O=C([O-])C1CCS(=O)(=NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005728160	1	49	0.0	-70.60	389.21	8.26	-62.34
O=C([O-])C1CCS(=O)(=NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005728160	1	49	0.0	-62.71	384.37	8.05	-54.66
O=C([O-])C1CCS(=O)(=NC(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300005728161	0	50	0.0	-79.44	388.82	7.69	-71.75
C[NH+]1CCN(C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300005728188	1	54	0.0	-64.82	420.01	6.90	-57.92
O=C([O-])C1CCS(=O)(=NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300005728207	0	55	0.0	-73.36	428.67	9.86	-63.50
O=C([O-])C1CCS(=O)(=NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300005728207	1	55	0.0	-74.17	428.62	9.81	-64.36
C[NH+](C)CC1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=N1	REAL300005728230	1	44	0.0	-78.46	357.88	5.83	-72.63
CCC[NH+](CCC)CCCC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728239	0	53	0.0	-70.95	406.66	8.04	-62.91
CC(C)C1=[NH+]C=CN1CC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728254	1	43	0.0	-62.25	349.85	6.54	-55.71
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300005728272	0	49	0.0	-81.28	388.66	8.46	-72.82
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300005728280	0	52	0.0	-74.96	406.30	9.23	-65.73
CC[NH+]1CCC(N2CCC(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)CC2)CC1	REAL300005728286	0	60	0.0	-71.50	432.88	6.42	-65.08
C[NH+](C)CC1(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC1	REAL300005728288	0	42	0.0	-61.45	327.13	6.28	-55.17
C[NH+](C)CCCCC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728298	0	44	0.0	-74.15	349.46	5.96	-68.19
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300005728330	0	52	0.0	-81.84	405.99	9.19	-72.65
O=C([O-])C1CCS(=O)(=NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300005728344	1	45	0.0	-80.23	369.07	5.92	-74.31
C[NH+](C)CCC1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=C1	REAL300005728345	0	48	0.0	-84.72	387.23	8.22	-76.50
COCCOCC[N@H+](C)CCC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728423	0	52	0.0	-63.18	411.73	4.42	-58.76
COCCOCC[N@@H+](C)CCC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728423	1	52	0.0	-63.92	409.12	4.36	-59.56
C[N@@H+]1CCCC(O)(CC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005728427	0	46	0.0	-62.60	348.28	3.80	-58.80
C[N@H+]1CCCC(O)(CC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005728427	1	46	0.0	-66.26	354.41	3.84	-62.42
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300005728466	1	37	0.0	-76.80	316.53	7.43	-69.37
CC(C)[NH+]1CCN(CCC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC1	REAL300005728498	0	53	0.0	-71.72	399.46	5.00	-66.72
CC(C)[NH+]1CCN(CCCC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC1	REAL300005728499	0	56	0.0	-69.73	418.34	5.73	-64.00
C[NH+](C)CCN1C=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=N1	REAL300005728502	0	45	0.0	-76.34	367.10	5.25	-71.09
O=C([O-])C1CCS(=O)(=NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005728543	0	52	0.0	-68.19	406.45	8.93	-59.26
O=C([O-])C1CCS(=O)(=NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005728543	1	52	0.0	-67.36	406.42	8.87	-58.49
C[NH+](C)CCN1C=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=N1	REAL300005728558	0	45	0.0	-78.70	366.28	5.16	-73.54
C[NH+](C)CCN1N=CC=C1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728559	0	45	0.0	-81.59	358.44	5.54	-76.05
C[C@@H]1[C@H](C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC[N@@H+]1C	REAL300005728565	1	42	0.0	-63.89	318.42	4.78	-59.11
C[C@@H]1[C@H](C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC[N@H+]1C	REAL300005728565	1	42	0.0	-64.45	323.92	4.97	-59.48
CCC1=[NH+]C=CN1C(C)CC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728567	1	46	0.0	-63.67	367.44	6.90	-56.77
CC[C@@H]1[C@@H](C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC[N@@H+]1C	REAL300005728570	0	45	0.0	-63.43	340.24	5.45	-57.98
CC[C@@H]1[C@@H](C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC[N@H+]1C	REAL300005728570	1	45	0.0	-69.72	349.84	6.07	-63.65
C[N@@H+]1CCCC1C1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=NN1	REAL300005728573	1	46	0.0	-80.40	368.00	4.76	-75.64
C[N@H+]1CCCC1C1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=NN1	REAL300005728573	1	46	0.0	-81.03	371.06	4.81	-76.22
O=C([O-])C1CCS(=O)(=NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300005728662	0	52	0.0	-61.41	386.79	7.67	-53.74
O=C([O-])C1CCS(=O)(=NC(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300005728662	1	52	0.0	-60.47	387.50	7.58	-52.89
C[N@@H+]1CCCC1CCC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728669	0	45	0.0	-63.43	342.75	5.70	-57.73
