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331717	0	36	0.0	-58.71	325.52	1.12	-57.59
[NH3+]C12CC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)C2	REAL300024331718	0	31	0.0	-61.48	299.83	-0.09	-61.57
[NH3+]CC12CC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)C2	REAL300024331719	0	34	0.0	-66.03	321.62	0.86	-65.17
[NH3+]C1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C12CCC2	REAL300024331720	0	37	0.0	-65.97	336.37	1.71	-64.26
CC1C2CCC(CC1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[NH2+]2	REAL300024331721	0	40	0.0	-57.61	339.41	2.66	-54.95
CC1(C)C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2CCC[NH2+]C21	REAL300024331722	0	43	0.0	-56.88	362.81	3.90	-52.98
[NH3+]C1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C12CCOCC2	REAL300024331723	0	41	0.0	-59.19	345.95	0.98	-58.21
O=S(=O)(NC1CC[NH2+]CCC1(F)F)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331724	0	36	0.0	-61.37	325.87	2.16	-59.21
[NH3+]CC1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300024331725	0	36	0.0	-64.03	338.22	2.21	-61.82
[NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331726	0	39	0.0	-48.68	337.87	2.06	-46.62
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2CC[NH2+]CC2)CC1	REAL300024331727	0	46	0.0	-63.81	376.56	5.35	-58.46
[NH3+]CC1CCCC12CCN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300024331728	0	46	0.0	-59.40	370.09	3.96	-55.44
O=S(=O)(NC1CC2C[NH2+]CC21)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331729	0	34	0.0	-59.17	314.02	1.65	-57.52
O=S(=O)(NCCC1CCCC[NH2+]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331730	0	39	0.0	-37.95	338.20	2.98	-34.97
O=S(=O)(NC1CCC2CC[NH2+]C1C2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331731	0	40	0.0	-43.95	322.74	2.70	-41.25
[NH3+]CCC1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331732	0	36	0.0	-63.13	334.79	1.22	-61.91
CN(C1CCC[NH2+]C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331733	0	36	0.0	-48.91	314.00	3.01	-45.90
CO[C@@H]1C[C@@H](C[NH3+])N(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331734	0	37	0.0	-63.83	333.47	0.42	-63.41
[NH3+]C1(C2=CC=CC=C2)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331735	0	40	0.0	-56.01	355.81	4.01	-52.00
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCOCC2	REAL300024331736	0	41	0.0	-68.15	347.59	1.00	-67.15
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2CCC[NH2+]2)C1	REAL300024331737	0	40	0.0	-57.37	348.61	4.05	-53.32
O=S(=O)(NC1C[NH2+]CC12CCOCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331738	0	41	0.0	-64.13	351.47	1.06	-63.07
[NH3+][C@@H]1CCOC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331739	0	34	0.0	-61.85	310.49	-1.26	-63.11
O=S(=O)(NC12CC1C[NH2+]CCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331740	0	37	0.0	-62.11	325.19	2.57	-59.54
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCCC12CC[NH2+]CC2	REAL300024331741	0	43	0.0	-41.24	325.49	3.73	-37.51
CC[NH2+]CCN(CC)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331742	0	38	0.0	-52.20	341.39	3.95	-48.25
CC1(C)CC([NH3+])CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331743	0	39	0.0	-63.63	335.85	2.53	-61.10
CC1(C)C[NH2+][C@H](CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331744	0	39	0.0	-44.03	340.17	2.75	-41.28
[NH3+]C1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331745	0	30	0.0	-59.12	291.70	-0.25	-59.37
O=S(=O)(NC[C@]12CC[C@H]1CCC[NH2+]2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331746	0	40	0.0	-43.78	336.90	3.33	-40.45
[NH3+]C1CC12CCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300024331747	0	40	0.0	-58.41	351.65	2.34	-56.07
[NH3+]C1CC(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331748	0	36	0.0	-60.15	326.31	1.29	-58.86
O=S(=O)(NC1C2CCCC[NH2+]C21)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331750	0	37	0.0	-52.86	331.89	2.80	-50.06
[NH3+][C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331751	0	31	0.0	-40.30	296.46	1.10	-39.20
[NH3+]CC12CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC1CCCC2	REAL300024331752	0	43	0.0	-57.09	350.87	3.05	-54.04
