COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1N1C=NN=N1	REAL300025554543	0	33	-1.0	-40.43	296.45	0.76	-39.67
CN1CCC2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025554544	0	41	-1.0	-39.99	341.83	0.90	-39.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(O)C(C2=CC=CC=C2)=C1	REAL300025554545	0	35	-1.0	-39.05	309.57	2.05	-37.00
CC1=CC=C(O)C(C(=O)NC2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)=C1	REAL300025554546	0	41	-1.0	-45.09	371.45	1.08	-44.01
O=C(CC(NC(=O)C1=CC=C(O)C=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025554547	0	45	-1.0	-44.17	391.28	1.76	-42.41
COC1=CC(C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)=CC=C1O	REAL300025554548	0	43	-1.0	-39.39	369.01	2.82	-36.57
CCN1CCC2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025554549	0	44	-1.0	-40.03	356.58	1.42	-38.61
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NC3=C(O)C=CC=C3C=C2)CC1	REAL300025554550	0	45	-1.0	-42.47	370.16	0.98	-41.49
O=C(CNC(=O)CC1=CC=C(O)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554551	0	35	-1.0	-41.36	315.74	-2.63	-43.99
CC1=CC=C(C(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C(O)=C1	REAL300025554552	0	38	-1.0	-45.93	332.46	-0.62	-46.55
CN(C)C1=NC2=CC=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554553	0	37	-1.0	-37.63	312.63	3.10	-34.53
COC1=CC=CC(C2=NOC(SCC(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025554554	0	37	-1.0	-41.05	347.92	0.13	-40.92
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1CCCCC1	REAL300025554555	0	40	-1.0	-39.15	325.73	2.75	-36.40
COC1=CC=C(CC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025554556	0	41	-1.0	-39.13	341.25	2.20	-36.93
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)C2=CC=CC=C2)CC1	REAL300025554557	0	47	-1.0	-39.76	366.54	3.69	-36.07
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1	REAL300025554558	0	34	-1.0	-45.96	312.11	2.67	-43.29
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1C(C)C	REAL300025554559	0	41	-1.0	-35.95	333.55	2.07	-33.88
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025554560	0	34	-1.0	-42.97	314.92	3.58	-39.39
CN1C=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025554561	0	33	-1.0	-43.16	299.18	3.16	-40.00
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025554562	0	24	-1.0	-37.22	243.64	-0.74	-37.96
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N(C2=CC=CC=C2)N=C1	REAL300025554563	0	31	-1.0	-38.68	298.21	2.56	-36.12
COC1=CC(Br)=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554564	0	34	-1.0	-37.10	316.76	2.52	-34.58
CCS(=O)(=O)C1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554565	0	33	-1.0	-44.88	319.52	0.11	-44.77
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554566	0	46	0.0	-65.30	376.18	6.54	-58.76
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554566	1	46	0.0	-64.91	376.19	6.55	-58.36
CN(CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554566	1	45	-1.0	-39.05	374.17	4.21	-34.84
COC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025554567	0	44	-1.0	-43.21	378.71	2.64	-40.57
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025554568	0	44	-1.0	-40.58	356.57	1.10	-39.48
CN1C=C(C2=CC=C(F)C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025554569	0	34	-1.0	-46.99	305.72	2.43	-44.56
CC1C=CC2C(=O)N(CC(F)(F)F)C(=O)C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554570	0	41	-1.0	-39.91	349.56	2.16	-37.75
CC1=CC(Br)=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025554571	0	30	-1.0	-40.10	295.04	2.73	-37.37
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C(F)=C2)=N1	REAL300025554572	0	30	-1.0	-44.72	301.08	1.98	-42.74
CC(C)(C)OC(=O)NCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554573	0	43	-1.0	-41.04	355.25	0.07	-40.97
O=C(CC(O)C1=CC=C(OCC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554574	0	45	-1.0	-41.02	385.31	3.53	-37.49
O=C(NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025554575	0	42	-1.0	-39.21	365.64	3.80	-35.41
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC(C(F)(F)F)=C2)OC=N1	REAL300025554576	0	33	-1.0	-43.62	315.69	0.43	-43.19
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(SC2=CC=CC=C2)=C1	REAL300025554577	0	38	-1.0	-39.58	335.84	5.71	-33.87
O=C(COCCNC(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025554578	0	38	-1.0	-44.31	336.73	0.59	-43.72
CCOC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025554579	0	47	-1.0	-40.23	379.21	3.69	-36.54
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(F)=C1	REAL300025554580	0	40	-1.0	-40.61	346.58	4.19	-36.42
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC(F)=C(OC)C=C1F	REAL300025554581	0	44	-1.0	-40.40	382.83	3.61	-36.79
CC(C)(C)OC(=O)N1CCCC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C1	REAL300025554582	0	51	-1.0	-42.86	410.42	2.69	-40.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1	REAL300025554583	0	30	-1.0	-38.38	286.26	2.07	-36.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(F)C(F)=C1	REAL300025554584	0	36	-1.0	-40.51	331.18	4.51	-36.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)O1	REAL300025554585	0	32	-1.0	-38.41	325.17	3.87	-34.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1Cl	REAL300025554586	0	24	-1.0	-36.70	253.04	2.12	-34.58
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025554587	0	40	-1.0	-38.12	346.90	4.17	-33.95
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)N2N=CN=C2N1C	REAL300025554588	0	36	-1.0	-39.84	304.99	3.65	-36.19
CCCCOC1=CC(OCCC)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554589	0	47	-1.0	-39.47	386.03	5.16	-34.31
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=CC=C1Br	REAL300025554590	0	23	-1.0	-39.47	256.09	0.45	-39.02
CC(O)(CN1C(=O)C(C)(C)C2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554591	0	45	-1.0	-40.47	372.23	0.95	-39.52
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025554592	0	43	-1.0	-39.81	361.70	4.79	-35.02
CC(C)(C)OC(=O)N1CCC(F)(F)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554593	0	44	-1.0	-42.49	358.96	2.03	-40.46
COC1=CC(Cl)=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554594	0	28	-1.0	-37.46	284.50	2.69	-34.77
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554595	0	33	-1.0	-36.65	307.68	1.01	-35.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C(F)C=C1F	REAL300025554596	0	24	-1.0	-34.78	252.64	1.79	-32.99
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCCC(C)C)=C1	REAL300025554597	0	44	-1.0	-39.98	360.24	3.94	-36.04
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1Cl	REAL300025554598	0	40	-1.0	-40.96	344.35	4.52	-36.44
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C(CC)CC	REAL300025554599	0	42	-1.0	-39.50	340.10	2.94	-36.56
N#CCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025554600	0	38	-1.0	-40.99	337.51	3.41	-37.58
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(Cl)C=C(Br)C=C2C1=O	REAL300025554601	0	29	-2.0	-83.15	304.17	1.96	-81.19
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=C(Cl)C=C(Br)C=C2C1=O	REAL300025554601	1	30	-1.0	-48.14	305.80	2.35	-45.79
CN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(Cl)C(Cl)=C1	REAL300025554602	0	38	-1.0	-37.77	355.41	3.38	-34.39
CC(C)(COC1=CC(Cl)=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554603	0	37	-1.0	-33.91	345.45	3.71	-30.20
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554604	0	29	-1.0	-36.21	291.58	3.39	-32.82
COC1=CC(OC2CC2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554605	0	36	-1.0	-40.02	308.88	2.57	-37.45
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1C	REAL300025554606	0	43	-1.0	-39.80	359.04	5.06	-34.74
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CCC(C)C	REAL300025554607	0	42	-1.0	-38.97	346.40	2.93	-36.04
CN1N=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554608	0	24	-1.0	-34.42	243.07	-0.71	-35.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(C(F)(F)F)C(F)=C1	REAL300025554609	0	27	-1.0	-32.95	268.78	2.10	-30.85
CC(C)CC1=CC=C([C@H](C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554610	0	42	-1.0	-36.46	342.84	4.95	-31.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1F	REAL300025554611	0	24	-1.0	-38.35	246.27	1.72	-36.63
COCCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554612	0	38	-1.0	-40.23	330.73	1.23	-39.00
CC(C)CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025554613	0	43	-1.0	-40.20	351.72	3.97	-36.23
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC(C)C)=C1	REAL300025554614	0	44	-1.0	-39.80	360.94	4.17	-35.63
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC2CCCC2)=C1	REAL300025554615	0	48	-1.0	-39.71	386.73	5.54	-34.17
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCC2=CC=CC=C2)=C1	REAL300025554616	0	48	-1.0	-41.04	402.94	6.61	-34.43
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCCCOC)=C1	REAL300025554617	0	48	-1.0	-41.60	398.20	3.45	-38.15
CC(=O)NCC1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025554618	0	41	-1.0	-46.78	344.47	-0.45	-47.23
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N(CCO)N=C1	REAL300025554619	0	38	-1.0	-40.02	328.08	-0.44	-40.46
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300025554620	0	36	-1.0	-36.97	339.60	4.00	-32.97
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCCC)=C1	REAL300025554621	0	44	-1.0	-39.48	364.53	4.38	-35.10
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL300025554622	0	36	-1.0	-37.88	327.09	-0.06	-37.94
CC1=C(Br)C=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554623	0	30	-1.0	-37.00	280.99	2.79	-34.21
CCOC1=C(Cl)C=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554624	0	34	-1.0	-39.59	313.46	2.60	-36.99
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Br)=C2)N=C1	REAL300025554625	0	30	-1.0	-40.18	301.39	1.28	-38.90
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1Cl	REAL300025554626	0	37	-1.0	-41.91	334.14	4.03	-37.88
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)N1CC1=CC=C(Br)C=C1	REAL300025554627	0	38	-1.0	-38.13	349.56	3.31	-34.82
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025554628	0	46	-1.0	-44.11	350.37	4.74	-39.37
O=C(CCOCC(F)(F)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025554629	0	30	-1.0	-36.03	291.16	0.37	-35.66
COC1=CC=CC(C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025554630	0	40	-1.0	-39.40	347.20	3.60	-35.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CN=C2N=C1	REAL300025554631	0	28	-1.0	-39.05	278.68	1.09	-37.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=C1NC1=CC=C(F)C=C1C2=O	REAL300025554632	0	36	-1.0	-35.64	326.46	3.53	-32.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1	REAL300025554633	0	36	-1.0	-46.02	318.50	3.04	-42.98
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025554634	0	41	-1.0	-38.95	352.92	-0.35	-39.30
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554635	0	45	-1.0	-43.62	364.91	2.42	-41.20
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC2=CC=CC=C2O1	REAL300025554636	0	34	-1.0	-44.96	308.86	2.68	-42.28
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300025554637	0	34	-1.0	-37.06	325.99	4.30	-32.76
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300025554638	0	35	-1.0	-40.33	351.67	4.76	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1C2CCC(O2)C1C(F)(F)F	REAL300025554639	0	32	-1.0	-35.90	271.79	-0.13	-36.03
CCC(=O)C1=CC=C(OCCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554640	0	45	-1.0	-41.28	381.52	4.20	-37.08
CC(OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025554641	0	41	-1.0	-38.09	349.17	4.96	-33.13
CC(C)(C)OC(=O)NCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554642	0	46	-1.0	-40.37	376.74	0.85	-39.52
CC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025554643	0	24	-1.0	-35.88	255.56	1.72	-34.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCNC(=O)C2)=CC=N1	REAL300025554644	0	36	-1.0	-49.59	303.45	-3.97	-53.56
CCCN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025554645	0	37	-1.0	-37.86	315.54	4.21	-33.65
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300025554646	0	34	-1.0	-37.80	310.61	3.77	-34.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2OC(F)(F)F)O1	REAL300025554647	0	35	-1.0	-43.07	332.60	2.72	-40.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NN2C(=O)C3CC=CCC3C2=O)=C1	REAL300025554648	0	44	-1.0	-42.85	376.63	3.14	-39.71
CC1=CC=C(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1C	REAL300025554649	0	37	-1.0	-36.94	321.01	2.30	-34.64
COC1C2CC3CC1CC(C(=O)NCC1=NC(=O)O[N-]1)(C3)C2	REAL300025554650	0	42	-1.0	-35.16	316.31	2.10	-33.06
CN1C=C(C2=NN(C)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025554651	0	34	-1.0	-43.80	303.84	0.15	-43.65
CC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025554652	0	37	-1.0	-41.92	322.71	4.01	-37.91
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300025554653	0	34	-1.0	-37.75	317.35	3.85	-33.90
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL300025554654	0	30	-1.0	-40.85	295.15	1.27	-39.58
CC1=CC2=C(Br)C=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2O1	REAL300025554655	0	30	-1.0	-39.19	291.05	3.41	-35.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1	REAL300025554656	0	37	-1.0	-39.40	328.75	1.45	-37.95
COC1=CC=C(SCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554657	0	38	-1.0	-39.27	336.91	3.05	-36.22
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C1	REAL300025554658	0	35	-1.0	-44.70	299.14	-4.21	-48.91
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)NCC1=NC(=O)O[N-]1	REAL300025554659	0	29	-1.0	-39.34	295.37	1.54	-37.80
CC1C(C(=O)NCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025554660	0	44	-1.0	-39.88	348.70	1.70	-38.18
O=C(CC1=CC=C(Br)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025554661	0	27	-1.0	-36.82	281.88	2.80	-34.02
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554662	0	34	-1.0	-47.25	308.78	3.02	-44.23
CC1=CC=C(Br)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554663	0	26	-1.0	-40.70	255.84	0.50	-40.20
O=C(CCCC1=NN=C(C2=CC=C(Cl)C=C2Cl)O1)NCC1=NC(=O)O[N-]1	REAL300025554664	0	38	-1.0	-43.44	369.29	0.73	-42.71
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)C1=CC=C(F)C=C1	REAL300025554665	0	40	-1.0	-44.81	360.39	-2.56	-47.37
CC(C)(C)OC(=O)NCCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025554666	0	43	-1.0	-46.02	378.31	-0.71	-46.73
CCOC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025554667	0	54	-1.0	-39.36	422.42	1.32	-38.04
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025554668	0	48	-1.0	-39.88	387.06	4.23	-35.65
CC1=CC=C(C)C(N2C=NC3=CC(C(=O)NCC4=NC(=O)O[N-]4)=CC=C32)=C1	REAL300025554669	0	43	-1.0	-40.61	367.18	7.14	-33.47
COC1=CC=C(OC)C(C2CC2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554670	0	39	-1.0	-40.67	323.56	1.63	-39.04
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN=C1Br	REAL300025554671	0	27	-1.0	-35.87	266.35	-0.86	-36.73
COCCOC1=CC(OC)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554672	0	39	-1.0	-43.15	333.30	1.07	-42.08
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCC2CC2)=C1	REAL300025554673	0	39	-1.0	-40.62	331.35	3.41	-37.21
CC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1CC1=CSC=C1	REAL300025554674	0	40	-1.0	-44.13	360.50	5.01	-39.12
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1F	REAL300025554675	0	33	-1.0	-40.80	295.57	3.12	-37.68
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)SC=N1	REAL300025554676	0	30	-1.0	-41.45	285.15	1.87	-39.58
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=C(Cl)C=C1	REAL300025554677	0	39	-1.0	-36.38	328.24	4.55	-31.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300025554678	0	27	-1.0	-35.79	268.00	2.60	-33.19
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554679	0	42	-1.0	-41.77	342.95	0.74	-41.03
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025554680	0	35	-1.0	-40.67	315.87	1.60	-39.07
CC1=C(Br)SC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554681	0	24	-1.0	-34.45	249.02	1.31	-33.14
CCOC(=O)CON=C(C(=O)NCC1=NC(=O)O[N-]1)C1=NNC=C1	REAL300025554682	0	37	-1.0	-42.55	337.45	0.06	-42.49
CCOC(=O)CON=C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=NN1	REAL300025554682	1	37	-1.0	-36.95	335.65	0.07	-36.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC(O)=CC=C1C(F)(F)F	REAL300025554683	0	28	-1.0	-39.75	262.28	-0.77	-40.52
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300025554684	0	36	-1.0	-48.40	317.91	3.41	-44.99
CC1CN(C2=CC=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC(C)O1	REAL300025554685	0	42	-1.0	-40.09	345.08	-0.35	-40.44
CC1=CC=C(N2C=NN=C2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554686	0	33	-1.0	-43.06	291.78	4.68	-38.38
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554687	0	44	-1.0	-39.93	369.03	1.49	-38.44
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025554688	0	45	-1.0	-39.30	367.37	4.01	-35.29
O=C(NCC1=NC(=O)O[N-]1)C(O)C(O)C1=NC2=CC=CC=C2N1	REAL300025554689	0	35	-1.0	-42.63	310.78	-3.60	-46.23
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025554690	0	30	-1.0	-37.32	285.24	2.91	-34.41
CSC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025554691	0	30	-1.0	-47.14	287.66	3.94	-43.20
CC(=O)CCC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554692	0	39	-1.0	-41.71	342.14	3.75	-37.96
COC1=CC=C(OC)C(NC(=O)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554693	0	36	-1.0	-42.35	315.76	-1.98	-44.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300025554694	0	27	-1.0	-35.31	265.38	2.11	-33.20
CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025554695	0	35	-1.0	-37.02	306.12	3.54	-33.48
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2Cl)CC1	REAL300025554696	0	34	-1.0	-36.42	308.63	3.93	-32.49
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300025554697	0	38	-1.0	-38.06	344.63	3.50	-34.56
O=C(CC1=CC=C(Br)C=C1O)NCC1=NC(=O)O[N-]1	REAL300025554698	0	28	-1.0	-36.28	276.87	-0.44	-36.72
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554699	0	42	-1.0	-41.75	342.96	0.75	-41.00
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554700	0	43	-1.0	-39.79	356.41	-3.38	-43.17
CC1=NC(C#N)=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)O1	REAL300025554701	0	39	-1.0	-41.76	335.85	-2.40	-44.16
COC1=NC(C)=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554702	0	30	-1.0	-37.37	285.81	0.15	-37.22
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554703	0	40	-1.0	-35.63	323.34	-0.71	-36.34
COCCOC1=CC=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554704	0	39	-1.0	-40.50	340.62	1.73	-38.77
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554705	0	34	-1.0	-36.82	310.03	3.24	-33.58
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CN(C)C2=CC=CC=C12	REAL300025554706	0	37	-1.0	-39.30	318.04	4.07	-35.23
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025554707	0	37	-1.0	-42.48	320.51	2.13	-40.35
CCOC1=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL300025554708	0	38	-1.0	-43.05	327.65	2.04	-41.01
O=C(CC1=CC=C(F)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025554709	0	27	-1.0	-36.72	270.37	2.30	-34.42
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC(C(F)(F)F)=N1	REAL300025554710	0	28	-1.0	-39.34	275.85	0.09	-39.25
COCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025554711	0	35	-1.0	-38.77	318.52	1.07	-37.70
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025554712	0	36	-1.0	-38.45	327.71	4.34	-34.11
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL300025554713	0	30	-1.0	-37.01	288.77	2.63	-34.38
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2C)=N1	REAL300025554714	0	36	-1.0	-37.37	320.76	3.73	-33.64
CN(C)C(=O)COC1=CC=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554715	0	41	-1.0	-44.92	363.55	2.65	-42.27
CC(C)(C)OC(=O)N1CCCC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025554716	0	48	-1.0	-38.17	375.52	4.27	-33.90
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025554717	0	37	-1.0	-36.33	327.89	3.38	-32.95
CC(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554718	0	36	-1.0	-42.99	320.63	0.06	-42.93
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025554719	0	34	-1.0	-41.49	312.71	-2.86	-44.35
CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025554720	0	31	-1.0	-41.63	293.71	-4.69	-46.32
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025554721	0	45	-1.0	-39.24	372.33	3.38	-35.86
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(F)=C2)CCC1	REAL300025554722	0	37	-1.0	-42.63	312.86	4.09	-38.54
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(OC)C=C1	REAL300025554723	0	41	-1.0	-40.01	348.27	2.64	-37.37
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1C	REAL300025554724	0	40	-1.0	-39.81	336.97	4.27	-35.54
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025554725	0	37	-1.0	-37.95	335.78	3.85	-34.10
O=C(NCC1=NC(=O)O[N-]1)C1(CCOCC2=CC=CC=C2)CC1	REAL300025554726	0	41	-1.0	-39.08	354.14	3.78	-35.30