C[N@H+]1CCCC1CCC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728669	1	45	0.0	-69.67	346.04	5.85	-63.82
O=C([O-])C1CCS(=O)(=NC(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300005728681	1	46	0.0	-72.02	343.09	5.93	-66.09
CN1C=C(C2C[N@H+](C)CCC2C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=N1	REAL300005728699	1	52	0.0	-68.76	393.59	6.12	-62.64
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=N1	REAL300005728699	1	52	0.0	-71.03	398.15	6.01	-65.02
C[NH+]1CCN(CC2=CC=CC(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)=C2)CC1	REAL300005728703	0	54	0.0	-72.34	420.23	6.71	-65.63
C[NH+]1CCN(CC2=CC=C(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300005728704	0	54	0.0	-80.59	422.47	6.62	-73.97
CC[NH+](CC)CCOC1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=C1	REAL300005728706	0	55	0.0	-80.44	425.79	8.26	-72.18
CC(C)[NH+]1CCC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC1	REAL300005728714	0	48	0.0	-72.10	363.92	6.64	-65.46
O=C([O-])C1CCS(=O)(=NC(=O)C23CC[NH+](CC2)C3)CC1	REAL300005728794	1	40	0.0	-71.91	313.11	4.27	-67.64
O=C([O-])C1CCS(=O)(=NC(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300005728803	1	43	0.0	-66.67	325.62	5.11	-61.56
O=C([O-])C1CCS(=O)(=NC(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300005728803	1	43	0.0	-66.35	322.85	4.99	-61.36
C[NH+](C)CC1=CC=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=C1	REAL300005728856	0	45	0.0	-76.55	364.77	7.38	-69.17
O=C([O-])C1CCS(=O)(=NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300005728857	1	52	0.0	-59.69	396.79	9.02	-50.67
O=C([O-])C1CCS(=O)(=NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300005728857	1	52	0.0	-58.76	396.06	9.01	-49.75
C[NH+](C)CC1=CC=CC=C1C(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728932	1	45	0.0	-57.87	354.74	7.39	-50.48
CC[NH+]1CCN(CCC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC1	REAL300005728934	0	50	0.0	-73.42	382.71	4.48	-68.94
CC(C)C1=[NH+]C=CN1CCC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728947	1	46	0.0	-64.19	369.56	6.98	-57.21
C[NH+](C)CC1=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300005728948	0	48	0.0	-64.83	381.05	7.34	-57.49
CC1=C(C)[NH+]=C(CCC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)N1	REAL300005729686	1	43	0.0	-64.62	354.34	5.11	-59.51
O=C([O-])C1CCS(=O)(=NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300005730297	0	55	0.0	-72.46	421.16	9.63	-62.83
C[NH+](C)[C@H]1C[C@H](C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005730342	0	42	0.0	-69.72	331.03	5.47	-64.25
C[NH+](C)[C@H]1CC[C@@H](C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CC1	REAL300005730346	0	48	0.0	-64.79	354.69	6.29	-58.50
CC(C)C[N@@H+]1CCCC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005730414	0	51	0.0	-56.45	378.75	7.62	-48.83
CCN1CCCC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005730415	0	45	0.0	-55.47	337.24	6.10	-49.37
CC[N@@H+]1CCCC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005730415	1	45	0.0	-55.39	337.22	6.10	-49.29
CC[N@H+]1CCCC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005730415	1	45	0.0	-55.39	337.22	6.10	-49.29
CN1CCCC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005730419	0	42	0.0	-63.43	323.34	5.52	-57.91
C[N@@H+]1CCCC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005730419	1	42	0.0	-63.21	326.35	5.28	-57.93
C[N@H+]1CCCC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005730419	1	42	0.0	-63.21	326.35	5.28	-57.93
CN(C)CC1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)O1	REAL300005730421	0	42	0.0	-72.14	346.34	5.50	-66.64
C[NH+](C)CC1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)O1	REAL300005730421	1	42	0.0	-72.14	346.34	5.50	-66.64
C[N@@H+]1CCCC(C(C)(C)C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005730427	0	51	0.0	-68.98	365.16	6.25	-62.73
C[N@H+]1CCCC(C(C)(C)C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005730427	1	51	0.0	-68.98	365.16	6.25	-62.73
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C3OCCCC3=C2)C1	REAL300005730510	0	48	0.0	-48.33	364.20	8.03	-40.30
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300005730696	0	53	0.0	-42.25	404.14	13.58	-28.67
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC=C1Cl	REAL300005730835	0	49	0.0	-44.23	380.10	9.92	-34.31
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCC2(CCCOC2)O1	REAL300005730963	0	52	0.0	-47.96	380.60	5.80	-42.16
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562161	0	47	0.0	-81.80	371.26	6.17	-75.63
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562165	0	41	0.0	-89.96	333.74	6.90	-83.06
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565200	0	50	0.0	-73.33	376.62	7.01	-66.32
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565204	0	44	0.0	-76.64	338.01	7.62	-69.02