COC(=O)C1([NH3+])CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331753	1	39	0.0	-66.72	357.19	1.12	-65.60
[NH3+]C1CCOC2(CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)C1	REAL300024331754	0	44	0.0	-64.93	363.47	2.15	-62.78
CCOC(=O)C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1[NH3+]	REAL300024331755	0	42	0.0	-62.71	368.09	3.01	-59.70
C[NH2+]CCC1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331756	0	42	0.0	-55.75	350.80	4.45	-51.30
O=S(=O)(NCC1CC2(CC[NH2+]C2)CO1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331757	0	41	0.0	-55.20	355.33	1.20	-54.00
O=S(=O)(N[C@H]1CCCC[NH2+]C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331758	0	36	0.0	-50.71	317.81	1.86	-48.85
C[NH2+][C@H]1CC[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331759	0	39	0.0	-51.04	337.16	2.72	-48.32
[NH3+]C12CC(CNS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)C2	REAL300024331763	0	34	0.0	-59.98	314.01	0.93	-59.05
O=S(=O)(NCC1CCCC12CC[NH2+]CC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331765	0	46	0.0	-49.91	370.97	4.00	-45.91
O=S(=O)(NCCC[C@H]1CCC[NH2+]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331766	0	39	0.0	-51.60	343.85	3.13	-48.47
O=S(=O)(NCC1CC2(CCC2)C[NH2+]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331767	0	40	0.0	-45.46	348.82	3.25	-42.21
O=S(=O)(NCC1C[NH2+]CCC12CCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331768	0	43	0.0	-56.95	348.06	3.49	-53.46
CC1CC[NH2+]C1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331769	0	36	0.0	-45.88	314.95	2.03	-43.85
[NH3+]CC1CCCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331770	0	39	0.0	-57.31	330.48	2.68	-54.63
C[NH2+]C1CC2CCC(C1)N2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331771	0	40	0.0	-53.26	323.69	4.63	-48.63
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCCC12CC[NH2+]C2	REAL300024331772	0	40	0.0	-18.50	319.97	4.81	-13.69
C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331773	0	33	0.0	-58.71	294.99	1.63	-57.08
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH2+]CC1C1CC1	REAL300024331774	0	37	0.0	-58.33	317.94	3.42	-54.91
C[C@@H]1CCC[C@H](C[NH3+])N1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331775	0	39	0.0	-52.51	314.70	2.67	-49.84
CCN(C1CCC[NH2+]C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331776	0	39	0.0	-41.96	330.97	3.66	-38.30
CC1(C2CC2)C[NH2+]CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331777	0	40	0.0	-50.67	328.58	4.15	-46.52
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N(C1CC1)C1CCC[NH2+]C1	REAL300024331778	0	40	0.0	-58.38	336.03	4.48	-53.90
O=S(=O)(NC1C2CCC[NH2+]C21)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331779	0	34	0.0	-54.39	315.05	1.92	-52.47
COC(=O)[C@@]1([NH3+])C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331780	1	36	0.0	-60.91	344.43	0.28	-60.63
O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331781	0	37	0.0	-50.96	318.81	2.16	-48.80
[NH3+][C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331782	0	33	0.0	-51.06	299.49	1.36	-49.70
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC2(CCC2)C1	REAL300024331783	0	40	0.0	-52.61	344.85	3.03	-49.58
CC(C)(CN1CC[NH2+]CC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331784	0	44	0.0	-57.69	362.26	1.76	-55.93
O=S(=O)(NC1CCOC2(CC[NH2+]CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331785	0	44	0.0	-58.01	371.50	2.02	-55.99
CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1C[NH2+]CCO1	REAL300024331786	0	37	0.0	-50.30	321.30	0.70	-49.60
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC2(CCCC[NH2+]2)C1	REAL300024331787	0	43	0.0	-41.36	346.25	4.94	-36.42
CC[NH2+]C1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331788	0	39	0.0	-44.43	339.06	3.92	-40.51
O=S(=O)(NCC1CC2(CC2)C[NH2+]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331789	0	37	0.0	-45.02	331.96	2.94	-42.08
CC(C)(C)C[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1[NH3+]	REAL300024331790	0	45	0.0	-56.35	374.93	3.32	-53.03