CC(C)(C)OC(=O)N1CCCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554727	0	47	-1.0	-42.66	359.34	3.87	-38.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL300025554728	0	32	-1.0	-40.49	289.73	2.56	-37.93
CC1(C2=CC=C(F)C(Cl)=C2)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025554729	0	39	-1.0	-44.54	363.48	1.31	-43.23
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C(F)(F)F	REAL300025554730	0	31	-1.0	-41.75	284.40	-0.17	-41.92
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCS(=O)(=O)CC2	REAL300025554731	0	34	-1.0	-46.38	297.66	-1.49	-47.87
CN(C(=O)OC(C)(C)C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CN(C)N=C1	REAL300025554732	0	47	-1.0	-44.27	383.20	1.68	-42.59
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(=O)C2=CC=CC=C2)N=CN1	REAL300025554733	0	33	-1.0	-45.22	295.43	4.11	-41.11
CC(C(=O)NCC1=NC(=O)O[N-]1)C1CN(C(=O)OC(C)(C)C)C1	REAL300025554734	0	44	-1.0	-40.47	359.06	1.55	-38.92
CC1CCN(C(=O)OC(C)(C)C)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554735	0	47	-1.0	-43.58	365.92	3.12	-40.46
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554736	0	40	-1.0	-37.74	341.36	5.95	-31.79
COC1=CC=C(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C=C1OC	REAL300025554737	0	42	-1.0	-44.55	366.34	1.87	-42.68
CC1=CC=C(C2=CNC=C2C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025554738	0	32	-1.0	-42.74	297.29	2.50	-40.24
CCN1C=C(C2=NNC=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025554739	0	34	-1.0	-42.77	302.53	-0.27	-43.04
CCN1C=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2)C=N1	REAL300025554739	1	34	-1.0	-42.96	303.24	-0.40	-43.36
O=C(CCCCCC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554740	0	39	-1.0	-37.87	338.06	4.95	-32.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300025554741	0	27	-1.0	-33.80	276.89	2.57	-31.23
CC12CC3(C)CC(C)(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C2)C3	REAL300025554742	0	47	-1.0	-35.99	346.44	4.45	-31.54
CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025554743	0	33	-1.0	-37.00	305.78	3.68	-33.32
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=CC=C2F)S1	REAL300025554744	0	33	-1.0	-38.47	317.08	2.72	-35.75
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1Cl	REAL300025554745	0	32	-1.0	-38.18	294.99	1.54	-36.64
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554746	0	44	-1.0	-43.23	355.53	1.80	-41.43
O=C(NCC1=NC(=O)O[N-]1)C(O)CC1=CC=CC(C(F)(F)F)=C1	REAL300025554747	0	34	-1.0	-37.96	315.62	1.46	-36.50
CC(C)(C)C1=NN=C2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN21	REAL300025554748	0	38	-1.0	-38.21	318.38	3.41	-34.80
CCCCOC1=CC(OC)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554749	0	41	-1.0	-40.11	342.67	3.42	-36.69
O=C(CC1(CSC2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025554750	0	38	-1.0	-37.76	334.26	4.93	-32.83
O=C(CCCCC(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554751	0	38	-1.0	-40.08	336.76	3.99	-36.09
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300025554752	0	29	-2.0	-83.33	279.52	0.90	-82.43
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL300025554753	0	30	-1.0	-40.59	283.00	-0.50	-41.09
CCN1C=C(C2=NN(C)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025554754	0	37	-1.0	-43.60	325.35	1.04	-42.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1Br	REAL300025554755	0	24	-1.0	-36.05	258.68	2.30	-33.75
COC1=CC2=CC=C([C@H](C)C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025554756	0	40	-1.0	-39.56	336.93	3.80	-35.76
CCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025554757	0	38	-1.0	-37.85	326.98	3.22	-34.63
CC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025554758	0	41	-1.0	-37.71	344.90	3.84	-33.87
O=C(NCC1=NC(=O)O[N-]1)C1=C(I)C=NN1	REAL300025554759	0	21	-1.0	-34.00	227.99	-1.38	-35.38
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1OC	REAL300025554760	0	41	-1.0	-43.57	348.46	2.80	-40.77
O=C(CCC(=O)C1=CC=C(Cl)C=N1)NCC1=NC(=O)O[N-]1	REAL300025554761	0	31	-1.0	-37.80	300.61	1.20	-36.60
CC1=NC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025554762	0	25	-1.0	-36.61	251.72	-0.30	-36.91
CN1C(=O)NC2=NC=C(C3=CC=CC(C(=O)NCC4=NC(=O)O[N-]4)=C3)C=C21	REAL300025554763	0	40	-1.0	-43.73	348.31	2.57	-41.16
O=C(CNC(=O)C1=CC=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025554764	0	31	-1.0	-39.51	291.04	-0.31	-39.82
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554765	0	34	-1.0	-45.94	304.25	1.16	-44.78
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(Cl)S1	REAL300025554766	0	28	-1.0	-37.89	285.34	0.83	-37.06
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(Cl)S2)NN=C1	REAL300025554766	1	28	-1.0	-37.28	285.77	0.73	-36.55
CC1=CN(C2=C(C(=O)NCC3=NC(=O)O[N-]3)C(C)=NN2C)N=C1	REAL300025554767	0	37	-1.0	-45.58	326.15	1.84	-43.74
O=C(CNC(=O)C1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025554768	0	28	-1.0	-36.46	293.88	-0.73	-37.19
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025554769	0	31	-1.0	-36.49	292.92	-0.33	-36.82
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025554770	0	31	-1.0	-38.13	292.78	-0.34	-38.47
O=C(CNC(=O)C1=CC2=C(CCC2)S1)NCC1=NC(=O)O[N-]1	REAL300025554771	0	35	-1.0	-38.67	318.12	0.56	-38.11
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025554772	0	31	-1.0	-41.91	305.87	-0.13	-42.04
CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554773	0	43	-1.0	-37.51	364.06	0.12	-37.39
CSCC(C)C(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554774	0	44	-1.0	-40.40	364.31	2.55	-37.85
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025554775	0	51	-1.0	-39.51	391.48	2.04	-37.47
N#CC1=CC=CC(N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025554776	0	32	-1.0	-51.39	303.34	2.59	-48.80
CC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025554777	0	27	-1.0	-37.79	276.90	1.90	-35.89
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554778	0	40	-1.0	-37.73	345.67	1.86	-35.87
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554779	0	34	-1.0	-43.16	307.33	2.95	-40.21
O=C(NCC1=NC(=O)O[N-]1)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL300025554780	0	30	-1.0	-35.92	288.28	2.76	-33.16
CCC(C)(C)C1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554781	0	48	-1.0	-35.21	341.60	4.26	-30.95
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2N=C1	REAL300025554782	0	33	-1.0	-42.44	293.91	0.49	-41.95
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)CC(=O)C1=CC=CC=C1	REAL300025554783	0	41	-1.0	-41.86	331.26	4.18	-37.68
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C2=CC=CC=C2Cl)=NO1	REAL300025554784	0	35	-1.0	-45.20	320.25	2.63	-42.57
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300025554785	0	33	-2.0	-83.38	313.59	1.23	-82.15
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300025554785	1	33	-2.0	-86.03	313.50	1.18	-84.85
NS(=O)(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Cl)S1	REAL300025554786	0	26	-1.0	-44.21	278.11	-3.14	-47.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1CCCCC1	REAL300025554787	0	42	-1.0	-37.31	333.86	3.66	-33.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Br)=C2C=C1	REAL300025554788	0	30	-1.0	-37.72	285.56	3.83	-33.89
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025554789	0	33	-1.0	-36.05	300.42	3.27	-32.78
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1	REAL300025554790	0	32	-1.0	-39.94	319.13	3.38	-36.56
COC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C(F)=C1	REAL300025554791	0	37	-1.0	-39.83	338.08	1.88	-37.95
CCN1N=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)N=C21	REAL300025554792	0	35	-1.0	-36.98	303.68	1.74	-35.24
COCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)S1	REAL300025554793	0	37	-1.0	-43.01	340.72	1.63	-41.38
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(I)C=C2)CC1	REAL300025554794	0	31	-1.0	-36.72	300.33	3.84	-32.88
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300025554795	0	40	-1.0	-34.90	331.43	0.91	-33.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N=C(N3CCCC3)S2)S1	REAL300025554796	0	35	-1.0	-38.03	325.34	1.42	-36.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(OC(F)(F)F)=C1	REAL300025554797	0	28	-1.0	-34.26	287.50	1.51	-32.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C2=NC=CC=C12	REAL300025554798	0	29	-1.0	-36.89	273.69	2.02	-34.87
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Br)C=C1[N+](=O)[O-]	REAL300025554799	0	28	-1.0	-33.06	276.80	0.75	-32.31
CCOC(=O)OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554800	0	34	-1.0	-37.88	309.35	2.98	-34.90
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCC1=CC(Br)=CC=C12	REAL300025554801	0	35	-1.0	-37.51	315.27	4.76	-32.75
COC1=CC=C(C(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554802	0	42	-1.0	-46.82	348.52	1.96	-44.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL300025554803	0	34	-1.0	-38.92	308.70	2.26	-36.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC1=CC=CC=C1[N+](=O)[O-]	REAL300025554804	0	37	-1.0	-44.50	339.08	5.62	-38.88
CC1=CC=CC(OC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554805	0	38	-1.0	-42.66	330.77	5.79	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=NC=C1	REAL300025554806	0	34	-1.0	-41.26	302.68	3.30	-37.96
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL300025554807	0	36	-1.0	-43.10	334.87	3.25	-39.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC=C1OC1=CC=CC=C1	REAL300025554808	0	34	-1.0	-38.50	302.69	3.23	-35.27
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC=C1OC1=CC=CC=C1	REAL300025554809	0	34	-1.0	-44.19	304.92	3.33	-40.86
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(N2CCOCC2)S1	REAL300025554810	0	43	-1.0	-39.69	369.46	1.55	-38.14
CC1=NN(C)C(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554811	0	27	-1.0	-37.86	269.77	-0.24	-38.10
CC(SC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)C(N)=O	REAL300025554812	0	35	-1.0	-47.76	312.88	-0.58	-48.34
O=C(CC1=C(F)C=CC(Br)=C1F)NCC1=NC(=O)O[N-]1	REAL300025554813	0	27	-1.0	-38.18	276.96	2.39	-35.79
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554814	0	35	-1.0	-45.53	308.76	2.15	-43.38
CCOC(CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N)OCC	REAL300025554815	0	43	-1.0	-38.54	361.51	-0.53	-39.07
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C(CC(C)(C)C)=NOC2=N1	REAL300025554816	0	46	-1.0	-34.59	367.87	2.48	-32.11
CCCC1=NOC2=NC(CC)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025554817	0	40	-1.0	-35.95	338.58	0.86	-35.09
CC(C)(COCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554818	0	40	-1.0	-35.92	337.54	3.19	-32.73
O=C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025554819	0	34	-1.0	-47.70	317.23	-1.08	-48.78
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2(O)CCOCC2)OC=C1	REAL300025554820	0	36	-1.0	-39.22	300.17	-1.30	-40.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=NNN=C21	REAL300025554821	0	26	-1.0	-38.56	262.90	-1.01	-39.57
CC(C)C(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025554822	0	46	-1.0	-40.52	361.95	0.80	-39.72
O=C(CCOC1=CC=CC(I)=C1)NCC1=NC(=O)O[N-]1	REAL300025554823	0	31	-1.0	-35.65	303.40	2.46	-33.19
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL300025554824	0	27	-1.0	-42.58	285.07	2.49	-40.09
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CCOC1=CC=C(F)C=C1	REAL300025554825	0	40	-1.0	-43.17	355.96	1.38	-41.79
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554826	0	37	-1.0	-35.42	341.40	1.43	-33.99
CN1C=C(OC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025554827	0	35	-1.0	-43.52	311.81	2.83	-40.69
COC1=CC=CC=C1N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025554828	0	38	-1.0	-43.56	328.23	2.15	-41.41
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554829	0	40	-1.0	-40.62	338.10	2.99	-37.63
CCC(O)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025554830	0	34	-1.0	-37.13	301.36	0.94	-36.19
CCC1=NC2=CC=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025554831	0	38	-1.0	-39.67	322.87	2.93	-36.74
CN(C)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025554832	0	35	-1.0	-40.21	317.60	-1.10	-41.31
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025554833	0	31	-1.0	-40.27	293.41	-2.73	-43.00
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300025554834	0	33	-1.0	-39.97	317.53	3.52	-36.45
O=C(CN1CCC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025554835	0	35	-1.0	-45.53	304.88	2.18	-43.35
CC1=CC(=O)N(CC(C)(O)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554836	0	37	-1.0	-44.85	314.82	-0.55	-45.40
CN(C)C1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025554837	0	34	-1.0	-40.82	305.76	2.40	-38.42
O=C(CCCC(=O)C1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554838	0	35	-1.0	-43.28	330.16	3.77	-39.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN1C1=C(Cl)C=CC=C1Cl	REAL300025554839	0	32	-1.0	-33.37	316.35	5.41	-27.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL300025554840	0	28	-1.0	-35.11	277.51	1.36	-33.75
CN1CC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025554841	0	35	-1.0	-41.53	300.27	1.77	-39.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC(F)(F)F	REAL300025554842	0	34	-1.0	-38.13	311.65	3.86	-34.27
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=CC=C1F	REAL300025554843	0	32	-1.0	-45.10	293.31	2.63	-42.47
CCCCCCCCCC(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554844	0	50	-1.0	-35.29	392.68	6.20	-29.09
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC=C12	REAL300025554845	0	37	-1.0	-39.42	315.17	3.10	-36.32
NC(=O)CC(NC(=O)C1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554846	0	38	-1.0	-51.19	349.02	-2.01	-53.20
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025554847	0	35	-1.0	-53.66	328.04	-3.37	-57.03
NC1=C(Cl)C=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025554848	0	26	-1.0	-35.38	260.70	0.08	-35.30
O=C(CCC(=O)NCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300025554849	0	44	-2.0	-88.24	384.77	1.05	-87.19
O=C(CCC(=O)NC1=NN=C(C2CCCCC2)S1)NCC1=NC(=O)O[N-]1	REAL300025554849	1	45	-1.0	-46.66	388.05	2.18	-44.48
CC(C)(C)OC(=O)N1CCC(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025554850	0	48	-1.0	-40.04	393.70	1.09	-38.95
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CN=CC(Br)=C2)CC1	REAL300025554851	0	30	-1.0	-37.32	288.89	1.56	-35.76
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025554852	0	40	-1.0	-50.76	341.60	1.02	-49.74
O=C(CC1=C(Br)C(=O)NC=C1)NCC1=NC(=O)O[N-]1	REAL300025554853	0	27	-1.0	-46.63	267.64	-0.86	-47.49
COC1=CC=CC(C(C)CCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554854	0	43	-1.0	-38.46	353.92	3.73	-34.73
CC1=CC(F)=CC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025554855	0	33	-1.0	-40.62	306.28	1.48	-39.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL300025554856	0	32	-1.0	-37.70	302.61	2.90	-34.80
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC(C)=C(C)C=C21	REAL300025554857	0	36	-1.0	-39.31	313.84	4.28	-35.03
O=C(NCC1=NC(=O)O[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300025554858	0	34	-1.0	-37.57	306.75	4.03	-33.54
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)NC2=CC=C(Br)C=C21	REAL300025554859	0	32	-1.0	-41.50	302.71	0.69	-40.81
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(C)=C1	REAL300025554860	0	43	-1.0	-40.25	361.58	4.79	-35.46
C[C@H](OC1=CC=C(I)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554861	0	31	-1.0	-36.35	299.07	3.33	-33.02
CC1=CC=C(C)C(C(C)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C)=C1	REAL300025554862	0	51	-1.0	-38.95	408.89	6.40	-32.55
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1CC1=CC=CC=C1	REAL300025554863	0	37	-1.0	-40.92	314.07	2.83	-38.09
C[C@H](OC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554864	0	31	-1.0	-36.61	292.59	2.85	-33.76
CC(C)(C)OC(=O)NC(CCC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554865	0	43	-1.0	-35.74	362.97	0.44	-35.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)C2CCCC2)=CC=C1F	REAL300025554866	0	40	-1.0	-46.30	349.39	1.48	-44.82
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1	REAL300025554867	0	31	-1.0	-42.85	312.87	4.29	-38.56
CC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554868	0	47	-1.0	-43.05	380.97	3.46	-39.59
COC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1O	REAL300025554869	0	36	-1.0	-41.80	315.23	-1.26	-43.06
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCCO	REAL300025554870	0	36	-1.0	-41.06	312.97	-1.90	-42.96
COC(CNC(=O)OC(C)(C)C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554871	0	44	-1.0	-40.04	359.21	-0.81	-40.85
CN(CCO)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554872	0	39	-1.0	-40.62	344.34	-3.33	-43.95
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(S(N)(=O)=O)O1	REAL300025554873	0	29	-1.0	-42.47	279.38	-5.16	-47.63
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)C=C2Cl)=NO1	REAL300025554874	0	33	-1.0	-36.93	335.17	3.86	-33.07
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)C(Cl)=C2)=NO1	REAL300025554875	0	33	-1.0	-35.88	332.98	3.67	-32.21
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554876	0	44	-1.0	-36.57	368.65	2.10	-34.47
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025554877	0	33	-1.0	-39.63	298.85	2.81	-36.82
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC(Cl)=C2Cl)=NO1	REAL300025554878	0	33	-1.0	-38.95	333.59	3.81	-35.14
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=C(Cl)C=CC=C2Cl)=NO1	REAL300025554879	0	39	-1.0	-39.28	371.97	5.13	-34.15
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300025554880	0	33	-2.0	-108.69	330.04	1.88	-106.81
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025554881	0	34	-2.0	-106.57	314.07	0.93	-105.64
CC(C)CC(=O)NC(CC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554882	0	40	-1.0	-40.41	334.44	-2.63	-43.04
C[Si](C)(C)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554883	0	39	-1.0	-39.36	338.62	6.22	-33.14
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=C(Cl)C=CC=C2Cl)=NO1	REAL300025554884	0	39	-1.0	-39.37	370.73	4.96	-34.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C2=C1OCCC2	REAL300025554885	0	32	-1.0	-38.50	290.70	3.47	-35.03
CC1=NC(CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)=NO1	REAL300025554886	0	34	-1.0	-45.62	311.16	-2.74	-48.36
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(C(F)(F)F)C=C1	REAL300025554887	0	39	-1.0	-44.92	354.74	2.60	-42.32
CC1=NC(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)=NO1	REAL300025554888	0	31	-1.0	-47.31	295.25	-3.27	-50.58
CCC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025554889	0	27	-1.0	-34.61	265.05	-0.55	-35.16
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300025554890	0	39	-1.0	-44.38	343.90	2.38	-42.00
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025554891	0	40	-2.0	-105.11	349.52	2.20	-102.91
O=C(CC1=CC=CN=C1Br)NCC1=NC(=O)O[N-]1	REAL300025554892	0	26	-1.0	-40.35	258.51	0.32	-40.03
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC2=CC=CC=C2C1=O	REAL300025554893	0	36	-1.0	-42.00	310.85	2.86	-39.14
CN1N=CC2=C1N(C)C=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025554894	0	33	-1.0	-56.95	287.37	1.03	-55.92
CC1=C(S(N)(=O)=O)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025554895	0	29	-1.0	-38.85	298.25	-3.81	-42.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1F	REAL300025554896	0	24	-1.0	-35.06	262.99	2.22	-32.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(Cl)=C1F	REAL300025554897	0	24	-1.0	-35.43	261.20	2.18	-33.25
COC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554898	0	40	-1.0	-43.51	342.07	5.04	-38.47
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300025554899	0	42	-1.0	-45.19	361.89	3.36	-41.83
CC(=O)NC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300025554900	0	43	-1.0	-52.67	371.79	-1.66	-54.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=C1[N+](=O)[O-]	REAL300025554901	0	40	-1.0	-45.89	359.07	5.67	-40.22
O=C(CCOC1=CC=CC=C1I)NCC1=NC(=O)O[N-]1	REAL300025554902	0	31	-1.0	-36.69	302.31	2.52	-34.17
N#CCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025554903	0	38	-1.0	-49.90	340.12	4.89	-45.01
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=C(Cl)C=CC=C1Cl	REAL300025554904	0	30	-1.0	-40.06	300.18	1.70	-38.36
CS(=O)(=O)C1=CC=C(C2=CSC(CC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025554905	0	39	-1.0	-49.02	369.49	-0.00	-49.02
O=C(CC1=CSC(CC2=CC=CC(Cl)=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025554906	0	36	-1.0	-40.32	349.31	3.88	-36.44
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=C(F)C=CC=C2F)=NO1	REAL300025554907	0	32	-1.0	-43.42	303.14	2.45	-40.97
O=C(NCC1=NC(=O)O[N-]1)C1=NC(C2=CC=CC=C2)=CS1	REAL300025554908	0	30	-1.0	-40.20	286.66	1.75	-38.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC2=CC=C(F)C=C2F)=C1	REAL300025554909	0	34	-1.0	-37.57	321.32	1.48	-36.09
CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025554910	0	30	-1.0	-39.31	282.05	0.66	-38.65
O=C(CCCOC1=CC=C2CCC(=O)NC2=C1)NCC1=NC(=O)O[N-]1	REAL300025554911	0	42	-1.0	-43.34	356.94	1.32	-42.02
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300025554912	0	36	-1.0	-44.74	322.45	1.67	-43.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1NC1=CC=CC=C1C2=O	REAL300025554913	0	36	-1.0	-38.41	313.63	3.39	-35.02
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554914	0	50	0.0	-58.65	395.08	6.57	-52.08
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554914	1	50	0.0	-58.12	394.45	6.52	-51.60
CC(C)N1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554914	1	49	-1.0	-40.66	389.26	4.20	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1	REAL300025554915	0	36	-1.0	-46.51	331.27	2.75	-43.76
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554916	0	33	-1.0	-51.23	300.73	2.08	-49.15
CCOC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1	REAL300025554917	0	34	-1.0	-39.38	301.40	-1.55	-40.93
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025554918	0	33	-1.0	-38.16	286.74	3.03	-35.13
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CC(=O)C1	REAL300025554919	0	33	-1.0	-39.00	312.85	2.98	-36.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-]	REAL300025554920	0	35	-1.0	-42.68	318.56	4.39	-38.29
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300025554921	0	35	-1.0	-36.35	319.65	2.87	-33.48
N#CC1=CC=CC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025554922	0	31	-1.0	-41.67	300.68	2.43	-39.24
CC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025554923	0	27	-1.0	-40.89	269.35	2.03	-38.86
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(Br)=C1F	REAL300025554924	0	24	-1.0	-39.73	257.99	1.59	-38.14
O=C(CC1=CC=CC(N2CCCC2=O)=C1)NCC1=NC(=O)O[N-]1	REAL300025554925	0	38	-1.0	-48.00	323.08	2.85	-45.15
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025554926	0	37	-1.0	-42.80	325.33	3.29	-39.51
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554927	0	37	-1.0	-40.05	316.34	4.53	-35.52
COC1=CC=C(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1OC	REAL300025554928	0	38	-1.0	-38.84	346.54	1.19	-37.65
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025554929	0	42	-1.0	-41.19	362.64	3.06	-38.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2N=CC3=CC=CC=C32)C=C1Cl	REAL300025554930	0	37	-1.0	-40.42	337.32	4.83	-35.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1CCCC1	REAL300025554931	0	39	-1.0	-43.12	325.91	1.43	-41.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCOC2)C=C1	REAL300025554932	0	36	-1.0	-38.67	306.35	0.70	-37.97
CC(C)(C)C(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554933	0	46	-1.0	-39.42	361.14	2.08	-37.34
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)S2)=N1	REAL300025554934	0	31	-1.0	-38.66	308.25	2.15	-36.51
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC(F)F)=C1	REAL300025554935	0	32	-1.0	-40.17	287.58	1.20	-38.97
CC(C)NC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025554936	0	45	-1.0	-44.78	354.19	0.39	-44.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1C(=O)C1=CC=CC=C1	REAL300025554937	0	36	-1.0	-37.81	331.17	4.51	-33.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1=NNC=N1	REAL300025554938	0	33	-1.0	-46.43	321.61	2.85	-43.58
CN1N=NN=C1SC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554939	0	35	-1.0	-47.93	338.07	1.72	-46.21
CC(C)(C)C1=CC=C(C(O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554940	0	46	-1.0	-37.76	371.96	2.53	-35.23
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(Br)C=C2)=NO1	REAL300025554941	0	36	-1.0	-36.59	343.60	4.42	-32.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1N1C=CC=N1	REAL300025554942	0	31	-1.0	-42.94	283.99	2.97	-39.97
O=C(CC1=CC=CC(Cl)=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025554943	0	27	-1.0	-38.32	275.16	2.62	-35.70
CC1=CC=CC=C1N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(C)C	REAL300025554944	0	43	-1.0	-39.10	348.53	4.71	-34.39
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025554945	0	43	-1.0	-42.13	361.35	0.35	-41.78
CCOC1=CC=C(C2=NC(CC)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025554946	0	43	-1.0	-37.51	377.75	3.53	-33.98
O=C(CC1=CSC2=CC=C(Br)C=C12)NCC1=NC(=O)O[N-]1	REAL300025554947	0	30	-1.0	-37.95	303.34	3.70	-34.25
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC(SC(F)F)=N1	REAL300025554948	0	30	-1.0	-40.68	304.84	1.24	-39.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC1=CC=CC=C1F	REAL300025554949	0	37	-1.0	-40.80	330.36	3.06	-37.74
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1F	REAL300025554950	0	36	-1.0	-42.63	323.17	1.58	-41.05
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCCC2)CCCCC1	REAL300025554951	0	46	-1.0	-37.56	327.72	5.14	-32.42
O=C(CN1C=CC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025554952	0	33	-1.0	-46.47	296.27	2.62	-43.85
O=C(CC1=CC=C(I)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554953	0	27	-1.0	-36.23	273.53	2.83	-33.40
CC1=CC=CC2=C1C(C)CC2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554954	0	40	-1.0	-38.12	318.54	4.55	-33.57
O=C(C=CC1=CC=CC=C1N1C=CC=N1)NCC1=NC(=O)O[N-]1	REAL300025554955	0	35	-1.0	-44.26	313.22	3.71	-40.55
O=C(CCOCC(F)(F)C(F)F)NCC1=NC(=O)O[N-]1	REAL300025554956	0	30	-1.0	-39.01	285.42	0.26	-38.75
CC(O)(CN1C=C(C(F)(F)F)C=CC1=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554957	0	37	-1.0	-40.35	332.21	-0.25	-40.60
CC(C)(C)CC(CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554958	0	52	-1.0	-38.61	382.90	2.06	-36.55
COC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C(F)C=C1	REAL300025554959	0	32	-1.0	-38.93	290.88	0.34	-38.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N2C=C(Br)C=CC2=N1	REAL300025554960	0	30	-1.0	-38.76	294.25	2.49	-36.27
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2C)=NO1	REAL300025554961	0	36	-1.0	-39.41	314.02	3.51	-35.90
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2NC=C(Br)C=C12	REAL300025554962	0	27	-1.0	-46.00	267.34	0.99	-45.01
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554963	0	44	-1.0	-44.63	355.46	2.26	-42.37
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1I	REAL300025554964	0	30	-1.0	-36.62	282.51	3.37	-33.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1	REAL300025554965	0	36	-1.0	-38.99	323.74	1.83	-37.16
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554966	0	33	-1.0	-40.51	305.65	2.66	-37.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300025554967	0	43	0.0	-62.36	341.03	4.81	-57.55
CC(C)(C)OC(=O)N1CC2(CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554968	0	42	-1.0	-42.47	348.88	1.67	-40.80
CN1N=C(C(F)F)C2=C1SC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025554969	0	30	-1.0	-38.78	297.91	0.99	-37.79
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554970	0	37	-1.0	-39.76	317.26	4.51	-35.25
CC1=CC=CC(=O)N1CC(C)(O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554971	0	37	-1.0	-43.08	303.74	-1.12	-44.20
CC(C)CN1C=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025554972	0	40	-1.0	-42.17	327.97	4.69	-37.48
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554973	0	37	-1.0	-39.85	332.15	2.60	-37.25
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025554974	0	37	-1.0	-36.39	322.74	2.45	-33.94
COC1=CC=C(OC)C(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)C2)=C1	REAL300025554975	0	40	-1.0	-45.61	345.97	1.26	-44.35
COC1=CC=CC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)C2)=C1	REAL300025554976	0	36	-1.0	-42.43	318.66	1.69	-40.74
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC(SC(F)(F)F)=N1	REAL300025554977	0	30	-1.0	-37.55	311.41	1.44	-36.11
O=C(CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025554978	0	29	-1.0	-39.19	289.00	2.62	-36.57
CC(C)(C)OC(=O)NC1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554979	0	47	-1.0	-39.25	384.76	3.07	-36.18
CC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025554980	0	24	-1.0	-36.52	250.36	1.28	-35.24
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=CC=C1F	REAL300025554981	0	23	-1.0	-41.22	244.36	-0.09	-41.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1	REAL300025554982	0	32	-1.0	-39.39	306.41	0.66	-38.73
CC(C)(C)OC(=O)C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554983	0	37	-1.0	-38.58	321.02	1.40	-37.18
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554984	0	44	-1.0	-37.68	359.03	1.97	-35.71
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025554985	0	48	-1.0	-44.23	366.17	4.03	-40.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300025554986	0	40	0.0	-62.13	324.28	4.10	-58.03
CC(C)(C)OC(=O)NC1CCN(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554987	0	49	-1.0	-38.91	387.26	-1.01	-39.92
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554987	1	50	0.0	-58.09	388.70	1.15	-56.94
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=NO1	REAL300025554988	0	36	-1.0	-38.93	332.56	4.06	-34.87
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025554989	0	36	-1.0	-38.41	322.50	3.49	-34.92
O=C(NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1)C1CC1	REAL300025554990	0	41	-1.0	-39.82	333.23	1.62	-38.20
CN(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OCC1=CC=CC=C1	REAL300025554991	0	41	-1.0	-41.02	359.05	3.03	-37.99
CN(C)S(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554992	0	38	-1.0	-43.23	341.32	-0.27	-43.50
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554993	0	42	0.0	-61.27	329.30	3.98	-57.29
CS(=O)(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025554994	0	35	-1.0	-44.50	333.18	-1.22	-45.72
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025554995	0	45	-1.0	-41.87	380.34	3.47	-38.40
O=C(COC1=CC=CC(I)=C1)NCC1=NC(=O)O[N-]1	REAL300025554996	0	28	-1.0	-38.25	282.45	2.72	-35.53
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC(F)=C1	REAL300025554997	0	30	-1.0	-38.18	278.71	0.80	-37.38
CS(=O)(=O)CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025554998	0	39	-1.0	-48.19	347.07	0.46	-47.73
CCCC(CCCS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554999	0	41	-1.0	-45.75	345.82	-0.37	-46.12
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCC(C)C)=C1	REAL300025555000	0	41	-1.0	-40.26	341.28	3.31	-36.95
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC(Br)=CC=C2O1	REAL300025555001	0	29	-1.0	-36.90	281.68	2.55	-34.35
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Br)CC1	REAL300025555002	0	31	-1.0	-39.58	289.48	3.42	-36.16
CC(NC(=O)OC(C)(C)C)C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555003	0	43	-1.0	-39.31	341.64	-0.12	-39.43
CCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025555004	0	37	-1.0	-40.54	316.66	2.92	-37.62
CC(CCC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025555005	0	43	-1.0	-38.63	353.51	0.39	-38.24
CCCOC1=CC(OC)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555006	0	38	-1.0	-40.16	321.17	2.64	-37.52
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC(C)C)=C1	REAL300025555007	0	38	-1.0	-40.41	317.59	2.44	-37.97
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1F	REAL300025555008	0	33	-1.0	-38.31	296.11	3.14	-35.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1	REAL300025555009	0	34	-1.0	-44.56	319.51	3.81	-40.75
CC(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025555010	0	40	-1.0	-40.55	338.02	3.62	-36.93
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCCOC(C)C)=C1	REAL300025555011	0	45	-1.0	-43.20	375.43	2.79	-40.41
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(Br)S1	REAL300025555012	0	23	-1.0	-39.25	248.36	-0.54	-39.79
C[NH+](C)CCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025555013	0	46	0.0	-64.86	374.61	4.22	-60.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1	REAL300025555014	0	32	-1.0	-37.15	313.01	0.78	-36.37
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)SC(Br)=N1	REAL300025555015	0	27	-1.0	-39.70	277.26	0.92	-38.78
O=C(CC1=CN=CN1CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025555016	0	37	-1.0	-42.49	320.64	4.39	-38.10
CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OCC1=CC=CC=C1	REAL300025555017	0	38	-1.0	-42.67	338.02	2.70	-39.97
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1C	REAL300025555018	0	33	-1.0	-38.37	295.91	1.73	-36.64
O=C(CCCCCN1C(=O)C2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025555019	0	43	-1.0	-44.87	376.48	3.69	-41.18
CC(C)(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025555020	0	43	-1.0	-40.52	353.96	3.80	-36.72
CC(O)(CN1CC2=CC=CC=C2C1=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555021	0	39	-1.0	-44.82	333.86	-0.59	-45.41
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL300025555022	0	40	-1.0	-39.58	328.67	2.92	-36.66
CCCCS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555023	0	39	-1.0	-42.17	346.24	1.06	-41.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)C=N1	REAL300025555024	0	30	-1.0	-39.84	289.28	0.00	-39.84
CC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1C	REAL300025555025	0	30	-1.0	-49.08	279.02	1.12	-47.96
CC(C)(C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(F)(F)F	REAL300025555026	0	36	-1.0	-36.82	310.45	3.57	-33.25
COC1=CC=C(C(=O)CCCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555027	0	45	-1.0	-44.35	381.16	4.02	-40.33
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(Br)=N1	REAL300025555028	0	23	-1.0	-33.40	247.01	-0.60	-34.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCCCC2=O	REAL300025555029	0	36	-1.0	-38.52	304.13	3.22	-35.30
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C(F)(F)F)C1	REAL300025555031	0	44	-1.0	-39.48	367.11	2.07	-37.41
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(N2C=CC=N2)CC1	REAL300025555032	0	51	-1.0	-38.02	398.36	2.93	-35.09
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=NC=C1	REAL300025555033	0	35	-1.0	-45.68	311.10	-0.15	-45.83
CC1=CC(Br)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025555034	0	27	-1.0	-36.18	272.80	2.77	-33.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=C(F)C=C2O1	REAL300025555035	0	29	-1.0	-35.59	277.44	1.37	-34.22
COCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555036	0	41	-1.0	-37.07	342.84	-2.13	-39.20
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555037	0	39	-1.0	-40.82	342.93	2.04	-38.78
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCOC1	REAL300025555038	0	42	-1.0	-41.56	339.86	-1.93	-43.49
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555039	0	42	-1.0	-47.80	365.38	0.99	-46.81
N#CC1=CC(F)=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025555040	0	32	-1.0	-39.30	299.12	3.22	-36.08
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(C#N)=C1	REAL300025555041	0	34	-1.0	-36.88	304.01	3.12	-33.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1OCC1CC1	REAL300025555042	0	34	-1.0	-37.34	321.00	2.13	-35.21
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C2=CC=C(Cl)C=C2C#N)CC1	REAL300025555043	0	43	-1.0	-35.69	369.08	3.98	-31.71
CC(CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555044	0	40	-1.0	-39.78	329.75	-0.70	-40.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC(Br)=C21	REAL300025555045	0	30	-1.0	-43.29	280.16	4.01	-39.28
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(Cl)C(Br)=C1	REAL300025555046	0	23	-1.0	-33.42	252.39	0.27	-33.15
CC(C)C1=CC=C2OC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025555047	0	36	-1.0	-39.41	309.97	3.30	-36.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1	REAL300025555048	0	39	-1.0	-42.84	340.99	5.36	-37.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL300025555049	0	34	-1.0	-41.98	304.70	1.23	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300025555050	0	43	0.0	-54.89	344.80	5.10	-49.79
O=C(NCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300025555050	1	43	0.0	-54.88	344.75	5.10	-49.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1	REAL300025555051	0	38	-1.0	-45.67	333.16	3.06	-42.61
O=C(NCC1=NC(=O)O[N-]1)C1CSC(C2=CC=CC=C2O)=N1	REAL300025555052	0	33	-1.0	-40.17	306.22	-1.39	-41.56
CS(=O)(=O)CCS(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555053	0	39	-1.0	-52.22	354.06	-1.92	-54.14
NS(=O)(=O)CCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555054	0	37	-1.0	-46.41	328.45	-3.13	-49.54
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555055	0	32	-1.0	-45.89	302.32	-4.79	-50.68
COC1=CC2=C(C=C1OC)N(C)C(=O)C(C(=O)NCC1=NC(=O)O[N-]1)=N2	REAL300025555056	0	40	-1.0	-47.74	343.38	0.66	-47.08
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CC(Br)=CC2=N1	REAL300025555057	0	27	-1.0	-43.50	272.90	2.14	-41.36
CNS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555058	0	37	-1.0	-43.46	316.99	-3.67	-47.13
O=C(NCC1=NC(=O)O[N-]1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300025555059	0	43	0.0	-49.81	342.09	4.62	-45.19
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555060	0	41	-1.0	-44.13	337.48	1.97	-42.16
CC1=CC=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(Cl)N=C12	REAL300025555061	0	32	-1.0	-38.32	295.12	2.72	-35.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=C1NC(=O)N2	REAL300025555062	0	28	-1.0	-38.02	275.90	-1.34	-39.36
N#CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)C2)C(F)=C1	REAL300025555063	0	37	-1.0	-37.02	326.58	1.89	-35.13
NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC(F)(F)F	REAL300025555064	0	30	-1.0	-38.00	280.91	-1.17	-39.17
CC(C)(C)OC(=O)N1CCOCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555065	0	45	-1.0	-38.40	352.97	0.05	-38.35
N#CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C(F)=C1	REAL300025555066	0	40	-1.0	-39.93	346.62	2.92	-37.01
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555067	0	33	-1.0	-37.66	286.13	2.00	-35.66
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300025555068	0	34	-1.0	-38.13	320.81	3.21	-34.92
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL300025555069	0	31	-1.0	-38.59	292.05	0.80	-37.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL300025555070	0	27	-1.0	-34.66	269.90	2.19	-32.47
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)C=C1C	REAL300025555071	0	37	-1.0	-57.56	311.79	1.26	-56.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=N1	REAL300025555072	0	27	-1.0	-37.87	264.34	-0.93	-38.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(Br)C(Cl)=C1	REAL300025555073	0	24	-1.0	-32.58	262.90	2.17	-30.41
CCOC(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=CC=C21	REAL300025555074	0	40	-1.0	-41.14	349.89	3.36	-37.78
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300025555075	0	46	0.0	-51.54	358.73	5.72	-45.82
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300025555075	1	46	0.0	-57.95	364.99	5.52	-52.43
O=C(NCC1=NC(=O)O[N-]1)C1=COC(SC2=NC=CC=N2)=N1	REAL300025555076	0	29	-1.0	-44.90	289.39	-2.28	-47.18
COC(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=CC=C21	REAL300025555077	0	37	-1.0	-41.16	328.03	2.44	-38.72
CCN1CCC([NH+]2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025555078	0	51	0.0	-56.25	371.11	2.04	-54.21
CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025555078	1	52	1.0	-113.95	378.61	4.67	-109.28
CC(CN1C=CC2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555079	0	37	-1.0	-37.06	316.28	4.28	-32.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1N1CCCC1	REAL300025555080	0	39	-1.0	-36.45	335.25	3.69	-32.76
CC(=O)C1=CC(Br)=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555081	0	33	-1.0	-45.55	316.57	3.73	-41.82
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Br)C(=O)N1	REAL300025555082	0	27	-1.0	-38.88	262.31	-0.76	-39.64
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(CC2=CC=CC=C2)O1	REAL300025555083	0	33	-1.0	-40.71	303.57	0.73	-39.98
CC(C)CC1=CC=CC(C(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555084	0	42	-1.0	-36.41	342.89	4.95	-31.46
O=C(NCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C2=CC=CC=C21	REAL300025555085	0	34	-1.0	-43.73	300.36	-0.30	-44.03
CC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=CS1	REAL300025555086	0	33	-1.0	-38.76	305.39	2.45	-36.31
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Br)=C1OC	REAL300025555087	0	32	-1.0	-36.32	303.99	1.01	-35.31
CN(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025555088	0	40	-1.0	-40.01	332.16	1.08	-38.93
CC1=CC(CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)=NO1	REAL300025555089	0	35	-1.0	-45.86	317.41	-0.09	-45.95
O=C(NCC1=NC(=O)O[N-]1)C1=CSC=C1Br	REAL300025555090	0	21	-1.0	-37.07	230.12	0.58	-36.49
COC1=CC(C)=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555091	0	31	-1.0	-40.29	287.86	2.79	-37.50
CCC(C)(C)C1CCC2(CC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555092	0	49	-1.0	-35.66	357.90	5.13	-30.53
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(Br)=C2)CC1	REAL300025555093	0	31	-1.0	-36.66	299.59	3.45	-33.21
CC(O)(CSC1=CC=CC(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555094	0	35	-1.0	-36.26	319.41	0.40	-35.86