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565734	0	53	0.0	-88.77	432.64	7.06	-81.71
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007565739	0	47	0.0	-83.95	394.60	7.77	-76.18
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567162	0	49	0.0	-84.51	381.15	4.59	-79.92
CC(C)C(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007567166	0	43	0.0	-83.91	345.23	5.38	-78.53
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C=C1	REAL300007567669	0	50	0.0	-85.45	412.93	8.69	-76.76
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568745	0	40	0.0	-73.72	329.82	2.74	-70.98
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568971	0	43	0.0	-83.99	350.27	4.78	-79.21
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569309	0	49	0.0	-85.49	392.81	6.07	-79.42
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007569313	0	43	0.0	-66.90	352.80	6.69	-60.21
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569831	0	50	0.0	-73.75	388.83	6.19	-67.56
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569835	0	44	0.0	-75.81	351.77	6.86	-68.95
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571990	0	50	0.0	-81.48	387.82	6.11	-75.37
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007571994	0	44	0.0	-75.67	352.46	6.90	-68.77
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574157	0	43	0.0	-83.99	350.27	4.78	-79.21
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574501	0	50	0.0	-74.59	388.04	6.14	-68.45
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574505	0	44	0.0	-66.82	352.96	6.94	-59.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007575528	0	50	0.0	-72.08	396.47	5.50	-66.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007575532	0	44	0.0	-65.96	363.23	5.55	-60.41
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576655	0	46	0.0	-76.34	371.08	4.08	-72.26
CC(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007576658	0	40	0.0	-71.76	333.00	4.79	-66.97
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577657	0	50	0.0	-73.33	376.62	7.01	-66.32
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577661	0	44	0.0	-76.64	338.01	7.62	-69.02
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007578473	0	52	0.0	-86.32	388.54	6.24	-80.08
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007578477	0	46	0.0	-85.33	355.21	7.62	-77.71
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579199	0	50	0.0	-81.48	387.82	6.11	-75.37
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579203	0	44	0.0	-75.67	352.46	6.90	-68.77
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579790	0	50	0.0	-84.41	412.05	6.30	-78.11
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007579794	0	44	0.0	-79.91	373.11	6.98	-72.93
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580622	0	47	0.0	-73.50	386.14	3.40	-70.10
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580626	0	41	0.0	-75.57	348.06	4.11	-71.46
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596677	0	50	0.0	-89.47	376.95	5.23	-84.24
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596681	0	44	0.0	-89.59	341.72	6.18	-83.41
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597235	0	43	0.0	-76.32	351.87	3.38	-72.94
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597570	0	46	0.0	-71.54	356.96	3.52	-68.02
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597573	0	40	0.0	-72.27	317.02	4.38	-67.89
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007599145	0	49	0.0	-81.56	388.01	5.97	-75.59
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007599149	0	43	0.0	-72.89	352.98	6.78	-66.11
CCCC(C)(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007599680	0	52	0.0	-71.60	392.19	4.79	-66.81
CCCC(C)(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007599684	0	46	0.0	-78.61	349.26	5.63	-72.98
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602160	0	52	0.0	-70.99	402.73	6.72	-64.27
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007602164	0	46	0.0	-63.41	368.89	7.55	-55.86
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602754	0	47	0.0	-86.01	377.56	6.20	-79.81
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602758	0	41	0.0	-64.02	338.28	6.82	-57.20
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605166	0	49	0.0	-70.64	376.46	5.78	-64.86
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007605170	0	43	0.0	-62.93	341.47	6.57	-56.36
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605656	0	44	0.0	-63.11	381.69	7.33	-55.78
CCC(C)(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007606195	0	49	0.0	-85.80	368.45	4.41	-81.39
CCC(C)(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007606199	0	43	0.0	-76.97	327.78	4.85	-72.12