O=S(=O)(NCC1CC2(C[NH2+]1)CCOCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331791	0	44	0.0	-47.87	369.26	1.80	-46.07
COC(=O)C1CC(C[NH3+])CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331792	0	42	0.0	-41.10	371.26	2.76	-38.34
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCOC2(CC[NH2+]C2)C1	REAL300024331793	0	38	0.0	-59.55	332.02	1.80	-57.75
O=S(=O)(NCC1C[NH2+]CCC12CCOC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331794	0	44	0.0	-60.39	361.19	1.44	-58.95
O=S(=O)(NC[C@@H]1C[C@H]2C[NH2+]C[C@@H]12)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331795	0	37	0.0	-57.33	326.65	2.46	-54.87
CC[NH2+]C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331796	0	39	0.0	-55.43	339.06	3.92	-51.51
O=S(=O)(NC1(C2CCC[NH2+]C2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331797	0	40	0.0	-53.23	338.39	3.10	-50.13
CC1CC[NH2+]CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331798	0	36	0.0	-52.65	303.58	2.81	-49.84
[NH3+]C[C@@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300024331799	0	37	0.0	-58.89	331.72	-0.34	-59.23
C[C@H]1C[NH2+]C[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331800	0	33	0.0	-40.28	292.03	1.53	-38.75
O=S(=O)(NC1CC2(C[NH2+]C2)N2C=CN=C12)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331801	0	38	0.0	-73.79	339.63	2.42	-71.37
[NH3+]C[C@@H]1COC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331802	0	34	0.0	-56.19	307.38	-1.39	-57.58
[NH3+]CC12CCC(CC1)CN2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331803	0	40	0.0	-40.93	326.33	3.23	-37.70
[NH3+]CC1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331804	0	39	0.0	-60.83	329.38	1.66	-59.17
CN1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C12CCC[NH2+]C2	REAL300024331805	0	45	0.0	-40.83	353.71	1.19	-39.64
C[NH2+]C1CCS(=O)(=NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331806	0	35	0.0	-87.01	332.81	1.04	-85.97
CC(CC1CC[NH2+]CC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331807	0	42	0.0	-56.20	358.22	3.78	-52.42
CC([NH3+])(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CN1C=CC=N1	REAL300024331808	0	39	0.0	-42.92	349.01	1.56	-41.36
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2(CCC[NH2+]2)CC1	REAL300024331809	0	40	0.0	-48.46	337.28	4.23	-44.23
[NH3+]C1(C2CCN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)CC1	REAL300024331811	0	40	0.0	-46.74	345.65	3.44	-43.30
N#CCCN(C1CC[NH2+]C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331812	0	37	0.0	-50.20	335.19	3.41	-46.79
CS(=O)(=NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC[NH2+]CC1	REAL300024331813	0	38	0.0	-82.15	350.83	1.88	-80.27
O=S(=O)(NC1CC[NH2+]C2(CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331814	0	37	0.0	-55.58	337.63	2.53	-53.05
O=S(=O)(NC1C[NH2+]CCOC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331815	0	34	0.0	-53.90	309.84	0.12	-53.78
[NH3+][C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C1CC1	REAL300024331816	0	37	0.0	-59.92	331.16	2.75	-57.17
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC23CCCC2(C[NH2+]C3)C1	REAL300024331817	0	41	0.0	-66.25	348.65	3.72	-62.53
[NH3+]CC1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCC2	REAL300024331818	0	40	0.0	-50.84	354.58	2.65	-48.19
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2[NH2+]CCCC2C1	REAL300024331820	0	40	0.0	-49.62	339.03	4.12	-45.50
O=S(=O)(NC1CCCC2CCC1[NH2+]2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331821	0	40	0.0	-45.60	322.72	2.63	-42.97
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[C@@H]2[NH2+]CCC[C@@H]2C1	REAL300024331823	0	40	0.0	-60.35	332.21	4.01	-56.34
[NH3+]C1CC2(C1)CCCCN2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331824	0	40	0.0	-62.50	338.33	2.91	-59.59
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH2+]CC12CCC2	REAL300024331825	0	37	0.0	-50.74	312.73	3.66	-47.08
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(C1)CCOCC2	REAL300024331826	0	41	0.0	-59.36	333.31	2.06	-57.30
CC1([NH3+])CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331827	0	33	0.0	-56.90	311.57	0.17	-56.73