CN1C=CN=C1C(CC(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025555095	0	33	-1.0	-39.14	299.15	1.36	-37.78
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025555096	0	37	-1.0	-43.09	314.90	2.92	-40.17
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555097	0	31	-1.0	-48.26	292.50	-3.57	-51.83
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CN=C2)=NO1	REAL300025555098	0	32	-1.0	-39.95	295.94	0.94	-39.01
O=C(CCCS(=O)(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025555099	0	36	-1.0	-45.11	344.63	0.84	-44.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300025555100	0	33	-1.0	-39.45	295.16	3.75	-35.70
CC1=NC2=C3C=CC=NC3=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555101	0	43	-1.0	-46.88	365.04	3.89	-42.99
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555102	0	41	-1.0	-38.90	345.45	5.65	-33.25
CN(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC2=CC=CC=C21	REAL300025555103	0	37	-1.0	-40.98	318.69	1.33	-39.65
NC1=NC(C2CCCC2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555104	0	37	-1.0	-35.45	307.64	0.65	-34.80
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300025555105	0	34	-1.0	-41.23	322.76	3.15	-38.08
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025555106	0	37	-1.0	-39.41	323.65	1.05	-38.36
CC1=C(Br)C=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555107	0	29	-1.0	-36.01	283.24	2.92	-33.09
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1Br	REAL300025555108	0	27	-1.0	-34.80	275.37	2.68	-32.12
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555109	0	39	-1.0	-37.54	340.99	4.60	-32.94
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300025555110	0	31	-2.0	-103.35	295.73	0.34	-103.01
O=C(NCC1=NC(=O)O[N-]1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300025555111	0	32	-1.0	-36.63	297.15	2.55	-34.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(F)=C1Br	REAL300025555112	0	24	-1.0	-33.99	259.82	2.23	-31.76
O=C(CSC1=NC=CN1CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025555113	0	38	-1.0	-40.96	347.83	4.62	-36.34
O=CC1=CN(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025555114	0	33	-1.0	-45.75	300.92	2.91	-42.84
O=C(NCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)CC1	REAL300025555115	0	35	-1.0	-36.82	291.35	-0.52	-37.34
O=C(NCC1=NC(=O)O[N-]1)C1COCCN1CC(F)(F)F	REAL300025555116	0	33	-1.0	-34.34	282.32	-2.53	-36.87
CS(=O)(=O)C1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555117	0	33	-1.0	-48.12	293.83	-0.37	-48.49
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025555118	0	30	-1.0	-42.77	286.13	-1.41	-44.18
CCN(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1Cl	REAL300025555119	0	38	-1.0	-38.77	326.59	1.94	-36.83
O=C(CC1=CSC(N2CCOCC2)=N1)NCC1=NC(=O)O[N-]1	REAL300025555120	0	36	-1.0	-40.76	318.61	-1.46	-42.22
CCCCCCCCC(O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555121	0	48	-1.0	-36.16	388.80	2.51	-33.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C(F)=CC=C2N1	REAL300025555122	0	28	-1.0	-35.87	281.66	1.63	-34.24
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025555123	0	48	-1.0	-43.91	369.19	3.67	-40.24
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(SCC2CC2)=C1F	REAL300025555124	0	35	-1.0	-42.58	329.96	4.42	-38.16
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025555125	0	40	-1.0	-40.59	340.15	-0.41	-41.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1	REAL300025555126	0	34	-1.0	-38.02	323.74	2.70	-35.32
COC1=CC=CC=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025555127	0	38	-1.0	-41.06	336.35	2.02	-39.04
CC1=NN=C(CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)O1	REAL300025555128	0	34	-1.0	-49.74	311.69	-5.33	-55.07
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1N1C=CC=N1	REAL300025555129	0	31	-1.0	-50.77	285.72	2.30	-48.47
CC(=O)NC1=CC([N+](=O)[O-])=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555130	0	33	-1.0	-37.56	305.66	1.09	-36.47
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2N=C1C1CC1	REAL300025555131	0	35	-1.0	-41.01	306.82	1.84	-39.17
CN1C2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C(=O)N(C)C1=O	REAL300025555132	0	33	-1.0	-38.39	307.32	0.52	-37.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(N2CCOCC2)C(F)=C1	REAL300025555133	0	37	-1.0	-35.37	317.17	0.15	-35.22
COC1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2)C=C1	REAL300025555134	0	38	-1.0	-39.23	336.51	1.48	-37.75
O=C(NCC1=NC(=O)O[N-]1)C(=CC1=CC=CC=C1)C(F)(F)F	REAL300025555135	0	31	-1.0	-38.74	281.55	3.19	-35.55
O=C(NCC1=NC(=O)O[N-]1)C(F)=CC1=CC=C(C(F)(F)F)C=C1	REAL300025555136	0	31	-1.0	-36.08	297.21	3.27	-32.81
O=C(NCC1=NC(=O)O[N-]1)C(F)CN(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300025555137	0	48	-1.0	-36.91	386.81	4.49	-32.42
O=C(NCC1=NC(=O)O[N-]1)C(F)C[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300025555137	1	49	0.0	-56.36	403.88	7.33	-49.03
CC1=NN(COCC[Si](C)(C)C)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555138	0	55	-1.0	-42.83	457.20	5.46	-37.37
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CN=C1	REAL300025555139	0	33	-1.0	-42.35	294.76	0.24	-42.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2S1	REAL300025555140	0	27	-1.0	-36.68	281.51	3.06	-33.62
COC1=CC=CC(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2)=C1	REAL300025555141	0	38	-1.0	-39.73	336.51	1.48	-38.25
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CCOCC1	REAL300025555142	0	41	-1.0	-38.40	326.36	2.67	-35.73
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL300025555143	0	34	-1.0	-36.94	315.82	4.19	-32.75
O=C(CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025555144	0	40	-1.0	-42.67	345.48	5.13	-37.54
N#CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025555145	0	29	-1.0	-39.18	295.16	2.53	-36.65
CC1=CC=C(Br)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555146	0	30	-1.0	-36.72	283.81	2.83	-33.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1	REAL300025555147	0	33	-1.0	-37.25	303.73	4.31	-32.94
O=C(CN1C(=O)C(F)(F)C2=CC([N+](=O)[O-])=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025555148	0	34	-1.0	-42.55	328.93	2.76	-39.79
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CN(C)N=C1	REAL300025555149	0	33	-1.0	-43.72	298.40	-0.99	-44.71
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025555150	0	30	-1.0	-37.71	285.37	2.89	-34.82
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NCC1=NC(=O)O[N-]1	REAL300025555151	0	33	-1.0	-43.75	296.76	0.81	-42.94
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(S(=O)(=O)CC2CC2)=C1F	REAL300025555152	0	37	-1.0	-45.55	349.06	0.95	-44.60
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1OC	REAL300025555153	0	35	-1.0	-40.65	321.95	1.50	-39.15
CC(C)(C)OC(=O)N1CCCC1CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025555154	0	50	-1.0	-46.25	412.22	1.49	-44.76
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025555155	0	41	-1.0	-42.08	333.78	0.12	-41.96
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1F	REAL300025555156	0	30	-1.0	-36.89	281.11	2.10	-34.79
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C2(CC2)C1	REAL300025555157	0	45	-1.0	-38.34	364.38	2.20	-36.14
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555158	0	39	-1.0	-40.23	331.90	1.76	-38.47
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC=C1Br	REAL300025555159	0	27	-1.0	-38.49	270.68	2.18	-36.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL300025555160	0	34	-1.0	-41.55	312.67	0.35	-41.20
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025555161	0	28	-1.0	-36.81	307.39	3.33	-33.48
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025555162	0	39	-1.0	-47.25	339.23	1.51	-45.74
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)SC=C1	REAL300025555163	0	21	-1.0	-36.54	230.09	0.67	-35.87
COC1=CC=C(OC(F)(F)F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555164	0	32	-1.0	-39.18	294.39	1.38	-37.80
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC2=C1OC(F)(F)O2	REAL300025555165	0	30	-1.0	-33.68	276.52	0.84	-32.84
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555166	0	47	-1.0	-38.58	393.78	1.12	-37.46
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=C(Cl)C(Cl)=C1	REAL300025555167	0	28	-1.0	-35.57	285.29	0.77	-34.80
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=C1N=C(NC1=CC=CC=C1)S2	REAL300025555168	0	42	-1.0	-42.60	359.24	4.45	-38.15
COC(=O)C[C@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025555169	0	50	-1.0	-46.68	409.03	2.69	-43.99
CC(C)(C)C(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025555170	0	39	-1.0	-47.51	332.33	1.63	-45.88
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025555171	0	30	-1.0	-36.78	276.67	2.92	-33.86
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025555172	0	27	-1.0	-36.76	267.51	2.61	-34.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN1CCN1CCOCC1	REAL300025555173	0	41	-1.0	-39.62	335.66	-0.16	-39.78
N#CC1=CC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555174	0	25	-1.0	-38.11	259.76	1.91	-36.20
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(I)=N1	REAL300025555175	0	20	-1.0	-38.72	236.65	-0.95	-39.67
CC(C)(C)OC(=O)N1CC(O)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555176	0	39	-1.0	-38.43	327.85	-2.75	-41.18
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1	REAL300025555177	0	32	-1.0	-38.10	312.83	1.66	-36.44
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)N2N=NN=C2N1C	REAL300025555178	0	35	-1.0	-38.64	299.79	1.36	-37.28
CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555179	0	52	-1.0	-37.85	388.69	4.27	-33.58
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025555180	0	33	-1.0	-40.63	311.31	-0.67	-41.30
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)(C2=CC=CC(Cl)=C2)C1	REAL300025555181	0	37	-1.0	-36.18	325.87	4.46	-31.72
COCCN1C=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=N1	REAL300025555182	0	42	-1.0	-40.34	361.87	-0.28	-40.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL300025555183	0	27	-1.0	-37.22	276.48	-1.11	-38.33
N#CC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1Cl	REAL300025555184	0	36	-1.0	-42.64	336.46	2.81	-39.83
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025555185	0	34	-1.0	-45.58	308.30	-1.59	-47.17
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025555186	0	38	-1.0	-39.62	321.18	2.66	-36.96
CC1=CC=CC(CNC(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025555187	0	44	-1.0	-38.59	380.34	3.86	-34.73
O=C(NCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(Cl)C=C1F	REAL300025555188	0	34	-1.0	-39.48	311.20	4.02	-35.46
O=C(CC1=NC(C2=CC=CC=C2)=CS1)NCC1=NC(=O)O[N-]1	REAL300025555189	0	33	-1.0	-41.14	308.85	2.46	-38.68
CC=CCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555190	0	38	-1.0	-39.30	331.72	3.41	-35.89
CN(C)C1=NC(Cl)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555191	0	28	-1.0	-39.20	278.55	0.38	-38.82
CC(=O)NC1=CC([N+](=O)[O-])=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555192	0	33	-1.0	-36.88	314.47	1.50	-35.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)OCC2=CC=CC=C2)N1	REAL300025555193	0	38	-1.0	-36.82	346.99	3.37	-33.45
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL300025555194	0	37	-1.0	-43.40	329.46	3.45	-39.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1	REAL300025555195	0	33	-1.0	-37.22	310.76	1.76	-35.46
CC1=NN=NN1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025555196	0	32	-1.0	-40.63	292.96	1.15	-39.48
O=C(CC1=C(C2=CC=CC=C2)N=CS1)NCC1=NC(=O)O[N-]1	REAL300025555197	0	33	-1.0	-39.37	301.71	2.12	-37.25
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555198	0	45	-1.0	-37.31	358.26	1.77	-35.54
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025555199	0	40	-1.0	-45.55	359.50	1.72	-43.83
CC(C)CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)F)=N1	REAL300025555200	0	36	-1.0	-39.28	316.78	2.05	-37.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Br)C=C1F	REAL300025555201	0	24	-1.0	-34.68	261.75	2.20	-32.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1C=C(Br)C=N1	REAL300025555202	0	30	-1.0	-42.62	296.02	2.45	-40.17
CCN(CC)C1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)OC2=C1	REAL300025555203	0	43	-1.0	-50.91	362.77	4.81	-46.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(=O)N1	REAL300025555204	0	27	-1.0	-40.24	262.94	-0.94	-41.18
O=C(CCC1=CC=CC=C1N1CCOCC1)NCC1=NC(=O)O[N-]1	REAL300025555205	0	43	-1.0	-37.18	352.49	1.97	-35.21
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(F)C(Br)=C1	REAL300025555206	0	23	-1.0	-33.54	243.15	-0.19	-33.73
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025555207	0	37	-1.0	-39.39	321.88	2.07	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1F	REAL300025555208	0	24	-1.0	-35.75	253.45	2.23	-33.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1Br	REAL300025555209	0	24	-1.0	-33.50	259.94	2.24	-31.26
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300025555210	0	24	-1.0	-35.71	273.11	2.25	-33.46
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555211	0	35	-1.0	-50.92	307.41	0.78	-50.14
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL300025555212	0	38	-1.0	-47.77	318.14	3.23	-44.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300025555213	0	29	-1.0	-40.66	284.48	3.74	-36.92
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Br)CCCCC1	REAL300025555214	0	40	-1.0	-37.36	323.75	4.64	-32.72
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CCN2C=CC=N2)C=C1	REAL300025555215	0	34	-1.0	-45.96	310.46	0.67	-45.29
CCN1C(=O)C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CN=C1	REAL300025555216	0	40	-1.0	-42.14	340.63	1.77	-40.37
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL300025555217	0	40	-1.0	-37.12	310.19	4.33	-32.79
O=C(NCC1=NC(=O)O[N-]1)C1COCCN1C(=O)OCC1=CC=CC=C1	REAL300025555218	0	43	-1.0	-43.98	363.30	2.12	-41.86
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555219	0	46	-1.0	-38.15	363.46	2.69	-35.46
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2)=C1	REAL300025555220	0	31	-1.0	-36.63	306.20	4.15	-32.48
CSC1=NC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025555221	0	26	-1.0	-38.51	272.85	0.28	-38.23
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300025555222	0	37	-1.0	-36.90	327.71	4.49	-32.41
COC1=CC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555223	0	31	-1.0	-37.43	287.13	2.61	-34.82
CCC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555224	0	27	-1.0	-34.92	275.89	2.17	-32.75
O=C(CCC1=CC(C(F)(F)F)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025555225	0	33	-1.0	-36.15	322.04	3.97	-32.18
O=C(CC1=CSC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025555226	0	24	-1.0	-36.69	255.13	1.22	-35.47
CCCN1C(=O)C2=CC=CC=C2N2C(=O)CCC21C(=O)NCC1=NC(=O)O[N-]1	REAL300025555227	0	46	-1.0	-46.13	373.79	3.25	-42.88
O=C(NCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCC(O)CC2)C=CS1	REAL300025555228	0	40	-1.0	-51.63	356.78	-2.12	-53.75
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC2=CC=CC=C2)SC=N1	REAL300025555229	0	32	-1.0	-41.45	295.84	0.91	-40.54
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300025555230	0	36	-1.0	-42.68	325.17	2.01	-40.67
O=C(NCC1=NC(=O)O[N-]1)C1CCC(OCC2CCCO2)CC1	REAL300025555231	0	45	-1.0	-38.11	358.19	1.64	-36.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL300025555232	0	33	-1.0	-40.73	295.57	-2.94	-43.67
CC1=CC(CC(C)(C)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025555233	0	39	-1.0	-35.15	336.20	4.56	-30.59
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC=C21	REAL300025555234	0	39	-1.0	-39.22	312.96	4.57	-34.65
CN(C)C1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555235	0	32	-1.0	-37.04	293.50	2.04	-35.00
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=NN(C)C=C1	REAL300025555236	0	33	-1.0	-45.42	299.55	0.17	-45.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300025555237	0	29	-1.0	-40.34	279.48	2.76	-37.58
O=C(NCC1=NC(=O)O[N-]1)C(=O)N1CCN(C2=CC=CC=C2)CC1	REAL300025555238	0	40	-1.0	-37.60	327.73	0.28	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCOCC1	REAL300025555239	0	41	-1.0	-38.70	332.77	2.74	-35.96
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Br)C=C2)C=C1	REAL300025555240	0	31	-1.0	-42.49	303.79	2.83	-39.66
COC1=CC=CC(C(=O)CCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555241	0	39	-1.0	-47.44	338.34	2.44	-45.00
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025555242	0	32	-1.0	-41.49	287.80	0.93	-40.56
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025555243	0	34	-2.0	-109.81	319.22	1.70	-108.11
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300025555244	0	31	-2.0	-102.60	306.05	0.80	-101.80
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300025555245	0	31	-2.0	-99.39	299.07	0.32	-99.07
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C(F)(F)F)=N1	REAL300025555246	0	26	-1.0	-32.95	266.60	-0.03	-32.98
COC(=O)C1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555247	0	30	-1.0	-37.15	297.18	2.31	-34.84
O=C(CC1=CNC2=CC=CC(Cl)=C12)NCC1=NC(=O)O[N-]1	REAL300025555248	0	31	-1.0	-42.34	290.32	2.14	-40.20
COC1=CC(Br)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025555249	0	32	-1.0	-36.90	295.97	0.91	-35.99
N#CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN=C1C(F)(F)F	REAL300025555250	0	27	-1.0	-34.42	274.21	0.57	-33.85
CC(C)C(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL300025555251	0	36	-1.0	-41.79	313.51	1.11	-40.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(F)=C1	REAL300025555252	0	28	-1.0	-38.13	266.49	0.72	-37.41
CC1CCCN(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=N2)C1	REAL300025555253	0	41	-1.0	-36.20	334.32	1.81	-34.39
CC1=CC=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555254	0	47	-1.0	-37.52	379.95	3.14	-34.38
CN1C=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025555255	0	24	-1.0	-42.21	245.97	-0.54	-42.75
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OC2CCOCC2)C(Cl)=C1	REAL300025555256	0	38	-1.0	-34.97	338.86	-0.31	-35.28
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NOC3=CC=C(Cl)C=C32)CC1	REAL300025555257	0	41	-1.0	-38.51	357.08	3.09	-35.42
CC1(C)C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025555258	0	35	-1.0	-37.92	304.44	0.56	-37.36
CS(=O)(=O)CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025555259	0	36	-1.0	-43.53	321.54	-0.15	-43.68
CC1(C)OC(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025555260	0	34	-1.0	-49.62	295.83	3.64	-45.98
CC(C)(O)C(OC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555261	0	38	-1.0	-39.79	311.76	0.52	-39.27
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1	REAL300025555262	0	33	-1.0	-42.97	314.11	2.92	-40.05
CC1=CC(Cl)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025555263	0	29	-1.0	-39.50	280.46	2.86	-36.64
O=C(CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL300025555264	0	34	-1.0	-43.97	315.56	3.03	-40.94
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCC3=NC(=O)O[N-]3)[C@H]2C1	REAL300025555265	0	42	-1.0	-39.34	347.38	1.87	-37.47
CC(C(=O)NCC1=NC(=O)O[N-]1)C1OCCC2=C1C=CS2	REAL300025555266	0	35	-1.0	-38.86	303.01	2.67	-36.19
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555267	0	42	-1.0	-40.29	338.69	2.65	-37.64
CC(C)[C@H](NC(=O)COC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555268	0	44	-1.0	-40.28	365.80	2.22	-38.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1Cl	REAL300025555269	0	24	-1.0	-33.83	256.20	2.12	-31.71
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025555270	0	24	-1.0	-36.89	249.11	-0.34	-37.23
O=C(COC1=CC=C(Cl)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025555271	0	28	-1.0	-37.46	277.26	2.18	-35.28
COC1=CC=CC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025555272	0	34	-1.0	-45.36	307.96	0.05	-45.31
NS(=O)(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555273	0	34	-1.0	-42.17	294.54	-4.94	-47.11
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555274	0	31	-1.0	-41.95	286.78	-5.16	-47.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC(=O)C1CC1	REAL300025555275	0	35	-1.0	-38.01	303.44	1.99	-36.02
COCCOCCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL300025555276	0	38	-1.0	-38.22	335.63	-1.64	-39.86
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555277	0	37	-1.0	-36.20	321.36	3.87	-32.33
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N2C=C(Cl)C=CC2=N1	REAL300025555278	0	33	-1.0	-39.15	311.18	3.12	-36.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1	REAL300025555279	0	34	-1.0	-39.21	323.50	3.80	-35.41
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=C(Br)C=C21	REAL300025555280	0	30	-1.0	-36.39	296.11	3.68	-32.71
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300025555281	0	35	-1.0	-45.72	291.56	3.94	-41.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL300025555282	0	29	-1.0	-39.12	274.25	1.55	-37.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(Br)=C1	REAL300025555283	0	30	-1.0	-37.95	285.54	3.83	-34.12