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606687	0	53	0.0	-61.69	404.06	6.53	-55.16
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606692	0	47	0.0	-81.31	369.42	7.32	-73.99
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607771	0	50	0.0	-82.42	382.90	6.24	-76.18
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007607775	0	44	0.0	-90.12	347.50	7.80	-82.32
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608355	0	52	0.0	-76.51	393.99	4.70	-71.81
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608359	0	46	0.0	-75.79	353.83	5.57	-70.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007608898	0	49	0.0	-70.83	388.15	6.24	-64.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007608902	0	43	0.0	-85.54	353.43	7.06	-78.48
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007609420	0	46	0.0	-85.07	366.96	5.48	-79.59
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007609423	0	40	0.0	-85.37	331.84	6.29	-79.08
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007609867	0	53	0.0	-73.00	416.64	5.09	-67.91
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007609871	0	47	0.0	-81.58	383.20	5.99	-75.59
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610500	0	52	0.0	-83.25	401.38	6.33	-76.92
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007610504	0	46	0.0	-73.67	363.15	7.06	-66.61
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613751	0	49	0.0	-73.43	369.13	3.95	-69.48
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613755	0	43	0.0	-70.47	330.47	4.83	-65.64
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629633	0	52	0.0	-61.94	404.27	5.35	-56.59
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629637	0	46	0.0	-60.51	365.74	6.05	-54.46
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007630221	0	52	0.0	-72.94	387.05	4.67	-68.27
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007630225	0	46	0.0	-70.08	346.46	5.53	-64.55
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630762	0	48	0.0	-73.50	371.49	4.70	-68.80
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630766	0	42	0.0	-71.18	328.41	4.94	-66.24
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631981	0	50	0.0	-69.44	383.40	5.09	-64.35
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300007631985	0	44	0.0	-62.15	346.18	5.93	-56.22
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633686	0	50	0.0	-80.41	390.91	5.35	-75.06
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633690	0	44	0.0	-85.80	349.85	6.71	-79.09
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634289	0	52	0.0	-81.57	416.37	5.73	-75.84
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634293	0	46	0.0	-80.53	378.28	6.45	-74.08
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634806	0	40	0.0	-73.72	329.82	2.74	-70.98
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635456	0	43	0.0	-76.77	347.38	3.24	-73.53
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635804	0	53	0.0	-91.79	424.70	8.15	-83.64
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007635809	0	47	0.0	-91.50	388.15	8.84	-82.66
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637685	0	49	0.0	-79.26	382.11	6.15	-73.11
CC(CN(C)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007637689	0	43	0.0	-74.05	345.65	6.36	-67.69
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641687	0	48	0.0	-72.26	379.68	4.55	-67.71
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641691	0	42	0.0	-77.36	344.71	5.35	-72.01
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645308	0	43	0.0	-76.96	347.60	3.23	-73.73
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300007645914	0	48	0.0	-78.75	404.17	7.26	-71.49
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649681	0	47	0.0	-71.65	382.29	5.39	-66.26
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649685	0	41	0.0	-77.70	342.96	6.09	-71.61
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650814	0	49	0.0	-84.51	381.15	4.59	-79.92
CC(C)C(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007650818	0	43	0.0	-83.91	345.23	5.38	-78.53
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651941	0	50	0.0	-87.67	380.15	5.24	-82.43
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651945	0	44	0.0	-55.28	337.82	5.66	-49.62
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652804	0	44	0.0	-85.61	355.99	3.84	-81.77
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653732	0	47	0.0	-57.31	365.17	4.24	-53.07
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653736	0	41	0.0	-86.69	325.77	5.55	-81.14
COCC(C)(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007671102	0	50	0.0	-89.19	386.23	3.59	-85.60
COCC(C)(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007671106	0	44	0.0	-81.14	345.75	4.07	-77.07