CCN(CC(C)(C)C[NH3+])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331828	0	41	0.0	-56.44	332.01	3.62	-52.82
C[C@@H]1C[NH2+]C[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331829	0	33	0.0	-55.82	305.17	1.54	-54.28
O=S(=O)(NCC1CC2COCC2[NH2+]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331831	0	38	0.0	-44.50	332.32	0.88	-43.62
[NH3+][C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1CC1CC1	REAL300024331832	0	40	0.0	-64.32	356.00	3.33	-60.99
O=S(=O)(NCC12CC[NH2+]C1CCCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331833	0	43	0.0	-43.97	349.32	3.44	-40.53
COC(=O)[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C[NH3+]	REAL300024331834	0	39	0.0	-65.04	358.47	1.86	-63.18
O=S(=O)(NC1(C2CC[NH2+]C2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331835	0	37	0.0	-58.27	322.85	2.48	-55.79
CC1(C)CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1C[NH3+]	REAL300024331836	0	39	0.0	-53.34	339.51	2.13	-51.21
C[NH2+]CC1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300024331837	0	39	0.0	-58.27	359.96	4.08	-54.19
O=S(=O)(NCC1C2C[NH2+]C1CCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331839	0	40	0.0	-40.48	335.78	2.95	-37.53
O=S(=O)(NC1CC2(C1)CC[NH2+]CC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331840	0	40	0.0	-60.90	351.92	2.97	-57.93
CC(C)N(CC[NH3+])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331841	0	35	0.0	-47.35	311.46	1.66	-45.69
CC1(C)OC2(C[NH3+])CC1(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331842	0	41	0.0	-62.72	356.16	-0.20	-62.92
CN(CC1=C[NH2+]CCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331843	0	37	0.0	-55.32	326.67	4.46	-50.86
[NH3+][C@@H]1[C@H]2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@H]21	REAL300024331844	0	31	0.0	-62.92	296.92	1.43	-61.49
O=S(=O)(NC1CC2(C1)CC[NH2+]C2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331845	0	37	0.0	-51.81	331.43	2.47	-49.34
O=S(=O)(NC1C[NH2+]CC2(CCC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331846	0	40	0.0	-33.17	334.78	2.94	-30.23
CC1(C)C[NH2+]CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331847	0	39	0.0	-32.36	324.74	2.32	-30.04
O=S(=O)(N[C@H]1CCC[C@H]1N1CC[NH2+]CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331848	0	45	0.0	-51.49	358.05	2.95	-48.54
C[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@@]1(C)C[NH3+]	REAL300024331849	0	39	0.0	-53.71	337.32	2.24	-51.47
CC1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[NH2+]1	REAL300024331850	0	33	0.0	-36.50	295.70	1.33	-35.17
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1C2CCCC1C[NH2+]CC2	REAL300024331851	0	40	0.0	-54.97	326.32	4.14	-50.83
O=S(=O)(NC1CCC2(CC[NH2+]C2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331852	0	43	0.0	-59.74	361.66	3.16	-56.58
CC([NH3+])C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCC1	REAL300024331854	0	45	0.0	-39.94	352.72	3.49	-36.45
C=CCC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC2CCC(C1)[NH2+]2	REAL300024331855	0	44	0.0	-52.53	334.50	4.49	-48.04
[NH3+]CC1CCC2(CCC2)C1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331856	0	43	0.0	-62.68	366.12	3.21	-59.47
CC1C[NH2+]C(C)CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331857	0	39	0.0	-43.31	326.95	4.03	-39.28
CN1CC[NH2+]C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331858	0	38	0.0	-43.08	332.86	-0.13	-43.21
[NH3+]C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1(F)F	REAL300024331859	0	36	0.0	-65.45	320.58	2.56	-62.89
CN(C1(C[NH3+])CCOC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331860	0	37	0.0	-43.39	312.91	0.45	-42.94
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH2+]CC12CC2	REAL300024331861	1	34	0.0	-57.58	305.84	2.92	-54.66
O=C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(C[NH2+]C2)C1	REAL300024331862	0	33	0.0	-50.22	301.59	1.78	-48.44
[NH3+]CC1=CC=C2C(=C1)CCC2NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331863	0	40	0.0	-71.74	367.45	3.29	-68.45
O=S(=O)(NC1CCC2C[NH2+]CCC2C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331864	0	43	0.0	-61.71	362.77	3.81	-57.90