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300025555284	0	38	-1.0	-45.79	321.80	3.09	-42.70
CC(C(=O)NCC1=NC(=O)O[N-]1)N(C(=O)OC(C)(C)C)C1CC1	REAL300025555285	0	44	-1.0	-38.32	343.92	2.10	-36.22
CN1N=CC(I)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555286	0	24	-1.0	-35.68	254.47	-0.25	-35.93
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=C(C#N)C=C12	REAL300025555287	0	31	-1.0	-38.44	295.70	3.46	-34.98
CC(C)(C)OC(=O)N1CCCC1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555288	0	47	-1.0	-43.36	374.28	2.66	-40.70
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C(Br)=CN=C2S1	REAL300025555289	0	24	-1.0	-35.41	262.87	1.39	-34.02
COCCOCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555290	0	38	-1.0	-40.31	331.67	1.01	-39.30
O=C(C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025555291	0	39	-1.0	-38.19	350.68	5.17	-33.02
CC1=CC=C(Br)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555292	0	30	-1.0	-36.70	281.93	2.49	-34.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1Br	REAL300025555293	0	24	-1.0	-37.08	243.10	1.71	-35.37
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1F	REAL300025555294	0	44	-1.0	-40.06	378.48	2.34	-37.72
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555295	0	35	-1.0	-36.63	317.49	1.51	-35.12
NC1=CC=CC=C1S(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555296	0	34	-1.0	-41.18	310.20	-4.28	-45.46
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025555297	0	30	-1.0	-35.56	282.98	2.89	-32.67
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Br)=C1	REAL300025555298	0	33	-1.0	-36.39	307.59	3.63	-32.76
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555299	0	37	-1.0	-40.14	320.34	1.46	-38.68
COC(=O)C12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025555300	0	40	-1.0	-36.78	320.19	2.65	-34.13
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2F)=N1	REAL300025555301	0	39	-1.0	-42.32	346.91	4.20	-38.12
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(F)=C2)CCOCC1	REAL300025555302	0	41	-1.0	-36.63	332.77	2.74	-33.89
O=C(CC1=C(Br)C=CS1)NCC1=NC(=O)O[N-]1	REAL300025555303	0	24	-1.0	-36.45	255.43	1.38	-35.07
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OC2CCCCC2)C(Cl)=C1	REAL300025555304	0	40	-1.0	-34.48	347.91	2.09	-32.39
COC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025555305	0	44	-1.0	-39.02	338.67	4.19	-34.83
CN(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025555306	0	39	-1.0	-39.28	324.04	3.14	-36.14
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC2=CC=CN=C2)SC=N1	REAL300025555307	0	31	-1.0	-41.90	290.69	-0.84	-42.74
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCC1=NC(=O)O[N-]1	REAL300025555308	0	35	-1.0	-43.44	302.28	0.96	-42.48
CN1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025555309	0	40	-1.0	-39.91	326.91	0.52	-39.39
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025555309	1	41	0.0	-66.89	334.27	3.38	-63.51
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025555309	1	41	0.0	-66.57	334.47	3.36	-63.21
CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025555310	0	48	-1.0	-41.11	375.27	3.50	-37.61
CN(C(=O)OC(C)(C)C)C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025555311	0	44	-1.0	-43.62	350.48	2.18	-41.44
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025555312	0	29	-1.0	-41.20	283.97	2.25	-38.95
CC1=CC(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C12	REAL300025555313	0	33	-1.0	-40.07	291.94	0.71	-39.36
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2Br)CC1	REAL300025555314	0	34	-1.0	-36.33	311.34	4.11	-32.22
CS(=O)(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025555315	0	34	-1.0	-42.09	285.88	-3.65	-45.74
CCC1C(C(=O)NCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025555316	0	47	-1.0	-39.47	363.03	2.74	-36.73
CC1=CC=C(C2=CSC(C(=O)NCC3=NC(=O)O[N-]3)=C2N2C=CC=C2)C=C1	REAL300025555317	0	42	-1.0	-38.77	375.26	7.69	-31.08
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025555318	0	36	-1.0	-40.14	302.82	1.32	-38.82
O=C(NCC1=NC(=O)O[N-]1)C(=O)NC1=CC=C(Cl)C(F)=C1	REAL300025555319	0	28	-1.0	-39.49	281.19	-0.13	-39.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300025555320	0	26	-1.0	-37.90	281.05	3.92	-33.98
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC(C2=C(F)C=CC=C2F)=N1	REAL300025555321	0	39	-1.0	-46.28	350.10	4.43	-41.85
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2Cl)C1	REAL300025555322	0	36	-1.0	-36.46	317.89	2.31	-34.15
CC1=CC(=O)C=C(C)N1CCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555323	0	39	-1.0	-50.96	325.33	2.72	-48.24
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2F)C1	REAL300025555324	0	36	-1.0	-37.36	308.15	1.64	-35.72
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025555325	0	36	-1.0	-35.12	304.59	3.57	-31.55
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555326	0	45	-1.0	-41.27	373.66	5.73	-35.54
C=CC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2=CC=CC=C2)CC1	REAL300025555327	0	45	-1.0	-41.09	360.15	3.62	-37.47
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)NC1=CC=CC=C1	REAL300025555328	0	40	-1.0	-48.12	337.93	1.95	-46.17
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL300025555329	0	35	-1.0	-41.02	297.14	-0.05	-41.07
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=N1	REAL300025555330	0	29	-1.0	-43.26	290.80	-2.82	-46.08
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025555331	0	33	-1.0	-43.22	304.89	0.78	-42.44
CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555332	0	51	-1.0	-41.94	402.44	4.08	-37.86
CC(C)(C)OC(=O)N1CCN(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555333	0	46	-1.0	-40.61	359.13	-0.51	-41.12
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025555334	0	23	-1.0	-39.50	248.09	-0.53	-40.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1	REAL300025555335	0	32	-1.0	-39.19	309.61	2.91	-36.28
CCOC(=O)NC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=CS1	REAL300025555336	0	31	-1.0	-39.32	294.03	-2.25	-41.57
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)(C)O	REAL300025555337	0	44	-1.0	-36.45	351.38	-2.97	-39.42
CC1=CSC(NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025555338	0	35	-1.0	-37.78	317.99	2.06	-35.72
NC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NC(N2CCOCC2)=N1	REAL300025555339	0	36	-1.0	-39.31	312.81	-0.34	-39.65
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OCC(F)F)C=N1	REAL300025555340	0	29	-1.0	-39.94	280.19	-2.79	-42.73
CC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025555341	0	40	-1.0	-38.95	305.44	4.48	-34.47
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555342	0	38	-1.0	-45.51	331.28	-1.99	-47.50
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555343	0	43	-1.0	-39.08	351.23	1.54	-37.54
CC(C)CC(=O)NC(CC1=CN=CN1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555343	1	43	-1.0	-41.42	351.14	0.00	-41.42
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300025555344	0	38	-1.0	-40.70	314.21	0.47	-40.23
CN1C=C(C2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025555345	0	33	-1.0	-42.05	292.82	0.50	-41.55
CC1=CC=CC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555346	0	27	-1.0	-39.26	264.41	1.97	-37.29
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1Cl	REAL300025555347	0	29	-1.0	-42.36	277.03	2.01	-40.35
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300025555348	0	41	0.0	-61.05	325.14	3.35	-57.70
COC1=C(Cl)C=C2NC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025555349	0	32	-1.0	-40.41	298.99	0.86	-39.55
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=C2)OC1=O	REAL300025555350	0	34	-1.0	-44.59	300.57	2.98	-41.61
CC(C)(C)OC(=O)NC(C)(C)C1=NOC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555351	0	46	-1.0	-37.08	367.43	-0.02	-37.10
CN1N=NC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555352	0	23	-1.0	-36.01	242.83	-2.20	-38.21
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C(C(F)(F)F)C=C1F	REAL300025555353	0	27	-1.0	-36.66	276.06	2.01	-34.65
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300025555354	0	40	0.0	-54.83	324.43	3.84	-50.99
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025555354	1	40	0.0	-54.70	326.33	3.97	-50.73
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Br)S1	REAL300025555355	0	20	-1.0	-34.93	230.18	-1.16	-36.09
CCC(C)(C)C1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(C(C)(C)CC)=C1	REAL300025555356	0	58	-1.0	-37.49	432.32	7.46	-30.03
O=C(CCOC1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025555357	0	37	-1.0	-37.94	321.64	3.64	-34.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)(=O)C(F)(F)F	REAL300025555358	0	30	-1.0	-41.01	285.74	0.17	-40.84
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555359	0	43	-1.0	-35.57	342.08	0.22	-35.35
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025555360	0	48	-1.0	-46.18	384.12	1.18	-45.00
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1Br	REAL300025555361	0	29	-1.0	-42.26	280.76	2.12	-40.14
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555362	0	37	-1.0	-38.07	330.71	4.95	-33.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)CSC2=C1	REAL300025555363	0	30	-1.0	-38.04	281.11	0.08	-37.96
CCCC1=NN=C(SCC(=O)NCC2=NC(=O)O[N-]2)N1N	REAL300025555364	0	35	-1.0	-40.27	322.65	0.79	-39.48
CC1C(C(=O)NCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025555365	0	47	-1.0	-42.50	355.61	2.96	-39.54
O=C(NCC1=NC(=O)O[N-]1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300025555366	0	37	-1.0	-34.55	301.47	2.87	-31.68
CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555367	0	53	-1.0	-40.41	411.91	3.97	-36.44
COC1=CC=CC(CC2(C(=O)NCC3=NC(=O)O[N-]3)CCCCC2)=C1	REAL300025555368	0	47	-1.0	-39.38	363.80	4.37	-35.01
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC(C2=C(F)C=CC=C2Cl)=N1	REAL300025555369	0	39	-1.0	-42.70	353.59	4.99	-37.71
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC(F)=CC=C2F)=N1	REAL300025555370	0	39	-1.0	-43.68	352.87	4.51	-39.17
O=C(NCC1=NC(=O)O[N-]1)C1CCOC(C2=CC=CC=C2)O1	REAL300025555371	0	36	-1.0	-38.28	302.87	2.13	-36.15
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL300025555372	0	33	-1.0	-39.07	308.29	2.88	-36.19
CC1=CC(F)=CC=C1C1=NC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025555373	0	42	-1.0	-40.44	369.69	5.02	-35.42
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300025555374	0	31	-2.0	-103.85	289.32	0.28	-103.57
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300025555375	0	36	-1.0	-42.33	333.58	0.38	-41.95
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(Cl)=C2)CCCCC1	REAL300025555376	0	43	-1.0	-37.10	351.10	5.56	-31.54
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(F)=C2)CCCCC1	REAL300025555377	0	43	-1.0	-37.30	340.78	5.11	-32.19
CC(C)(C)OC(=O)N1CC(C(F)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555378	0	41	-1.0	-39.45	345.62	1.07	-38.38
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CS2)CCCCC1	REAL300025555379	0	40	-1.0	-37.65	325.42	4.17	-33.48
CC1=NC(Cl)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555380	0	26	-1.0	-32.54	264.49	0.80	-31.74
CC1=NOC(CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)=C1	REAL300025555381	0	35	-1.0	-45.01	317.41	-0.06	-45.07
CC1=CC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025555382	0	36	-1.0	-35.91	315.89	3.83	-32.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC(F)=CC=C21	REAL300025555383	0	30	-1.0	-37.81	281.25	3.14	-34.67
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C=NC2=C(Br)C=CC=C21	REAL300025555384	0	30	-1.0	-38.94	295.87	-0.86	-39.80
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300025555384	1	29	-2.0	-92.45	292.31	-0.09	-92.54
COC1=CC=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025555385	0	34	-1.0	-42.87	306.07	-1.26	-44.13
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555386	0	38	-1.0	-38.37	321.09	3.32	-35.05
CN1C(CC(=O)NCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CC=C1	REAL300025555387	0	36	-1.0	-46.93	315.65	3.08	-43.85
CC(=O)C1=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=C(C)C=C2O1	REAL300025555388	0	38	-1.0	-42.43	335.02	3.36	-39.07
O=C(CCSC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025555389	0	31	-1.0	-35.63	302.67	3.50	-32.13
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555390	0	41	-1.0	-43.19	352.30	2.45	-40.74
O=C(NCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=C(F)C=C2)CCCCC1	REAL300025555391	0	43	-1.0	-41.04	360.93	1.72	-39.32
O=C(NCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=CC=C2)CCCCC1	REAL300025555392	0	43	-1.0	-43.18	354.54	1.65	-41.53
O=C(NCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=CC=C2)CCOCC1	REAL300025555393	0	41	-1.0	-44.01	343.77	-0.33	-44.34
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=C(Cl)C=C1F	REAL300025555394	0	28	-1.0	-37.85	271.13	0.47	-37.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1	REAL300025555395	0	37	-1.0	-40.00	344.54	6.21	-33.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1Br	REAL300025555396	0	23	-1.0	-33.78	249.66	0.32	-33.46
COC(C)(C)C1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555397	0	36	-1.0	-37.39	314.12	-0.29	-37.68
CC1=CC(C(F)(F)F)=NN1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555398	0	30	-1.0	-40.50	289.10	0.60	-39.90
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555399	0	30	-1.0	-39.73	301.80	0.99	-38.74
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1	REAL300025555400	0	31	-1.0	-36.21	294.96	3.69	-32.52
CC(C)(C)OC(=O)NCCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025555401	0	49	-1.0	-49.60	413.28	-0.47	-50.07
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555402	0	45	-1.0	-41.27	373.66	5.73	-35.54
CC(C)(C)OC(=O)N1CCC(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)CC1	REAL300025555403	0	50	-1.0	-41.34	407.48	0.64	-40.70
CC(C)(C)OC(=O)NCCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555404	0	47	-1.0	-42.39	381.92	2.21	-40.18
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=NC2=C(N)N=CN=C21	REAL300025555405	0	33	-1.0	-39.95	295.47	0.65	-39.30
O=C(CC(C1=CC=C(O)C=C1)C1CC1)NCC1=NC(=O)O[N-]1	REAL300025555406	0	38	-1.0	-37.48	322.50	1.53	-35.95
CC1(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)OCCO1	REAL300025555407	0	32	-1.0	-39.24	297.47	-1.48	-40.72
CC(C)(C)OC(=O)NC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC=C1	REAL300025555408	0	38	-1.0	-39.05	322.71	-0.53	-39.58
O=C(NCC1=NC(=O)O[N-]1)C1CN(C(=O)C2CCCCC2)C1	REAL300025555409	0	41	-1.0	-39.18	336.09	1.87	-37.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CN=C1	REAL300025555410	0	38	-1.0	-40.32	327.06	2.26	-38.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CC=C1Cl	REAL300025555411	0	39	-1.0	-39.40	346.63	4.48	-34.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=N1	REAL300025555412	0	23	-1.0	-37.00	246.15	0.41	-36.59
CC(C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(F)(F)F	REAL300025555413	0	33	-1.0	-38.04	296.09	3.22	-34.82
CC1=CC=C(OC2=CC=CC=C2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555414	0	41	-1.0	-40.78	353.90	5.19	-35.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)CC2CC2)C=C1	REAL300025555415	0	37	-1.0	-42.28	334.83	1.06	-41.22
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555416	0	37	-1.0	-37.79	317.57	3.76	-34.03
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025555417	0	32	-1.0	-47.91	306.09	0.27	-47.64
CC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025555418	0	29	-1.0	-39.77	280.79	3.82	-35.95
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300025555419	0	34	-1.0	-40.77	306.98	3.88	-36.89
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300025555420	0	34	-1.0	-36.65	312.39	4.08	-32.57
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2Cl)=C1	REAL300025555421	0	41	-1.0	-44.86	374.52	5.80	-39.06
O=C(CC1CS(=O)(=O)C2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL300025555422	0	35	-1.0	-46.54	316.98	-0.60	-47.14
CC1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2)C=C1	REAL300025555423	0	37	-1.0	-38.78	328.42	2.86	-35.92
CC1=CC(OCC2=CC=CC=C2)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555424	0	38	-1.0	-43.80	344.94	5.12	-38.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=NC=CS2)C=C1F	REAL300025555425	0	32	-1.0	-39.20	300.68	1.56	-37.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(F)=C2)C=N1	REAL300025555426	0	34	-1.0	-38.20	313.43	2.26	-35.94
CC1=CC=CC=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025555427	0	37	-1.0	-39.58	327.93	2.87	-36.71
O=C(CC1=CC=CC=C1OC1CCCC1)NCC1=NC(=O)O[N-]1	REAL300025555428	0	41	-1.0	-39.21	339.62	3.99	-35.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1	REAL300025555429	0	34	-1.0	-37.90	323.75	2.70	-35.20
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025555430	0	35	-1.0	-38.15	322.53	2.63	-35.52
CC1=CC=CC(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2)=C1	REAL300025555431	0	37	-1.0	-38.82	328.42	2.87	-35.95
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555432	0	36	-1.0	-35.16	313.48	3.90	-31.26
CC(C)(C)OC(=O)NCC1OCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555433	0	45	-1.0	-44.57	362.82	-1.46	-46.03
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)OC(C)(C)C)=C1	REAL300025555434	0	42	-1.0	-37.73	352.18	4.41	-33.32
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1	REAL300025555435	0	31	-1.0	-36.20	294.96	3.70	-32.50
CC1=CC(Br)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555436	0	24	-1.0	-36.57	252.72	1.46	-35.11
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555437	0	44	-1.0	-38.82	350.98	0.81	-38.01
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N=C2CCCCN21	REAL300025555438	0	31	-1.0	-39.81	290.28	1.54	-38.27
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555439	0	35	-1.0	-36.10	314.22	2.62	-33.48
NS(=O)(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL300025555440	0	26	-1.0	-41.13	261.06	-3.84	-44.97
COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1S(N)(=O)=O	REAL300025555441	0	37	-1.0	-45.13	338.01	-2.99	-48.12
CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555442	0	44	-1.0	-41.27	361.02	-3.89	-45.16
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555443	0	29	-2.0	-95.51	280.52	-4.44	-99.95
NS(=O)(=O)C1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555443	1	30	-1.0	-46.15	284.08	-5.45	-51.60
NS(=O)(=O)C1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555444	0	33	-1.0	-44.46	308.83	-3.42	-47.88
NS(=O)(=O)C1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555445	0	33	-1.0	-43.13	318.43	-2.85	-45.98
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025555446	0	29	-1.0	-39.32	288.33	-3.46	-42.78
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)NCC1=NC(=O)O[N-]1	REAL300025555447	0	32	-1.0	-38.03	304.07	0.48	-37.55
C[N@@H+]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL300025555448	0	40	0.0	-58.79	324.87	3.70	-55.09
C[N@H+]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL300025555448	1	40	0.0	-54.74	324.71	3.82	-50.92
CCOC(CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1)OCC	REAL300025555449	0	41	-1.0	-39.37	350.96	0.48	-38.89
CCC1(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)COC1	REAL300025555450	0	37	-1.0	-44.91	314.98	-1.09	-46.00
CC(C)[NH+]1CCN(CCCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555451	0	47	0.0	-55.34	358.17	1.45	-53.89
CC(C)N1CC[NH+](CCCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555451	1	47	0.0	-56.41	354.49	1.23	-55.18
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1	REAL300025555452	0	33	-1.0	-42.70	334.82	2.15	-40.55
CNC1=NC=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025555453	0	33	-1.0	-40.21	290.94	1.26	-38.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(N2CCOCC2)=C1	REAL300025555454	0	37	-1.0	-36.99	311.50	-0.07	-37.06
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025555455	0	24	-1.0	-38.47	247.03	-0.74	-39.21
COC1=CC(Cl)=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555456	0	28	-1.0	-38.19	271.31	0.91	-37.28
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555457	0	34	-1.0	-38.38	306.61	2.88	-35.50
C[C@H](C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025555458	0	34	-1.0	-44.93	304.51	2.10	-42.83
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555459	0	37	-1.0	-35.64	328.56	2.80	-32.84
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N=C2CCCN21	REAL300025555460	0	28	-1.0	-38.81	265.70	1.07	-37.74
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NN=C(C3=CC=CC=C3)N2C1	REAL300025555461	0	40	-1.0	-40.50	334.59	4.33	-36.17
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025555462	0	31	-1.0	-38.81	294.45	2.13	-36.68
CC1=CC=CC(C2=NN=C3CCC(C(=O)NCC4=NC(=O)O[N-]4)CN32)=C1	REAL300025555463	0	43	-1.0	-40.51	355.96	5.01	-35.50