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007671851	0	50	0.0	-85.77	406.32	8.62	-77.15
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674136	0	48	0.0	-82.76	367.97	2.67	-80.09
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674140	0	42	0.0	-82.37	331.90	3.58	-78.79
C=CC(C)C(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007675133	0	50	0.0	-64.62	395.68	5.19	-59.43
C=CC(C)C(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007675137	0	44	0.0	-58.92	357.64	5.88	-53.04
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675666	0	48	0.0	-72.89	407.78	7.33	-65.56
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676784	0	47	0.0	-69.57	374.98	5.31	-64.26
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676788	0	41	0.0	-76.71	337.52	6.04	-70.67
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679561	0	47	0.0	-62.25	378.57	4.77	-57.48
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679565	0	41	0.0	-61.10	344.46	5.64	-55.46
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684525	0	49	0.0	-77.78	388.79	4.73	-73.05
CC(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)CC(=O)[O-]	REAL300007684529	0	43	0.0	-76.77	350.70	5.44	-71.33
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686287	0	50	0.0	-75.47	378.20	7.01	-68.46
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686291	0	44	0.0	-77.11	338.77	7.56	-69.55
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)=N1	REAL300007686865	0	43	0.0	-80.61	376.79	4.79	-75.82
CCCCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007687461	0	52	0.0	-85.68	412.78	5.67	-80.01
CCCCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007687465	0	46	0.0	-84.52	376.62	6.46	-78.06
CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007687978	0	51	0.0	-87.73	419.28	9.12	-78.61
CCC(C)C(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007707463	0	52	0.0	-66.41	403.84	5.35	-61.06
CCC(C)C(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007707467	0	46	0.0	-60.88	370.01	6.16	-54.72
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707999	0	53	0.0	-80.90	425.79	7.18	-73.72
C=CCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007708611	0	47	0.0	-85.03	382.82	4.64	-80.39
C=CCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007708615	0	41	0.0	-84.06	346.91	5.43	-78.63
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710282	0	50	0.0	-75.04	388.26	6.18	-68.86
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710286	0	44	0.0	-79.61	352.25	6.93	-72.68
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711578	0	46	0.0	-80.90	364.91	5.09	-75.81
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007711581	0	40	0.0	-65.67	327.81	5.77	-59.90
COCCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007713221	0	50	0.0	-86.29	403.46	3.18	-83.11
COCCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007713225	0	44	0.0	-85.35	367.36	3.97	-81.38
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007713744	0	51	0.0	-83.16	422.80	7.12	-76.04
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715355	0	49	0.0	-86.21	386.94	4.51	-81.70
CC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300007715359	0	43	0.0	-86.40	343.74	5.30	-81.10
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715898	0	50	0.0	-72.90	378.76	5.84	-67.06
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715902	0	44	0.0	-92.63	348.50	7.34	-85.29
COCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007716491	0	47	0.0	-87.29	381.60	2.45	-84.84
COCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007716495	0	41	0.0	-87.14	345.67	3.23	-83.91
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723620	0	50	0.0	-74.51	386.76	5.43	-69.08
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723624	0	44	0.0	-66.55	353.76	6.29	-60.26
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724845	0	50	0.0	-81.48	387.82	6.11	-75.37
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724849	0	44	0.0	-75.67	352.46	6.90	-68.77
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007725841	0	46	0.0	-85.07	366.96	5.48	-79.59
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007725844	0	40	0.0	-85.37	331.84	6.29	-79.08
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727464	0	50	0.0	-84.07	389.79	6.19	-77.88
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727468	0	44	0.0	-79.16	352.15	6.95	-72.21
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748128	0	50	0.0	-69.33	390.59	6.14	-63.19
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007748132	0	44	0.0	-81.90	351.48	6.52	-75.38
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300007748723	0	49	0.0	-70.83	388.15	6.24	-64.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007748727	0	43	0.0	-85.54	353.43	7.06	-78.48