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(CCOC2)C1	REAL300024331865	0	38	0.0	-59.67	327.85	0.41	-59.26
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(CCC2)C1	REAL300024331866	0	37	0.0	-59.99	324.19	2.38	-57.61
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(C1)CCCCC2	REAL300024331867	0	43	0.0	-58.15	341.22	3.75	-54.40
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(CCCC2)C1	REAL300024331868	0	40	0.0	-58.94	328.99	3.02	-55.92
O=S(=O)(NC1C[NH2+]CC2(CC2)C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331869	0	37	0.0	-56.15	337.27	2.56	-53.59
[NH3+]C[C@@H]1CCC[C@H](CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331870	0	42	0.0	-63.29	356.21	2.53	-60.76
O=S(=O)(NC1CC2C[NH2+]CC2C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331871	0	37	0.0	-58.61	329.31	2.27	-56.34
O=S(=O)(N[C@H]1C[NH2+]CC[C@H]1F)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331872	0	33	0.0	-55.88	310.07	1.36	-54.52
[NH3+]CC12CC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)C1(COC1)O2	REAL300024331873	0	40	0.0	-68.17	357.50	-2.02	-70.19
C=CCC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[NH2+]C1	REAL300024331874	0	37	0.0	-36.66	313.25	2.40	-34.26
O=S(=O)(NC12CCCC1[NH2+]CCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331875	0	40	0.0	-49.71	319.93	3.58	-46.13
COC(=O)C1(C[NH3+])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331876	0	42	0.0	-63.27	359.24	2.67	-60.60
[NH3+]CC1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1	REAL300024331877	0	36	0.0	-49.30	317.68	1.21	-48.09
O=S(=O)(NCC1(F)CC[NH2+]CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331878	0	36	0.0	-56.16	322.07	2.17	-53.99
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC[NH2+]CC1	REAL300024331879	0	42	0.0	-58.22	341.79	2.62	-55.60
[NH3+]CC12CC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)CO2	REAL300024331880	0	35	0.0	-58.83	325.86	-1.09	-59.92
C=CCC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC[NH2+]C1	REAL300024331881	0	40	0.0	-48.79	319.83	3.77	-45.02
[NH3+]CC12CC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)C1(CCC1)O2	REAL300024331882	0	42	0.0	-63.88	366.70	0.68	-63.20
C=CCC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[NH2+]CC1	REAL300024331883	0	40	0.0	-49.12	329.53	3.79	-45.33
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH2+]CC1C1CCC1	REAL300024331884	0	40	0.0	-54.23	327.53	3.67	-50.56
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(N2CC[NH2+]CC2)CC1	REAL300024331885	0	45	0.0	-56.42	366.78	2.20	-54.22
CC1(C)CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C[NH3+])C1	REAL300024331886	0	45	0.0	-57.27	358.16	2.82	-54.45
O=S(=O)(N[C@@H]1C[C@@H]2[NH2+]CC[C@H]12)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331887	0	34	0.0	-58.55	311.50	1.95	-56.60
CCCC1([NH3+])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331888	0	42	0.0	-52.66	347.60	3.16	-49.50
[NH3+]C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCC2	REAL300024331889	0	40	0.0	-64.40	336.84	3.26	-61.14
CC1(C[NH3+])CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331890	0	39	0.0	-61.51	329.53	2.79	-58.72
NC(=O)C1([NH3+])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331891	0	37	0.0	-75.74	325.53	-2.04	-77.78
[NH3+]C1CCCC12CCN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300024331892	0	43	0.0	-67.11	351.19	3.75	-63.36
[NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331893	0	33	0.0	-54.21	304.32	0.93	-53.28
O=S(=O)(NC1(CF)CC[NH2+]C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331894	0	33	0.0	-40.85	297.60	1.69	-39.16
O=S(=O)(NC1CCNC2=[NH+]C=CC=C21)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331895	1	36	0.0	-41.22	325.09	3.12	-38.10
CN(CC1COCC[NH2+]1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331896	1	37	0.0	-31.55	324.15	2.64	-28.91
CC1(C[NH3+])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331897	0	39	0.0	-62.72	325.77	2.50	-60.22
O=S(=O)(NC1CC1C1CCC[NH2+]C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331898	0	40	0.0	-60.35	353.46	3.83	-56.52
CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC[NH2+]C1	REAL300024331899	0	36	0.0	-47.19	311.81	1.81	-45.38
[NH3+]CC1CC2CC1CC2NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331900	0	40	0.0	-47.75	332.43	2.02	-45.73
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(C1)CCCOC2	REAL300024331901	0	41	0.0	-61.88	336.79	2.71	-59.17
O=S(=O)(NC1CCCC2C[NH2+]CC21)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331902	0	40	0.0	-53.20	336.00	2.82	-50.38
CN(C1CCCC([NH3+])C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331903	0	39	0.0	-62.23	322.81	2.14	-60.09
CC(C)C([NH3+])C(C)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331904	0	38	0.0	-45.91	317.35	1.37	-44.54
CC1OC2(C[NH3+])CC1(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331905	0	38	0.0	-63.56	343.70	-0.45	-64.01
[NH3+]CC12CCC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(CC1)CO2	REAL300024331906	0	41	0.0	-64.43	341.92	0.11	-64.32
[NH3+]CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1F	REAL300024331907	0	36	0.0	-48.73	334.93	2.80	-45.93
[NH3+]CC1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300024331908	0	39	0.0	-48.60	332.13	1.94	-46.66
O=C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(CC[NH2+]CC2)N1	REAL300024331909	0	38	0.0	-63.86	334.32	0.47	-63.39
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(C1)CCCCCC2	REAL300024331910	0	46	0.0	-55.58	348.06	4.10	-51.48
O=S(=O)(NC1CCCCC12CC[NH2+]C2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331911	0	43	0.0	-55.14	355.70	3.48	-51.66
C[C@@]1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC[NH2+]1	REAL300024331912	0	36	0.0	-43.48	318.54	2.18	-41.30
C[C@]1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC[NH2+]1	REAL300024331913	0	36	0.0	-42.73	317.51	2.25	-40.48
[NH3+]CC12CCC(CNS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(CC1)OC2	REAL300024331914	0	44	0.0	-72.77	363.68	1.22	-71.55
O=S(=O)(NCC12CCCC1[NH2+]CCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331915	0	43	0.0	-39.97	349.98	3.57	-36.40
[NH3+]CCOCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331916	0	33	0.0	-54.64	311.38	-1.28	-55.92
O=S(=O)(NCC1CCCC[NH2+]C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331917	0	39	0.0	-49.57	329.88	2.67	-46.90
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCOC2(CCC[NH2+]C2)C1	REAL300024331918	0	41	0.0	-50.94	346.94	2.71	-48.23
[NH3+]CCC1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331919	0	39	0.0	-58.99	335.42	1.79	-57.20
O=S(=O)(NCC1CC2CCC1[NH2+]2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331920	0	37	0.0	-40.59	322.90	2.37	-38.22
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[NH2+]C2CCCCC21	REAL300024331921	0	40	0.0	-53.06	333.56	4.03	-49.03
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2COCC12	REAL300024331922	0	35	0.0	-59.66	311.74	-0.03	-59.69
O=S(=O)(NC1C[NH2+]C2(C1)CCOCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331923	0	41	0.0	-51.55	356.31	1.34	-50.21
O=S(=O)(N[C@H]1[C@@H]2[NH2+]CC[C@H]12)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331924	0	31	0.0	-53.97	300.36	1.42	-52.55
O=S(=O)(NC1CCC2C[NH2+]CC21)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331925	0	37	0.0	-53.89	318.99	2.92	-50.97
[NH3+]C(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCC1	REAL300024331926	0	36	0.0	-50.57	321.70	1.44	-49.13
[NH3+]C12CCC(CNS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(CC1)OC2	REAL300024331927	0	41	0.0	-68.09	349.30	0.38	-67.71
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCC[NH2+]1	REAL300024331928	0	39	0.0	-51.62	327.39	2.42	-49.20
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCC[NH2+]1	REAL300024331929	0	42	0.0	-37.27	348.14	3.51	-33.76
COCCC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[NH2+]C1	REAL300024331930	0	40	0.0	-41.40	331.12	1.23	-40.17
O=S(=O)(NCC1C[NH2+]C2(CCC2)CO1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331931	0	41	0.0	-49.08	356.24	1.59	-47.49