N#CC1=C(Br)C=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555464	0	29	-1.0	-45.76	294.58	2.52	-43.24
CC(C)(C)OC(=O)NCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025555465	0	46	-1.0	-46.66	391.78	-1.24	-47.90
CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555466	0	53	-1.0	-39.53	407.51	4.06	-35.47
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555467	0	41	-1.0	-38.92	332.31	3.16	-35.76
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555468	0	34	-1.0	-36.38	311.88	3.76	-32.62
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=C(Cl)C=CC=C12	REAL300025555469	0	31	-1.0	-37.61	289.24	2.18	-35.43
CN1N=CC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555470	0	24	-1.0	-36.13	248.00	-0.73	-36.86
CC1=CC=CC(CS(=O)(=O)CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555471	0	39	-1.0	-44.99	352.15	0.90	-44.09
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025555472	0	44	-1.0	-38.93	377.47	0.32	-38.61
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL300025555473	0	31	-1.0	-36.11	305.57	4.05	-32.06
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1	REAL300025555474	0	41	-1.0	-40.23	357.92	3.46	-36.77
CN1C=C(C(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555475	0	43	-1.0	-40.87	376.38	6.21	-34.66
O=C(CC1CSC2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL300025555476	0	33	-1.0	-40.89	298.45	3.07	-37.82
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2=CC=CC=C2)C1	REAL300025555477	0	51	-1.0	-41.48	405.68	4.69	-36.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL300025555478	0	37	-1.0	-38.86	323.92	5.50	-33.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300025555479	0	43	0.0	-60.16	341.04	4.80	-55.36
CC(C)OC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025555480	0	36	-1.0	-36.29	316.37	3.33	-32.96
CC1=CC=CC=C1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025555481	0	33	-1.0	-42.50	299.46	1.64	-40.86
CCOC1=CC=C(CC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555482	0	40	-1.0	-36.87	333.87	3.23	-33.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL300025555483	0	33	-1.0	-39.14	301.88	3.75	-35.39
CC1(C)CC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025555484	0	38	-1.0	-37.80	311.03	2.79	-35.01
CCC(CC)OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555485	0	40	-1.0	-36.49	326.27	3.30	-33.19
O=C(CC1=CC=CC=C1OC1CCOC1)NCC1=NC(=O)O[N-]1	REAL300025555486	0	39	-1.0	-42.12	329.90	1.43	-40.69
CC1=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCCC2)=CC=C1Br	REAL300025555487	0	43	-1.0	-36.38	353.18	5.51	-30.87
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555488	0	35	-1.0	-38.24	323.02	2.62	-35.62
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)NCC1=NC(=O)O[N-]1	REAL300025555489	0	33	-1.0	-44.03	305.97	-0.52	-44.55
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2CCCCC2)=N1	REAL300025555490	0	36	-1.0	-40.21	313.07	1.98	-38.23
CCC1=CC=CC=C1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025555491	0	36	-1.0	-42.67	312.95	2.23	-40.44
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)S1	REAL300025555492	0	23	-1.0	-35.25	254.93	0.66	-34.59
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300025555493	0	27	-1.0	-36.15	283.94	2.66	-33.49
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300025555493	1	26	-2.0	-101.42	282.61	0.84	-100.58
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=CC=C1	REAL300025555494	0	39	-1.0	-43.76	339.11	2.37	-41.39
CN(CCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025555495	0	50	-1.0	-38.04	399.50	4.75	-33.29
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555496	0	43	-1.0	-39.09	359.62	0.30	-38.79
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=C(F)C=CC=C2F)=N1	REAL300025555497	0	30	-1.0	-45.75	290.32	-0.10	-45.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=C(Cl)C=C2O1	REAL300025555498	0	29	-1.0	-35.34	287.74	1.82	-33.52
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCC1	REAL300025555499	0	44	-1.0	-35.16	348.88	0.62	-34.54
CC(C)=CCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555500	0	41	-1.0	-39.57	349.50	3.99	-35.58
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C2=C1CCCC2	REAL300025555501	0	41	-1.0	-50.12	349.60	4.61	-45.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CCC2)C=C1	REAL300025555502	0	37	-1.0	-41.76	329.30	0.90	-40.86
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=C2C=CC=CN21	REAL300025555503	0	30	-1.0	-43.40	292.34	2.28	-41.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300025555504	0	30	-1.0	-41.88	279.19	-0.03	-41.91
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL300025555505	0	38	-1.0	-39.10	302.98	2.11	-36.99
COC1=CC=C(Br)C=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555506	0	35	-1.0	-38.64	324.71	2.85	-35.79
CC(C)(C)OC(=O)NC1=C(F)C=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025558114	0	41	-1.0	-41.22	358.08	1.70	-39.52
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C(F)(F)F)CC1C(F)(F)F	REAL300025558115	0	36	-1.0	-37.85	319.86	2.85	-35.00
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025558116	0	40	0.0	-61.91	329.26	2.75	-59.16
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)CC1=CC=C(Br)C=C1	REAL300025558117	0	30	-1.0	-34.82	298.69	3.26	-31.56
CC(C)(C)C1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025558118	0	46	-1.0	-49.80	355.31	2.71	-47.09
O=C(NCC1=NC(=O)O[N-]1)C1=COC(CN2C=C(Br)C=N2)=C1	REAL300025558119	0	31	-1.0	-41.88	310.49	1.48	-40.40
O=C(CC1=C(F)C=CC(F)=C1Br)NCC1=NC(=O)O[N-]1	REAL300025558120	0	27	-1.0	-37.92	274.84	2.30	-35.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300025558121	0	38	-1.0	-52.49	326.71	0.88	-51.61
CN=S(C)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558122	0	34	-1.0	-44.23	309.27	-1.53	-45.76
CC(C)(C)OC(=O)NOCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025558123	0	41	-1.0	-43.88	347.12	-0.08	-43.96
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300025558124	0	34	-1.0	-40.94	311.64	1.75	-39.19
COC1=CC=C2C(=C1)CCCC2C(=O)NCC1=NC(=O)O[N-]1	REAL300025558125	0	38	-1.0	-38.41	312.23	2.84	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300025558126	0	33	-1.0	-41.41	309.41	3.26	-38.15
CCCCSC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558127	0	37	-1.0	-37.56	325.77	4.49	-33.07
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=C(Cl)C=C1Cl	REAL300025558128	0	28	-1.0	-37.16	277.39	0.90	-36.26
O=C(CC1=C(Br)C=CC(Cl)=C1F)NCC1=NC(=O)O[N-]1	REAL300025558129	0	27	-1.0	-37.44	285.32	2.76	-34.68
O=C(CC1=CC=C(Br)C2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025558130	0	33	-1.0	-38.09	306.85	4.36	-33.73
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=CC=C(Br)C=C12	REAL300025558131	0	27	-1.0	-38.13	271.11	2.01	-36.12
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558132	0	48	-1.0	-36.26	374.00	1.59	-34.67
O=C(NCC1=NC(=O)O[N-]1)C1CCC(OC(F)(F)F)CC1	REAL300025558133	0	34	-1.0	-37.15	288.77	0.63	-36.52
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558134	0	33	-1.0	-35.59	314.43	3.98	-31.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2O1	REAL300025558135	0	27	-1.0	-37.50	273.62	2.05	-35.45
CC1=C(F)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1I	REAL300025558136	0	27	-1.0	-34.41	271.70	2.70	-31.71
CC(CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1)NC(=O)OC(C)(C)C	REAL300025558137	0	47	-1.0	-46.25	394.56	0.31	-45.94
COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)F)=N1	REAL300025558138	0	29	-1.0	-36.57	272.86	-3.35	-39.92
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC(F)=C2C1	REAL300025558139	0	48	-1.0	-37.78	386.74	4.26	-33.52
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1CNC(=O)OC(C)(C)C	REAL300025558140	0	50	-1.0	-38.62	402.97	2.51	-36.11
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1CN(C)C(=O)OC(C)(C)C	REAL300025558141	0	53	-1.0	-39.66	407.00	4.66	-35.00
COC1=CC=C(N2CCCCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558142	0	43	-1.0	-41.19	345.29	2.97	-38.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=N2)S1	REAL300025558143	0	30	-1.0	-38.79	288.40	2.07	-36.72
COC1CC(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025558144	0	48	-1.0	-43.75	377.01	1.15	-42.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1	REAL300025558145	0	36	-1.0	-43.57	323.90	1.84	-41.73
O=C(C#CC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025558146	0	26	-1.0	-35.94	274.20	3.02	-32.92
CC(C)(C)OC(=O)NCC1CC(CC(=O)NCC2=NC(=O)O[N-]2)CO1	REAL300025558147	0	48	-1.0	-40.50	387.51	-0.58	-41.08
CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558148	0	50	-1.0	-41.19	402.88	2.98	-38.21
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)CO2)CC1	REAL300025558149	0	52	-1.0	-38.43	404.74	2.16	-36.27
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)C(F)(F)CC1	REAL300025558150	0	50	-1.0	-41.57	390.02	4.13	-37.44
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025558151	0	45	-1.0	-38.00	359.37	1.70	-36.30
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300025558152	0	40	-1.0	-39.73	354.67	6.24	-33.49
COC(=O)C1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C2C=C1	REAL300025558153	0	33	-1.0	-39.80	302.79	0.37	-39.43
COC(=O)C1=CC=C2NN=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025558153	1	33	-1.0	-45.49	304.75	0.34	-45.15
O=C(NCC1=NC(=O)O[N-]1)C1CC(F)(F)CN1C(=O)OCC1=CC=CC=C1	REAL300025558154	0	42	-1.0	-42.26	371.07	4.09	-38.17
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NCC1=NC(=O)O[N-]1)=CC(=O)N2	REAL300025558155	0	48	-1.0	-48.52	386.42	1.04	-47.48
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL300025558156	0	46	-1.0	-44.46	385.64	1.85	-42.61
CC1=NOC(C(=O)NCC2=NC(=O)O[N-]2)(C2=CC=CC=C2)C1	REAL300025558157	0	35	-1.0	-43.48	306.04	1.87	-41.61
CC(C)(C)OC(=O)C12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)CO2	REAL300025558158	0	41	-1.0	-36.79	341.62	1.26	-35.53
COC(=O)CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCCCC1	REAL300025558159	0	41	-1.0	-36.88	327.39	0.56	-36.32
COC(=O)CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCCCC1	REAL300025558159	1	42	0.0	-42.67	326.56	2.37	-40.30
CC(C)(C)OC(=O)NCC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558160	0	41	-1.0	-37.28	351.38	-2.15	-39.43
CN(CC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1)C(=O)OC(C)(C)C	REAL300025558161	0	51	-1.0	-41.02	421.58	4.63	-36.39
CC(C)(C)OC(=O)N1CCCCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025558162	0	47	-1.0	-41.38	361.17	2.98	-38.40
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)NCC3=NC(=O)O[N-]3)C[C@@H]2C1	REAL300025558163	0	48	-1.0	-41.58	376.95	2.77	-38.81
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025558164	0	45	-1.0	-45.41	359.84	2.63	-42.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300025558165	0	36	-1.0	-38.10	317.75	4.30	-33.80
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=NS1	REAL300025558166	0	40	-1.0	-37.32	355.07	-0.38	-37.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCNS2(=O)=O)=C1	REAL300025558167	0	38	-1.0	-43.42	334.66	-1.93	-45.35
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2CCC2)C1	REAL300025558168	0	51	-1.0	-42.45	390.82	3.71	-38.74
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558169	0	41	-1.0	-42.72	338.69	0.94	-41.78
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCC1	REAL300025558170	0	47	-1.0	-35.96	378.52	1.87	-34.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300025558171	0	37	-1.0	-38.37	323.92	5.51	-32.86
C[C@@H](C1=CC=C(Cl)C=C1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025558172	0	41	-1.0	-40.30	358.10	3.99	-36.31
CC(C)(C)OC(=O)NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C2S1	REAL300025558173	0	43	-1.0	-44.19	378.15	0.83	-43.36
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558174	0	48	-1.0	-42.09	382.86	2.79	-39.30
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025558175	0	50	-1.0	-46.09	379.87	3.14	-42.95
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL300025558176	0	51	-1.0	-38.00	412.37	4.47	-33.53
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025558177	0	48	-1.0	-40.90	373.99	3.84	-37.06
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558178	0	45	-1.0	-39.94	358.88	-0.43	-40.37
CC(C)(C)OC(=O)N1[C@@H](C(F)(F)F)CC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558179	0	44	-1.0	-44.10	362.96	2.88	-41.22
CC1(C)CC2=CC=CC(CC(=O)NCC3=NC(=O)O[N-]3)=C2O1	REAL300025558180	0	38	-1.0	-40.83	323.12	2.95	-37.88
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL300025558181	0	36	-1.0	-43.26	325.33	2.79	-40.47
CN1C=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025558182	0	32	-1.0	-45.77	287.25	1.73	-44.04
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558183	0	44	-1.0	-41.19	354.18	0.47	-40.72
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558184	0	50	-1.0	-38.45	383.98	2.66	-35.79
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC=CCC1	REAL300025558185	0	48	-1.0	-35.37	374.61	2.17	-33.20
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCSCC1	REAL300025558186	0	45	-1.0	-39.05	360.66	1.59	-37.46
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558187	0	45	-1.0	-37.22	365.13	2.63	-34.59
CC(C)(C)OC(=O)N1C2=CC=CC=C2CC1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558188	0	48	-1.0	-43.08	384.86	4.90	-38.18
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)NCC3=NC(=O)O[N-]3)CCCC[C@@H]12	REAL300025558189	0	54	-1.0	-42.54	392.06	4.21	-38.33
CC(C)(C)OC(=O)NC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)OC2	REAL300025558190	0	43	-1.0	-40.67	354.13	-1.98	-42.65
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558191	0	44	-1.0	-40.94	360.26	-0.15	-41.09
CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558191	1	44	-1.0	-37.78	356.76	-0.43	-38.21
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025558192	0	41	-1.0	-38.76	346.15	1.41	-37.35
CC(C)(C)OC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558193	0	50	-1.0	-44.66	415.36	3.42	-41.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CCNC(=O)OC(C)(C)C)=N1	REAL300025558194	0	46	-1.0	-41.15	395.24	0.07	-41.08
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558195	0	43	-1.0	-38.59	352.74	0.05	-38.54
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL300025558196	0	48	-1.0	-38.80	377.97	2.75	-36.05
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558197	0	37	-1.0	-37.22	313.30	-1.19	-38.41
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL300025558198	0	55	-1.0	-39.00	408.56	2.27	-36.73
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)NCC3=NC(=O)O[N-]3)CCC[C@H]12	REAL300025558199	0	51	-1.0	-44.11	387.62	3.44	-40.67
CC(C)(C)OC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)(C(F)(F)F)C1	REAL300025558200	0	47	-1.0	-44.18	376.69	3.10	-41.08
CC(C)C1=CC=C2C(=C1)CC[C@H]1[C@](C)(C(=O)NCC3=NC(=O)O[N-]3)CCC[C@]21C	REAL300025558201	0	59	-1.0	-37.36	420.63	7.92	-29.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300025558202	0	24	-1.0	-32.73	259.86	2.11	-30.62
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558203	0	38	-1.0	-47.16	329.71	2.19	-44.97
CC(C)(C)OC(=O)N1CCC(COCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025558204	0	51	-1.0	-42.24	406.29	3.11	-39.13
CC1=CC=C(CC(CNC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025558205	0	53	-1.0	-41.64	424.36	3.57	-38.07
CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558206	0	46	-1.0	-45.51	387.03	-3.13	-48.64
CC(C)(C)OC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025558207	0	48	-1.0	-44.43	401.11	3.44	-40.99
CC(C)(C)OC(=O)N1C[C@@H](CC(F)(F)F)[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558208	0	47	-1.0	-39.89	392.20	2.59	-37.30
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025558209	0	38	-1.0	-43.80	329.60	2.20	-41.60
O=C(CC1CC2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025558210	0	35	-1.0	-44.03	299.22	2.03	-42.00
CC1(C)C(=O)NC2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC21	REAL300025558211	0	41	-1.0	-38.46	323.13	-0.48	-38.94
COC1(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)CCOCC1	REAL300025558212	0	41	-1.0	-37.13	335.64	-0.24	-37.37
CC(C)(C)OC(=O)NCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025558213	0	43	-1.0	-44.90	369.77	-0.30	-45.20
CN(CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025558214	0	42	-1.0	-38.53	349.33	5.23	-33.30
CN1C=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2C1=O	REAL300025558215	0	32	-1.0	-43.76	287.27	1.75	-42.01
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558216	0	32	-1.0	-44.57	304.19	1.83	-42.74
COC1=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C(OC)C=C1C	REAL300025558217	0	42	-1.0	-40.29	351.58	2.47	-37.82
CC(C)(C)OC(=O)N1CCCC2(CC(=O)NCC3=NC(=O)O[N-]3)CCCCC12	REAL300025558218	0	57	-1.0	-37.32	406.16	4.75	-32.57
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025558219	0	44	-1.0	-38.49	353.05	1.00	-37.49
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL300025558220	0	46	-1.0	-42.22	385.23	1.32	-40.90
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025558221	0	46	-1.0	-43.41	363.83	0.29	-43.12
O=C(NCC1=NC(=O)O[N-]1)C12CCC(C1)S(=O)(=O)CC2	REAL300025558222	0	34	-1.0	-41.21	280.95	-1.84	-43.05
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)C(C)(C)C1	REAL300025558223	0	53	-1.0	-37.89	397.46	3.80	-34.09
CC(C)(C)OC(=O)NCC12C3C4C1C1C2C3C41C(=O)NCC1=NC(=O)O[N-]1	REAL300025558224	0	48	-1.0	-39.32	389.74	2.64	-36.68
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558225	0	44	-1.0	-36.03	369.00	0.66	-35.37
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC(Cl)=CC=C21	REAL300025558226	0	31	-1.0	-41.80	292.50	3.23	-38.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCNS2(=O)=O)C=C1	REAL300025558227	0	35	-1.0	-46.17	313.55	-2.85	-49.02
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558228	0	33	-1.0	-41.22	303.58	-3.25	-44.47
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025558229	0	46	-1.0	-37.71	369.95	-0.46	-38.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C(Cl)=CC=C2S1	REAL300025558230	0	27	-1.0	-36.38	294.90	3.46	-32.92
CC(C)(C)OC(=O)N1C2=CC=CC=C2C[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025558231	0	48	-1.0	-39.55	386.25	4.53	-35.02
CC(C)(C)OC(=O)NC1=C2C=CN(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025558232	0	48	-1.0	-42.63	400.79	3.43	-39.20
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1CNC(=O)OC(C)(C)C	REAL300025558233	0	48	-1.0	-39.22	397.40	0.82	-38.40
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)OC(C)(C)C1	REAL300025558234	0	48	-1.0	-37.88	379.96	2.32	-35.56
O=C(CC1=CC=CC(OCC2CC2)=C1)NCC1=NC(=O)O[N-]1	REAL300025558235	0	38	-1.0	-39.17	328.78	3.54	-35.63
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CC(OCC3=CC=CC=C3)C2)C1	REAL300025558236	0	45	-1.0	-37.69	376.52	4.86	-32.83
CCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1Br	REAL300025558237	0	27	-1.0	-38.15	283.80	0.64	-37.51
O=C(NCC1=NC(=O)O[N-]1)C1CN(C(=O)OCC2=CC=CC=C2)CC12COC2	REAL300025558238	0	47	-1.0	-42.04	395.78	1.97	-40.07
CN1N=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025558239	0	23	-1.0	-37.74	241.03	-2.34	-40.08
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1	REAL300025558240	0	34	-1.0	-39.30	323.51	3.75	-35.55
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C(F)F)CC1	REAL300025558241	0	47	-1.0	-41.21	370.44	2.68	-38.53
CC(C)(C)OC(=O)N1CC2=NC=CN2CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558242	0	48	-1.0	-41.48	385.76	2.85	-38.63
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)NCC1=NC(=O)O[N-]1)=CO2	REAL300025558243	0	42	-1.0	-40.95	355.92	1.46	-39.49
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)NCC3=NC(=O)O[N-]3)C21	REAL300025558244	0	48	-1.0	-47.54	369.57	2.05	-45.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300025558245	0	32	-1.0	-42.46	292.19	3.88	-38.58
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NCC1=NC(=O)O[N-]1	REAL300025558246	0	37	-1.0	-36.86	325.00	4.57	-32.29
COC1=CC2=CC=CN=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558247	0	33	-1.0	-46.02	289.61	1.16	-44.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300025558248	0	26	-1.0	-34.53	269.51	0.90	-33.63
CCN1N=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025558249	0	26	-1.0	-37.47	262.84	-1.51	-38.98
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL300025558250	0	35	-1.0	-36.91	308.00	2.30	-34.61
CN1C(=O)NC2(CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C1=O	REAL300025558251	0	39	-1.0	-42.91	318.29	-1.28	-44.19
CC1=CC(Br)=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C21	REAL300025558252	0	30	-1.0	-35.67	290.84	0.97	-34.70
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025558253	0	39	-1.0	-36.17	346.98	4.37	-31.80
CC1=CC=CC=C1C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025558254	0	33	-1.0	-39.00	299.94	2.70	-36.30