CCCC(CNS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007749502	0	52	0.0	-71.89	413.57	5.57	-66.32
CCCC(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007749506	0	46	0.0	-70.92	370.05	6.30	-64.62
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752551	0	50	0.0	-66.36	404.33	5.83	-60.53
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752555	0	44	0.0	-59.25	364.09	6.50	-52.75
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753141	0	47	0.0	-80.44	377.09	4.58	-75.86
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753145	0	41	0.0	-80.37	341.03	5.34	-75.03
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753661	0	53	0.0	-73.82	402.41	6.72	-67.10
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753665	0	47	0.0	-76.89	365.13	7.38	-69.51
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754694	0	49	0.0	-83.17	367.05	5.19	-77.98
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007754698	0	43	0.0	-89.75	335.89	6.75	-83.00
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891424	0	47	0.0	-84.78	378.50	4.86	-79.92
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891428	0	41	0.0	-59.02	336.93	5.24	-53.78
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899367	0	52	0.0	-83.25	401.38	6.33	-76.92
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007899371	0	46	0.0	-73.67	363.15	7.06	-66.61
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907324	0	48	0.0	-66.18	382.34	3.68	-62.50
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907328	0	42	0.0	-69.47	347.78	4.35	-65.12
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931150	0	46	0.0	-71.05	361.53	4.88	-66.17
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007931153	0	40	0.0	-65.82	327.29	5.70	-60.12
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931969	0	51	0.0	-72.45	391.69	5.15	-67.30
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300007931973	0	45	0.0	-78.54	359.98	6.08	-72.46
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939195	0	50	0.0	-74.51	386.76	5.43	-69.08
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939199	0	44	0.0	-66.55	353.76	6.29	-60.26
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941558	0	48	0.0	-82.95	366.94	5.89	-77.06
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941562	0	42	0.0	-82.93	337.71	7.06	-75.87
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950865	0	50	0.0	-74.51	386.76	5.43	-69.08
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950869	0	44	0.0	-66.55	353.76	6.29	-60.26
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953143	0	47	0.0	-73.50	386.14	3.40	-70.10
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953147	0	41	0.0	-75.57	348.06	4.11	-71.46
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953922	0	50	0.0	-88.73	411.92	5.38	-83.35
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)=C1	REAL300007953927	0	44	0.0	-89.45	373.83	6.08	-83.37
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959977	0	52	0.0	-61.94	404.27	5.35	-56.59
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007959981	0	46	0.0	-60.51	365.74	6.05	-54.46
C=C(C)CC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007961880	0	50	0.0	-86.33	400.22	5.26	-81.07
C=C(C)CC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007961884	0	44	0.0	-84.98	365.19	6.17	-78.81
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972721	0	46	0.0	-83.19	367.31	4.06	-79.13
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300007972724	0	40	0.0	-84.94	329.25	4.81	-80.13
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974644	0	48	0.0	-72.09	385.64	2.76	-69.33
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974648	0	42	0.0	-72.24	347.72	3.43	-68.81
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)N(CC[NH+](C)C)N=C2C)C1	REAL300007980611	0	48	0.0	-74.47	375.27	5.51	-68.96
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300007980615	0	42	0.0	-65.17	340.37	6.38	-58.79
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981931	0	52	0.0	-66.41	411.42	5.56	-60.85
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007981935	0	46	0.0	-59.84	373.01	6.29	-53.55
CO[C@@H](CNS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300007985133	0	47	0.0	-71.03	385.87	3.16	-67.87
CO[C@@H](CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300007985137	0	41	0.0	-74.75	347.14	3.86	-70.89
C[NH+](C)CC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985877	0	48	0.0	-75.78	401.37	7.28	-68.50
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991514	0	50	0.0	-66.36	404.33	5.83	-60.53
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991518	0	44	0.0	-59.25	364.09	6.50	-52.75