CC1(C)[NH2+]CCC1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331932	0	39	0.0	-46.76	334.84	2.30	-44.46
[NH3+][C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331933	0	30	0.0	-41.82	286.62	0.14	-41.68
O=S(=O)(NC[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331934	0	36	0.0	-50.95	338.88	2.23	-48.72
[NH3+][C@H]1C[C@](F)(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331935	0	33	0.0	-56.88	307.65	0.69	-56.19
O=S(=O)(NCC=C1CC[NH2+]CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331936	0	37	0.0	-55.37	328.30	2.66	-52.71
O=S(=O)(NC[C@]12CCCC[C@@H]1[NH2+]CCC2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331937	0	46	0.0	-42.93	362.30	4.18	-38.75
CC(C)(C)C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[NH2+]C1	REAL300024331938	0	45	0.0	-56.12	356.83	3.22	-52.90
[NH3+]C1COC2(C1)CCN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300024331940	0	41	0.0	-67.99	351.66	1.65	-66.34
O=S(=O)(NCC12CCC(CC1)[NH2+]C2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331941	0	40	0.0	-51.15	336.25	3.02	-48.13
[NH3+]C12CCC(CNS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)OC2	REAL300024331942	0	38	0.0	-67.63	335.11	-0.30	-67.93
O=S(=O)(NCC1C[NH2+]CCOC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331944	0	37	0.0	-50.59	323.41	0.53	-50.06
[NH3+]CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(F)(F)F	REAL300024331945	0	32	0.0	-54.51	307.12	0.63	-53.88
CC1CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[NH2+]1	REAL300024331946	0	36	0.0	-49.86	322.02	1.97	-47.89
O=S(=O)(NCC1CC[NH2+]CCC1(F)F)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331947	0	39	0.0	-66.77	336.66	2.61	-64.16
CCCC([NH3+])CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331949	0	41	0.0	-57.27	357.91	2.40	-54.87
[NH3+]CC=CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331950	0	30	0.0	-60.05	291.00	-0.05	-60.10
[NH3+]CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2(C1)CCOCC2	REAL300024331951	0	44	0.0	-54.79	352.47	2.57	-52.22
[NH3+]C1(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1	REAL300024331952	0	36	0.0	-39.51	321.16	1.24	-38.27
[NH3+]CC1CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CO1	REAL300024331953	0	37	0.0	-58.08	333.02	-0.47	-58.55
O=S(=O)(NC[C@@H]1CCC[NH2+]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331954	0	33	0.0	-44.64	300.36	1.57	-43.07
O=S(=O)(NC[C@H]1CCC[NH2+]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331956	0	33	0.0	-44.32	301.42	1.45	-42.87
[NH3+]CCN1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331957	0	38	0.0	-63.21	333.24	-0.21	-63.42
CN(C[C@@H]1CCC[NH2+]1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331958	0	36	0.0	-44.74	319.02	3.65	-41.09
CN(CC1CC[NH2+]C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331959	0	36	0.0	-54.38	308.73	2.79	-51.59
CC1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC([NH3+])C1	REAL300024331960	0	36	0.0	-57.68	321.15	1.08	-56.60
[NH3+]C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC2=CC=CC=C21	REAL300024331961	0	37	0.0	-49.81	333.71	3.57	-46.24
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1	REAL300024331962	0	37	0.0	-53.01	318.24	3.40	-49.61
O=S(=O)(NCC1[NH2+]CCC1C1CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331963	0	40	0.0	-46.75	338.66	3.54	-43.21
[NH3+]CC12CC(CNS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)CO2	REAL300024331964	0	38	0.0	-62.47	343.02	-0.16	-62.63
[NH3+]CC12CCC(CNS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(CC1)CO2	REAL300024331965	0	44	0.0	-65.21	364.23	1.31	-63.90
[NH3+]C[C@@]1(F)C[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331966	0	33	0.0	-62.37	316.43	0.59	-61.78
CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC(C)C1[NH3+]	REAL300024331967	0	39	0.0	-64.50	329.72	2.75	-61.75
[NH3+][C@H]1CCCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331968	0	36	0.0	-46.53	305.81	1.27	-45.26
[NH3+][C@@H]1CCCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331969	0	36	0.0	-58.43	318.08	1.18	-57.25
CC[C@@H]1C[NH2+]C[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331970	0	36	0.0	-48.56	324.89	2.10	-46.46