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558255	0	46	-1.0	-41.77	369.11	-0.65	-42.42
CC(C)(C)OC(=O)N(CCC(=O)NCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025558256	0	51	-1.0	-39.50	426.44	5.10	-34.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300025558257	0	36	-1.0	-39.80	318.30	3.71	-36.09
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300025558258	0	27	-1.0	-35.84	272.95	1.97	-33.87
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL300025558259	0	36	-1.0	-42.99	297.16	-3.61	-46.60
O=C(NCC1=NC(=O)O[N-]1)C1=C(I)C=CS1	REAL300025558260	0	21	-1.0	-35.79	236.65	1.14	-34.65
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025558261	0	33	-1.0	-37.21	305.98	2.49	-34.72
COC(=O)C1=NNC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025558262	0	33	-1.0	-42.43	302.82	0.39	-42.04
CC(C)(C)C1CCNC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN21	REAL300025558263	0	42	-1.0	-40.42	329.01	1.37	-39.05
CNC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=NC=CN=C21	REAL300025558264	0	30	-1.0	-42.01	282.70	-2.19	-44.20
CC1=NN=C2SC(C(=O)NCC3=NC(=O)O[N-]3)=C(N)C2=C1C	REAL300025558265	0	33	-1.0	-43.38	292.60	-1.00	-44.38
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(C)C=C2)=NO1	REAL300025558266	0	36	-1.0	-39.09	322.31	3.67	-35.42
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558267	0	40	-1.0	-37.99	341.81	-2.47	-40.46
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558268	0	43	-1.0	-39.13	358.95	-2.22	-41.35
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C3OCOC3=C2)=C1	REAL300025558269	0	33	-1.0	-41.13	305.80	0.74	-40.39
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558270	0	43	-1.0	-42.51	364.88	-1.99	-44.50
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558271	0	43	-1.0	-43.57	360.49	-1.47	-45.04
CC1=NN(CC(F)(F)F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558272	0	30	-1.0	-36.19	283.26	0.68	-35.51
[N-]=[N+]=NCCCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025558273	0	43	-1.0	-37.05	366.36	0.85	-36.20
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Cl)N=C1Cl	REAL300025558274	0	26	-1.0	-32.77	263.43	0.74	-32.03
CC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(N2C=NN=N2)S1	REAL300025558275	0	32	-1.0	-49.15	303.37	1.53	-47.62
CC12CC3(C)CC(F)(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C2)C3	REAL300025558276	0	44	-1.0	-36.52	332.41	4.00	-32.52
COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025558277	0	29	-1.0	-35.58	275.19	-3.06	-38.64
O=C(NCC1=NC(=O)O[N-]1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300025558278	0	29	-1.0	-38.40	289.92	0.45	-37.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCOCC2)C=C1	REAL300025558279	0	40	-1.0	-37.94	329.97	0.14	-37.80
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025558280	0	46	0.0	-56.67	361.03	5.40	-51.27
CC1CN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025558281	0	43	-1.0	-37.68	350.26	0.69	-36.99
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025558281	1	44	0.0	-64.46	346.83	3.12	-61.34
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025558281	1	44	0.0	-64.59	346.89	3.12	-61.47
COC1=CC([C@@H](C)CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025558282	0	40	-1.0	-37.07	330.16	3.00	-34.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=C(Br)C=C2)=CC=N1	REAL300025558283	0	34	-1.0	-38.52	328.56	2.81	-35.71
O=C(C=CC1=CC=C2CCOCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025558284	0	36	-1.0	-38.33	309.39	2.31	-36.02
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558285	0	40	-1.0	-37.69	332.81	2.65	-35.04
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025558286	0	40	-1.0	-38.73	336.51	3.34	-35.39
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300025558287	0	38	-1.0	-40.78	334.12	4.30	-36.48
CN(C)C(=O)SC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC2=CC=CC=C21	REAL300025558288	0	41	-1.0	-45.89	359.59	3.87	-42.02
CC(=O)NC(C(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025558289	0	48	-1.0	-52.64	393.28	3.36	-49.28
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025558290	0	47	-1.0	-39.30	367.05	2.18	-37.12
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL300025558291	0	52	-1.0	-36.17	389.41	1.52	-34.65
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1	REAL300025558292	0	33	-1.0	-38.18	320.26	0.09	-38.09
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)OCC1(C)C	REAL300025558293	0	48	-1.0	-37.65	375.98	1.88	-35.77
CC(C)(C)OC(=O)C1CC12CCC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025558294	0	46	-1.0	-37.33	370.89	4.70	-32.63
CC(C)(C)OC(=O)NC1CC2(C1)CC1(CC(C(=O)NCC3=NC(=O)O[N-]3)C1)C2	REAL300025558295	0	55	-1.0	-40.17	436.20	3.50	-36.67
O=C(CCC(=O)C1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025558296	0	29	-1.0	-36.79	299.88	2.18	-34.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CN=C1N1CCOCC1	REAL300025558297	0	39	-1.0	-36.24	343.24	1.18	-35.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC3=NSN=C3C=C2)C=C1	REAL300025558298	0	39	-1.0	-41.16	356.55	2.66	-38.50
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CCOCC1	REAL300025558299	0	35	-1.0	-35.48	294.10	1.44	-34.04
CN1C=C(Br)C(OCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025558300	0	28	-1.0	-42.82	282.12	-1.32	-44.14
CC(C)(C)OC(=O)NCCC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025558301	0	47	-1.0	-42.49	376.39	0.78	-41.71
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC=CC1	REAL300025558302	0	45	-1.0	-38.90	364.43	1.03	-37.87
CC(C)(C)OC(=O)NC(CC1=NC=CC(=O)N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558303	0	46	-1.0	-45.99	388.67	-0.57	-46.56
CC(C)(C)OC(=O)NC(CCC1=CNN=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558304	0	47	-1.0	-39.55	384.60	-0.46	-40.01
CC(C)(C)OC(=O)NC[C@]1(C(=O)NCC2=NC(=O)O[N-]2)C[C@@H]1C(F)(F)F	REAL300025558305	0	44	-1.0	-38.87	375.02	1.25	-37.62
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025558306	0	48	-1.0	-44.30	354.45	4.43	-39.87
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C12CC2	REAL300025558307	0	45	-1.0	-39.73	359.46	2.21	-37.52
CC(C)(C)OC(=O)N1CCC2=NC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025558308	0	47	-1.0	-41.35	376.93	2.40	-38.95
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558309	0	44	-1.0	-39.29	364.62	0.47	-38.82
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558310	0	46	-1.0	-37.91	369.18	-1.49	-39.40
COC1=CC=C(C(CC(=O)NCC2=NC(=O)O[N-]2)NC(=O)OC(C)(C)C)C=N1	REAL300025558311	0	50	-1.0	-40.28	407.75	-0.74	-41.02
CC(C)(C)OC(=O)NC(CC1=CC=CC(C#N)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558312	0	48	-1.0	-43.60	403.39	3.46	-40.14
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558313	0	50	-1.0	-37.95	388.85	2.78	-35.17
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300025558314	0	33	-1.0	-39.38	300.78	3.41	-35.97
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CN=C2C=C1	REAL300025558315	0	33	-1.0	-43.22	294.25	0.53	-42.69
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558316	0	40	-1.0	-36.68	348.07	4.18	-32.50
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558317	0	44	-1.0	-38.59	365.49	0.53	-38.06
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)OCC12CCC2	REAL300025558318	0	49	-1.0	-37.53	381.52	2.15	-35.38
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCC3=NC(=O)O[N-]3)C[C@H]12	REAL300025558319	0	42	-1.0	-39.82	349.96	0.52	-39.30
CC(C)(C)OC(=O)NC(CC1=CC(=O)NC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558320	0	47	-1.0	-41.79	379.51	-1.18	-42.97
CC(C)(C)OC(=O)NCC1=C(F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558321	0	44	-1.0	-40.61	367.93	1.88	-38.73
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C(F)(F)F)S1	REAL300025558322	0	33	-1.0	-34.88	323.31	2.81	-32.07
CCCN(CCC)S(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558323	0	47	-1.0	-51.86	391.76	3.97	-47.89
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=CN2C(Br)=N1	REAL300025558324	0	27	-1.0	-46.25	270.94	2.12	-44.13
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025558325	0	44	-1.0	-40.70	374.69	1.23	-39.47
CC(C)(C)OC(=O)N1CC2(C[C@H]1C(=O)NCC1=NC(=O)O[N-]1)OCCO2	REAL300025558326	0	47	-1.0	-44.34	378.55	0.66	-43.68
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025558327	0	48	-1.0	-43.54	372.94	2.34	-41.20
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2=NC(=O)O[N-]2)C[C@H]1C1=CC=CC=C1	REAL300025558328	0	48	-1.0	-42.63	394.80	2.31	-40.32
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300025558329	0	34	-1.0	-36.88	316.81	4.01	-32.87
CS(=O)(=O)C1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025558330	0	43	-1.0	-52.64	361.29	1.83	-50.81
O=C(CC1=CC=C(Br)C(Cl)=C1F)NCC1=NC(=O)O[N-]1	REAL300025558331	0	27	-1.0	-38.88	286.75	2.84	-36.04
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300025558332	0	27	-1.0	-46.27	281.14	0.69	-45.58
CC1=CC=C(F)C=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558334	0	30	-1.0	-35.76	275.67	2.28	-33.48
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300025558335	0	29	-1.0	-46.28	284.82	1.59	-44.69
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300025558336	0	26	-2.0	-103.96	265.02	0.07	-103.89
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300025558336	1	26	-2.0	-103.96	265.02	0.07	-103.89
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300025558337	0	26	-2.0	-108.73	264.91	0.07	-108.66
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300025558337	1	26	-2.0	-108.73	264.91	0.07	-108.66
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NCC1=NC(=O)O[N-]1	REAL300025558338	0	35	-1.0	-44.92	305.30	2.11	-42.81
CN1C2=C(CCCC1=O)OC=C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025558339	0	35	-1.0	-40.47	295.16	0.61	-39.86
CC(C1=CC=C(F)C=C1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025558340	0	41	-1.0	-40.85	347.77	3.54	-37.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)N=C2S1	REAL300025558341	0	26	-1.0	-40.06	271.87	0.99	-39.07
COC1=C2NC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025558342	0	35	-1.0	-41.84	307.18	1.07	-40.77
O=C(CC1=CNC2=C(OCC3=CC=CC=C3)C=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025558343	0	45	-1.0	-42.44	388.95	5.06	-37.38
O=C(CC1=CNC2=CC=CC(OCC3=CC=CC=C3)=C12)NCC1=NC(=O)O[N-]1	REAL300025558344	0	45	-1.0	-43.87	387.56	5.09	-38.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300025558345	0	28	-1.0	-34.03	277.82	1.54	-32.49
COC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025558346	0	36	-1.0	-39.90	317.26	2.85	-37.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(COCC2)N=C1Cl	REAL300025558347	0	31	-1.0	-36.49	282.76	-0.26	-36.75
CC1=C(Br)C(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL300025558348	0	30	-1.0	-57.75	280.18	1.49	-56.26
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1	REAL300025558349	0	34	-1.0	-39.05	318.88	3.76	-35.29
CS(C)(=O)=NC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558350	0	33	-1.0	-56.81	299.20	-2.33	-59.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC(F)=C2N1	REAL300025558351	0	28	-1.0	-36.03	282.30	1.64	-34.39
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300025558352	0	41	-1.0	-37.49	346.62	5.09	-32.40
COC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025558353	0	33	-1.0	-42.29	305.11	2.42	-39.87
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025558354	0	41	-1.0	-40.82	347.78	3.54	-37.28
COC(=O)C1=C2CCCCC2=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025558355	0	37	-1.0	-36.56	325.01	3.22	-33.34
O=C(NCC1=NC(=O)O[N-]1)C1CC(CC2=CC=CC=C2)=NO1	REAL300025558356	0	35	-1.0	-41.81	311.70	3.24	-38.57
CC(C)CC1=CC=C2C(N)=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=N1	REAL300025558357	0	40	-1.0	-43.58	343.21	2.03	-41.55
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)C2CC3CC(C2)CC1C3	REAL300025558358	0	55	-1.0	-42.18	396.37	3.23	-38.95
CC(C)(C)OC(=O)N1CC(C(C)(C)C)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558359	0	56	-1.0	-38.72	414.43	4.05	-34.67
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025558360	0	41	-1.0	-44.75	344.87	3.53	-41.22
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(=O)COC2=CC(Br)=C1	REAL300025558361	0	30	-1.0	-37.90	288.22	-0.70	-38.60
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C[C@@H]1C[C@H]1C(=O)NC1=CC=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558376	0	38	-1.0	-36.61	331.41	2.75	-33.86
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CN1N=NC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025558379	0	33	-1.0	-40.94	290.70	0.82	-40.12
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CC(C)(C)OC(=O)N1CC=CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558383	0	42	-1.0	-39.04	341.60	1.87	-37.17
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NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025558387	0	33	-1.0	-38.30	297.70	1.37	-36.93
CCOC(=O)C12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025558388	0	43	-1.0	-36.58	342.06	3.56	-33.02
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NC1=NC(C2=COC=C2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558391	0	31	-1.0	-38.02	283.86	-0.76	-38.78
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC(F)(F)C1	REAL300025558392	0	41	-1.0	-39.76	346.64	0.46	-39.30
O=C(CC1=CC(Cl)=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025558393	0	27	-1.0	-35.97	283.78	2.84	-33.13
CN1N=C(C(F)(F)F)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025558394	0	30	-1.0	-39.68	288.11	0.24	-39.44
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COC1=C2C(C(=O)NCC3=NC(=O)O[N-]3)=CSC2=CC=C1	REAL300025558396	0	31	-1.0	-40.85	281.16	3.10	-37.75
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CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558398	0	47	-1.0	-51.42	395.58	-1.22	-52.64
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C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558400	0	45	-1.0	-42.58	356.28	0.73	-41.85
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CO1)C2	REAL300025558401	0	49	-1.0	-38.40	392.78	-0.38	-38.78
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558402	0	45	-1.0	-41.14	358.04	2.73	-38.41
COC1CCN(C(=O)OC(C)(C)C)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558403	0	48	-1.0	-38.83	377.95	1.06	-37.77
CCO[C@@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025558404	0	48	-1.0	-44.82	390.21	1.35	-43.47
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC2CC2C1	REAL300025558405	0	48	-1.0	-35.40	373.22	2.37	-33.03
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025558406	0	44	-1.0	-45.26	374.19	-0.55	-45.81
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)CN1C(=O)OC(C)(C)C	REAL300025558407	0	44	-1.0	-37.74	353.92	1.79	-35.95
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025558408	0	52	-1.0	-40.95	406.55	-0.88	-41.83
CC(C)(C)OC(=O)NCCN1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025558408	1	52	-1.0	-40.95	406.55	-0.88	-41.83
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558409	0	42	-1.0	-36.99	350.06	0.61	-36.38
CC(C)(C)C1=CC=C2C(N)=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=N1	REAL300025558410	0	40	-1.0	-43.83	343.26	1.33	-42.50
COC1=CC=C(Cl)C(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558411	0	28	-1.0	-42.50	276.50	0.79	-41.71
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(S(N)(=O)=O)S1	REAL300025558412	0	29	-1.0	-46.69	282.94	-2.95	-49.64
CC(C)(C)C1CCC(C(O)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025558413	0	46	-1.0	-35.65	333.12	2.15	-33.50
COC1=CC(Br)=CC=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558414	0	30	-1.0	-37.86	290.26	2.07	-35.79
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1F	REAL300025558415	0	33	-1.0	-43.55	299.41	1.39	-42.16
CN(C)C1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C2O1	REAL300025558416	0	34	-1.0	-46.02	300.45	-0.19	-46.21
O=C(NCC1=NC(=O)O[N-]1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL300025558417	0	37	-1.0	-38.18	322.96	2.72	-35.46
CS(C)(=O)=NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025558418	0	31	-1.0	-56.72	296.48	-1.53	-58.25
O=C(CCC(=O)C1=CC(Br)=CS1)NCC1=NC(=O)O[N-]1	REAL300025558419	0	29	-1.0	-38.00	299.71	2.07	-35.93
O=C(NCC1=NC(=O)O[N-]1)C1=CSN=C1C1=CC=CC=C1	REAL300025558420	0	30	-1.0	-36.49	281.19	2.25	-34.24
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300025558421	0	24	-1.0	-33.42	256.13	1.18	-32.24
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300025558422	0	38	-1.0	-49.84	345.39	2.38	-47.46
C=CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558423	0	39	-1.0	-48.42	336.68	2.26	-46.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL300025558424	0	37	-1.0	-48.35	323.61	3.75	-44.60
O=C(CCC1=CC=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558425	0	33	-1.0	-44.84	319.82	3.94	-40.90
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=NC=CC=N2)C1	REAL300025558426	0	40	-1.0	-47.86	331.52	2.32	-45.54
O=C(CC1=CN(C2=CC=CC=C2)N=C1)NCCC1=NC(=O)O[N-]1	REAL300025558427	0	37	-1.0	-52.84	326.76	3.42	-49.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C(=O)CNC2=O)=C1	REAL300025558428	0	39	-1.0	-56.60	346.11	0.15	-56.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2N1	REAL300025558429	0	31	-1.0	-43.89	298.33	2.08	-41.81
CC1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025558430	0	40	-1.0	-46.32	336.20	3.06	-43.26
CC1=CC(C)=CC(OCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558431	0	40	-1.0	-46.26	340.61	3.18	-43.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2N1	REAL300025558432	0	31	-1.0	-44.82	298.32	2.11	-42.71
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025558433	0	37	-1.0	-51.98	337.89	0.82	-51.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1	REAL300025558434	0	29	-1.0	-43.86	277.99	0.78	-43.08
O=C(CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1)N1CCOCC1	REAL300025558435	0	48	-1.0	-59.54	373.10	2.25	-57.29
CC1=NNC(C)=C1S(=O)(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025558436	0	48	-1.0	-50.65	394.58	-0.89	-51.54
CC1=CC(C)=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN21	REAL300025558437	0	35	-1.0	-58.23	310.65	1.64	-56.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2CCCO2)=C1	REAL300025558438	0	42	-1.0	-52.95	351.72	2.23	-50.72
O=C(COC1=CC=C(Br)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558439	0	31	-1.0	-51.01	314.17	3.26	-47.75
CC1=CC=C(OC2=CC=C(OCC(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025558440	0	45	-1.0	-50.64	386.96	5.62	-45.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=N1	REAL300025558441	0	29	-1.0	-42.17	279.40	0.80	-41.37
CC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1F	REAL300025558442	0	41	-1.0	-50.12	349.32	3.18	-46.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300025558443	0	39	-1.0	-52.86	352.29	-0.63	-53.49
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=CC=C2)C1	REAL300025558444	0	45	-1.0	-51.98	381.49	1.37	-50.61
O=C(CCNC(=O)C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025558445	0	34	-1.0	-54.79	316.55	-0.33	-55.12
O=C(CCCNC(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025558446	0	40	-1.0	-50.25	345.91	1.47	-48.78
COC1=CC=C(C(C)=O)C=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558447	0	39	-1.0	-53.26	338.78	2.07	-51.19
COC1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025558448	0	41	-1.0	-48.02	348.38	2.28	-45.74
COC1=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025558449	0	37	-1.0	-47.37	318.81	3.10	-44.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1F	REAL300025558450	0	27	-1.0	-46.96	269.15	2.24	-44.72
CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558451	0	39	-1.0	-53.39	351.51	-1.30	-54.69
N#CC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558452	0	36	-1.0	-53.50	342.84	-1.69	-55.19
CC1=NOC(C)=C1CSCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558453	0	36	-1.0	-52.11	329.49	2.36	-49.75
CSCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025558454	0	37	-1.0	-45.51	337.03	3.84	-41.67
O=C(CCCNC1=NS(=O)(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025558455	0	42	-1.0	-58.89	375.62	-0.66	-59.55
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OC	REAL300025558456	0	35	-1.0	-44.24	321.91	1.40	-42.84
O=C(CSCC1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558457	0	34	-1.0	-49.39	318.77	3.66	-45.73
CC1=CC=CC(CSCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558458	0	37	-1.0	-49.04	333.76	4.26	-44.78
COC1=CC=C(N2C(C)=NN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558459	0	44	-1.0	-49.50	396.76	4.47	-45.03
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025558460	0	48	-1.0	-51.32	402.93	2.08	-49.24
CC1=NN=C(SCC(=O)NCCC2=NC(=O)O[N-]2)N1C1=CC(C)=CC=C1C	REAL300025558461	0	46	-1.0	-49.25	407.89	6.65	-42.60
CCCCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558462	0	48	-1.0	-48.96	401.31	4.45	-44.51