O=S(=O)(NC1CCCCC12CCC[NH2+]C2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331971	0	46	0.0	-40.87	352.86	4.17	-36.70
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CC2C[NH2+]C(C2)C1	REAL300024331972	0	34	0.0	-46.16	301.89	3.03	-43.13
O=S(=O)(NC1CC2(C1)CCC[NH2+]C2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331973	0	40	0.0	-56.70	351.59	2.99	-53.71
[NH3+]CC1(F)CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331974	0	36	0.0	-68.30	321.32	2.14	-66.16
CN([C@@H]1[C@H]2C[NH2+]C[C@H]21)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331975	0	34	0.0	-48.35	311.37	2.91	-45.44
[NH3+]C1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300024331976	0	36	0.0	-64.19	314.42	2.27	-61.92
[NH3+]C1CCCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331977	0	36	0.0	-59.80	314.96	2.23	-57.57
[NH3+][C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C(F)F	REAL300024331978	0	33	0.0	-53.83	313.58	1.37	-52.46
CC(CC1CC2CCC(C1)[NH2+]2)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331979	0	46	0.0	-48.08	354.46	3.90	-44.18
[NH3+]C12CCC(CC1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300024331980	0	37	0.0	-45.99	316.33	1.53	-44.46
O=S(=O)(N[C@@H]1[C@H]2C[C@@H]1[NH2+]C2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331981	0	31	0.0	-50.92	294.03	1.18	-49.74
O=S(=O)(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)[NH2+]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331982	0	38	0.0	-55.89	329.35	2.65	-53.24
[NH3+]C[C@@]1(F)C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300024331983	0	33	0.0	-60.78	318.63	0.52	-60.26
CCN(C[C@@H](C)[NH3+])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331984	0	35	0.0	-36.75	312.31	2.86	-33.89
CC1(C)[NH2+][C@H](CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CO1	REAL300024331985	0	37	0.0	-41.06	332.56	0.27	-40.79
[NH3+]C1CC2(C1)CCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300024331987	0	43	0.0	-63.08	354.66	2.57	-60.51
CC1(C)CC([NH3+])CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331988	0	36	0.0	-57.17	318.60	1.98	-55.19
CC1CCC(C[NH3+])CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331990	0	39	0.0	-53.12	331.95	2.64	-50.48
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2CC[NH2+]CC21	REAL300024331991	0	37	0.0	-38.51	320.11	3.25	-35.26
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1C2CCCC1C[NH2+]C2	REAL300024331992	0	37	0.0	-49.01	312.98	3.75	-45.26
[NH3+]C1CC2COCC(C1)C2NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331993	0	41	0.0	-49.18	330.66	0.89	-48.29
O=S(=O)(NC1C[NH2+]CCC2=CC=CC=C21)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331994	0	40	0.0	-53.11	334.58	5.06	-48.05
O=S(=O)(NC1CCC2(CC1)C[NH2+]CCO2)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331995	0	44	0.0	-56.37	355.93	2.20	-54.17
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCOCC12C[NH2+]CCOC2	REAL300024331997	0	42	0.0	-52.22	333.17	2.88	-49.34
CCN(CC(C)[NH3+])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331998	0	35	0.0	-41.86	310.84	2.63	-39.23
CC1(C)C(C[NH3+])CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024331999	0	39	0.0	-72.86	335.32	2.43	-70.43
CC(CC[NH3+])N(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024332000	0	35	0.0	-55.60	313.51	1.92	-53.68
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC2(CC1)COCC[NH2+]2	REAL300024332001	0	41	0.0	-50.32	341.76	2.54	-47.78
CCN(C1CCC([NH3+])CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024332002	0	42	0.0	-60.13	351.80	3.39	-56.74
CN(C[C@H]1CCC[NH2+]1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024332003	0	36	0.0	-31.01	308.50	4.03	-26.98
CN(CC1CCC[NH2+]1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024332004	0	36	0.0	-31.08	308.53	4.05	-27.03
O=S(=O)(NC1(C2CCC[NH2+]2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024332005	0	37	0.0	-45.90	322.46	2.49	-43.41
CC1(C)CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[NH2+]1	REAL300024332006	0	39	0.0	-41.29	325.05	2.26	-39.03