CCCOC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025558463	0	44	-1.0	-43.81	387.12	4.07	-39.74
CC(C1=CC=CC=C1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025558464	0	44	-1.0	-48.62	363.32	3.99	-44.63
O=C(CC1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558465	0	40	-1.0	-47.60	330.63	4.71	-42.89
CN(CCCC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300025558466	0	44	-1.0	-55.94	392.18	1.28	-54.66
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCCC	REAL300025558467	0	47	-1.0	-47.87	388.63	4.18	-43.69
O=C(C=CC1=CC=C(C2=CC=CC=C2F)O1)NCCC1=NC(=O)O[N-]1	REAL300025558468	0	38	-1.0	-49.30	348.39	4.80	-44.50
COCCNS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558469	0	42	-1.0	-55.54	374.29	-2.35	-57.89
CC1=CC=C(N2C=CN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025558470	0	44	-1.0	-48.31	387.31	5.81	-42.50
COC1=CC=CC(N2C=CN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558471	0	42	-1.0	-48.68	377.77	3.89	-44.79
CCCCOC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558472	0	47	-1.0	-45.39	396.53	1.86	-43.53
O=C(CSCC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558473	0	34	-1.0	-48.79	333.65	4.21	-44.58
O=C(CCCC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025558474	0	38	-1.0	-52.84	342.49	3.23	-49.61
CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558475	0	37	-1.0	-44.39	338.55	1.40	-42.99
O=C(CCCNC(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558476	0	40	-1.0	-48.90	362.63	1.99	-46.91
O=C(CN1C(=O)C2CCCCC2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025558477	0	40	-1.0	-51.50	335.93	1.48	-50.02
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC=C1	REAL300025558478	0	44	-1.0	-47.63	368.08	6.06	-41.57
CCC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558479	0	46	-1.0	-42.44	385.81	3.44	-39.00
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558480	0	44	-1.0	-48.02	366.77	3.24	-44.78
CC1=CC(OCCCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025558481	0	40	-1.0	-49.03	354.75	3.72	-45.31
O=C(CSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1)N1CCCC1	REAL300025558482	0	45	-1.0	-60.60	384.00	4.23	-56.37
O=C(CSC1=CC=C([N+](=O)[O-])C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558483	0	33	-1.0	-49.34	314.65	3.35	-45.99
CCOC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558484	0	42	-1.0	-45.73	360.70	3.09	-42.64
O=C(NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025558485	0	47	-1.0	-46.21	394.14	4.34	-41.87
O=C(COC1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558486	0	37	-1.0	-52.27	322.86	4.38	-47.89
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)C1=CC=CS1	REAL300025558487	0	38	-1.0	-57.30	333.58	1.69	-55.61
CC1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])CC1	REAL300025558488	0	47	-1.0	-52.14	386.95	5.37	-46.77
CC1=CC=C(SCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558489	0	37	-1.0	-45.83	329.53	4.16	-41.67
CC1=CC(=O)OC2=CC(OCC(=O)NCCC3=NC(=O)O[N-]3)=CC=C12	REAL300025558490	0	39	-1.0	-61.44	342.67	4.18	-57.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300025558491	0	48	-1.0	-53.47	394.71	2.43	-51.04
NC(=O)CC[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558492	0	48	-1.0	-49.41	410.06	-1.45	-50.86
CC1=CC=C(C)C(N2N=NN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558493	0	42	-1.0	-47.38	377.98	3.67	-43.71
O=C(CSC1=NN=C(C2=CC=C(Cl)C=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025558494	0	36	-1.0	-45.86	357.81	-0.72	-46.58
CC1=CC=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025558495	0	44	-1.0	-52.47	382.49	-0.23	-52.70
CC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025558496	0	41	-1.0	-51.40	360.46	-0.88	-52.28
CC1=CC=C(Cl)C(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558497	0	34	-1.0	-52.00	314.29	3.31	-48.69
O=C(COC1=CC=C2CCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558498	0	38	-1.0	-50.61	322.40	4.01	-46.60
O=C(CC1OC(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025558499	0	34	-1.0	-56.86	305.24	3.08	-53.78
CC1=CC(Cl)=CC=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558500	0	37	-1.0	-48.23	331.09	3.91	-44.32
CC1=C(C2=CC=CC=C2)OC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C2C1=O	REAL300025558501	0	45	-1.0	-53.08	382.80	6.95	-46.13
O=C(CCC(=O)C1=CC=C(Cl)S1)NCCC1=NC(=O)O[N-]1	REAL300025558502	0	32	-1.0	-44.15	317.44	2.56	-41.59
COC1=CC=C(Br)C=C1C(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558503	0	39	-1.0	-47.43	358.16	4.02	-43.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SCC(=O)NC2=C1	REAL300025558504	0	33	-1.0	-48.50	303.25	0.55	-47.95
CCCCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025558505	0	43	-1.0	-49.53	373.98	3.36	-46.17
CCCOC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558506	0	41	-1.0	-50.25	349.70	3.12	-47.13
CC1(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)COC1	REAL300025562826	0	37	-1.0	-47.37	319.41	-1.42	-48.79
COC1=CC2=C(C=C1C(=O)NCCC1=NC(=O)O[N-]1)OCO2	REAL300025562827	0	34	-1.0	-48.69	296.62	0.77	-47.92
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1N1C=NN=N1	REAL300025562828	0	36	-1.0	-51.70	318.63	1.25	-50.45
CN1CCC2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025562829	0	44	-1.0	-46.72	364.01	1.38	-45.34
CC(C)(C)C(Br)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562830	0	32	-1.0	-44.30	280.33	1.40	-42.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C([O-])=C1F	REAL300025562831	0	27	-2.0	-92.90	267.59	-0.34	-93.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(O)C(C2=CC=CC=C2)=C1	REAL300025562832	0	38	-1.0	-48.30	332.90	2.47	-45.83
O=C(CC(NC(=O)C1=CC=C(O)C=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025562833	0	48	-1.0	-54.81	413.46	2.25	-52.56
COC1=CC(C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)=CC=C1O	REAL300025562834	0	46	-1.0	-46.40	391.19	3.31	-43.09
CCN1CCC2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025562835	0	47	-1.0	-46.44	382.09	2.18	-44.26
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NC3=C(O)C=CC=C3C=C2)CC1	REAL300025562836	0	48	-1.0	-53.54	392.34	1.46	-52.08
O=C(CNC(=O)CC1=CC=C(O)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562837	0	38	-1.0	-48.17	337.92	-2.14	-50.31
CC1=CC=C(C(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C(O)=C1	REAL300025562838	0	41	-1.0	-58.39	354.64	-0.13	-58.52
CN(C)C1=NC2=CC=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562839	0	40	-1.0	-47.81	333.73	3.58	-44.23
COC1=CC=CC(C2=NOC(SCC(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025562840	0	40	-1.0	-50.04	370.10	0.62	-49.42
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1CCCCC1	REAL300025562841	0	43	-1.0	-45.99	347.90	3.23	-42.76
COC1=CC=C(CC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025562842	0	44	-1.0	-47.88	363.48	2.70	-45.18
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)C2=CC=CC=C2)CC1	REAL300025562843	0	50	-1.0	-52.44	387.82	4.19	-48.25
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1	REAL300025562844	0	37	-1.0	-62.88	330.26	3.01	-59.87
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1C(C)C	REAL300025562845	0	44	-1.0	-45.67	355.73	2.54	-43.13
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025562846	0	37	-1.0	-51.34	337.10	4.07	-47.27
CN1C=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025562847	0	36	-1.0	-51.95	321.36	3.65	-48.30
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025562848	0	27	-1.0	-46.24	265.81	-0.27	-46.51
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N(C2=CC=CC=C2)N=C1	REAL300025562849	0	34	-1.0	-47.83	320.34	3.04	-44.79
COC1=CC(Br)=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562850	0	37	-1.0	-46.00	338.94	3.01	-42.99
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562851	0	49	0.0	-73.07	398.36	7.03	-66.04
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562851	1	49	0.0	-72.28	398.37	7.04	-65.24
CN(CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562851	1	48	-1.0	-48.87	396.35	4.70	-44.17
COC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025562852	0	47	-1.0	-49.17	400.92	3.13	-46.04
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025562853	0	47	-1.0	-52.16	375.82	2.30	-49.86
CN1C=C(C2=CC=C(F)C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025562854	0	37	-1.0	-54.90	327.90	2.92	-51.98
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=C1	REAL300025562855	0	31	-1.0	-55.75	289.82	2.19	-53.56
CC1=CC(Br)=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025562856	0	33	-1.0	-43.49	317.22	3.21	-40.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C(F)=C2)=N1	REAL300025562857	0	33	-1.0	-47.01	323.25	2.47	-44.54
CC(C)(C)OC(=O)NCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562858	0	46	-1.0	-51.87	377.43	0.56	-51.31
O=C(CC(O)C1=CC=C(OCC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562859	0	48	-1.0	-50.96	407.28	4.04	-46.92
O=C(NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025562860	0	45	-1.0	-48.69	386.44	4.17	-44.52
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC(C(F)(F)F)=C2)OC=N1	REAL300025562861	0	36	-1.0	-49.39	337.81	0.94	-48.45
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(SC2=CC=CC=C2)=C1	REAL300025562862	0	41	-1.0	-49.84	360.81	6.29	-43.55
O=C(COCCNC(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025562863	0	41	-1.0	-55.74	358.91	1.08	-54.66
CCOC1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025562864	0	50	-1.0	-49.74	400.99	4.19	-45.55
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(F)=C1	REAL300025562865	0	43	-1.0	-47.06	369.10	4.66	-42.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1	REAL300025562866	0	33	-1.0	-51.12	308.44	2.57	-48.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(F)C(F)=C1	REAL300025562867	0	39	-1.0	-54.02	354.05	5.04	-48.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)O1	REAL300025562868	0	35	-1.0	-43.53	347.35	4.36	-39.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1Cl	REAL300025562869	0	27	-1.0	-48.57	275.22	2.61	-45.96
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025562870	0	43	-1.0	-45.91	369.13	4.66	-41.25
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)N2N=CN=C2N1C	REAL300025562871	0	39	-1.0	-45.04	318.81	4.80	-40.24
CCCCOC1=CC(OCCC)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562872	0	50	-1.0	-50.18	408.21	5.65	-44.53
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Br)=CC=C1Br	REAL300025562873	0	26	-1.0	-43.53	278.27	0.94	-42.59
CC(O)(CN1C(=O)C(C)(C)C2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562874	0	48	-1.0	-46.20	393.55	1.22	-44.98
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025562875	0	46	-1.0	-47.18	383.75	5.27	-41.91
CC(C)(C)OC(=O)N1CCC(F)(F)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562876	0	47	-1.0	-49.55	381.16	2.53	-47.02
COC1=CC(Cl)=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562877	0	31	-1.0	-45.76	306.68	3.18	-42.58
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL300025562878	0	35	-1.0	-47.12	312.07	3.43	-43.69
COC1=CC=C2CCC(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025562879	0	38	-1.0	-46.73	314.85	2.81	-43.92
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562880	0	36	-1.0	-49.33	330.66	1.60	-47.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C(F)C=C1F	REAL300025562881	0	27	-1.0	-44.66	274.82	2.28	-42.38
COC(=O)C12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)C2	REAL300025562882	0	40	-1.0	-51.25	332.18	2.57	-48.68
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCCC(C)C)=C1	REAL300025562883	0	47	-1.0	-50.81	382.42	4.43	-46.38
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1Cl	REAL300025562884	0	43	-1.0	-47.14	366.40	4.96	-42.18
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C(CC)CC	REAL300025562885	0	45	-1.0	-46.32	366.91	3.54	-42.78
N#CCCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025562886	0	41	-1.0	-49.48	359.68	3.90	-45.58
CN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=C(Cl)C(Cl)=C1	REAL300025562887	0	41	-1.0	-47.60	376.97	3.87	-43.73
CC(C)(COC1=CC(Cl)=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562888	0	40	-1.0	-43.43	367.62	4.20	-39.23
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562889	0	32	-1.0	-43.96	313.77	3.89	-40.07
COC1=CC(OC2CC2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562890	0	39	-1.0	-50.67	331.05	3.07	-47.60
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1C	REAL300025562891	0	46	-1.0	-47.28	380.64	5.53	-41.75
CCCCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1CC	REAL300025562892	0	42	-1.0	-46.30	351.01	2.91	-43.39
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562893	0	32	-2.0	-78.16	296.01	-2.65	-80.81
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CCC(C)C	REAL300025562894	0	45	-1.0	-46.11	368.57	3.41	-42.70
CN1N=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562895	0	27	-1.0	-42.50	265.51	-0.24	-42.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(C(F)(F)F)C(F)=C1	REAL300025562896	0	30	-1.0	-42.72	290.96	2.59	-40.13
CC(C)CC1=CC=C([C@H](C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562897	0	45	-1.0	-46.28	365.06	5.46	-40.82
O=C(CC1=CC=C2NC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562898	0	34	-1.0	-52.07	303.71	-0.96	-53.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1F	REAL300025562899	0	27	-1.0	-51.32	268.45	2.21	-49.11
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1(O)CCCCC1	REAL300025562900	0	37	-1.0	-39.09	302.03	0.72	-38.37
COCCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562901	0	41	-1.0	-50.16	352.91	1.72	-48.44
CC(C)CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025562902	0	46	-1.0	-47.74	378.65	4.96	-42.78
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC(C)C)=C1	REAL300025562903	0	47	-1.0	-50.31	383.14	4.66	-45.65
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC2CCCC2)=C1	REAL300025562904	0	51	-1.0	-50.63	407.94	6.02	-44.61
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCC2=CC=CC=C2)=C1	REAL300025562905	0	51	-1.0	-51.69	425.12	7.12	-44.57
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCCCOC)=C1	REAL300025562906	0	51	-1.0	-52.63	420.38	3.94	-48.69
CC(=O)NCC1CCN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025562907	0	44	-1.0	-55.18	366.65	0.02	-55.16
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N(CCO)N=C1	REAL300025562908	0	41	-1.0	-47.99	350.26	0.05	-47.94
C[NH+](C)C(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025562909	0	42	0.0	-58.37	332.00	3.87	-54.50
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Cl)S1	REAL300025562910	0	26	-1.0	-39.80	272.48	1.04	-38.76
COC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL300025562911	0	37	-1.0	-46.70	305.41	2.03	-44.67
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300025562912	0	39	-1.0	-44.10	361.88	4.22	-39.88
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCCC)=C1	REAL300025562913	0	47	-1.0	-50.21	386.71	4.87	-45.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL300025562914	0	39	-1.0	-43.37	349.27	0.44	-42.93
CC1=C(Br)C=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562915	0	33	-1.0	-47.15	302.78	3.21	-43.94
CCC1=NN(C)C(CC)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562916	0	42	-1.0	-50.97	352.80	2.45	-48.52
CCOC1=C(Cl)C=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562917	0	37	-1.0	-50.10	335.64	3.09	-47.01
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Br)=C2)N=C1	REAL300025562918	0	33	-1.0	-43.74	323.57	1.77	-41.97
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1Cl	REAL300025562919	0	40	-1.0	-48.62	356.33	4.51	-44.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NNC=C2)S1	REAL300025562920	0	31	-1.0	-48.18	297.31	0.76	-47.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1C(F)(F)F	REAL300025562921	0	29	-1.0	-49.10	269.01	0.78	-48.32
C#CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025562922	0	49	-1.0	-47.22	385.35	3.66	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1C1CCCC1	REAL300025562923	0	46	0.0	-56.92	340.38	3.72	-53.20
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1C1CCCC1	REAL300025562923	1	46	0.0	-56.97	341.04	3.77	-53.20
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562924	0	34	-1.0	-48.46	310.21	3.24	-45.22
O=C(CCOCC(F)(F)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025562925	0	33	-1.0	-44.25	313.34	0.86	-43.39
COC1=CC=CC(C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025562926	0	43	-1.0	-51.64	369.38	4.10	-47.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CN=C2N=C1	REAL300025562927	0	31	-1.0	-46.37	300.86	1.58	-44.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=C1NC1=CC=C(F)C=C1C2=O	REAL300025562928	0	39	-1.0	-43.14	348.64	4.02	-39.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1	REAL300025562929	0	39	-1.0	-60.35	340.69	3.53	-56.82
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025562930	0	44	-1.0	-50.58	375.10	0.14	-50.44
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562931	0	48	-1.0	-46.71	387.11	2.98	-43.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC2=CC=CC=C2O1	REAL300025562932	0	37	-1.0	-58.96	331.07	3.17	-55.79
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300025562933	0	37	-1.0	-44.57	348.17	4.78	-39.79
O=C(NCCC1=NC(=O)O[N-]1)C1C2CCC(O2)C1C(F)(F)F	REAL300025562934	0	35	-1.0	-53.68	294.42	1.24	-52.44
CCC(=O)C1=CC=C(OCCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562935	0	48	-1.0	-50.12	403.70	4.69	-45.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL300025562936	0	30	-1.0	-49.10	287.71	0.65	-48.45
CC(OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025562937	0	44	-1.0	-46.81	371.34	5.45	-41.36
CC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025562938	0	37	-1.0	-48.27	310.89	1.28	-46.99
CC(=O)NC1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562939	0	37	-1.0	-49.71	315.86	1.09	-48.62
CC(C)(C)OC(=O)NCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562940	0	49	-1.0	-49.67	398.93	1.34	-48.33
CC1=CSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025562941	0	27	-1.0	-44.65	277.74	2.22	-42.43
CC(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025562942	0	36	-1.0	-46.43	317.11	3.88	-42.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCNC(=O)C2)=CC=N1	REAL300025562943	0	39	-1.0	-57.67	326.21	-3.45	-61.12
CCCN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025562944	0	40	-1.0	-45.52	337.72	4.70	-40.82
O=C(CC1CCC2(CC1)OCCO2)NCCC1=NC(=O)O[N-]1	REAL300025562945	0	42	-1.0	-47.52	333.25	1.36	-46.16
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300025562946	0	37	-1.0	-46.11	333.03	4.24	-41.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2OC(F)(F)F)O1	REAL300025562947	0	38	-1.0	-46.52	354.76	3.23	-43.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CSC=C1	REAL300025562948	0	31	-1.0	-50.56	289.78	0.57	-49.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NN2C(=O)C3CC=CCC3C2=O)=C1	REAL300025562949	0	47	-1.0	-52.62	398.77	3.62	-49.00
CC1=CC=C(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1C	REAL300025562950	0	40	-1.0	-45.85	343.19	2.78	-43.07
COC1C2CC3CC1CC(C(=O)NCCC1=NC(=O)O[N-]1)(C3)C2	REAL300025562951	0	45	-1.0	-48.22	338.46	2.60	-45.62
CN1C=C(C2=NN(C)C=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025562952	0	37	-1.0	-56.50	326.01	0.63	-55.87
CC1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025562953	0	40	-1.0	-48.08	346.39	4.57	-43.51
CCCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025562954	0	36	-1.0	-44.48	320.23	4.11	-40.37
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300025562955	0	37	-1.0	-45.79	339.34	4.35	-41.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL300025562956	0	33	-1.0	-44.23	317.33	1.75	-42.48
CN1C=C(C2=NNC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025562957	0	34	-1.0	-55.84	303.18	-0.68	-56.52
CC1=CC2=C(Br)C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2O1	REAL300025562958	0	33	-1.0	-50.71	313.22	3.90	-46.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1	REAL300025562959	0	40	-1.0	-51.39	350.93	1.95	-49.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=O)C2=CC=CC=C12	REAL300025562960	0	33	-1.0	-50.74	289.19	0.77	-49.97
COC1=CC=C(SCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562961	0	41	-1.0	-50.01	359.10	3.54	-46.47
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C1	REAL300025562962	0	38	-1.0	-54.87	321.60	-3.76	-58.63
COC1=CC=CC(CC(O)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562963	0	38	-1.0	-47.15	328.55	0.24	-46.91
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)NCCC1=NC(=O)O[N-]1	REAL300025562964	0	32	-1.0	-50.74	317.55	2.03	-48.71
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562965	0	41	-1.0	-59.18	338.42	1.58	-57.60
CC1C(C(=O)NCCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025562966	0	47	-1.0	-52.46	375.50	2.25	-50.21
O=C(CC1=CC=C(Br)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562967	0	30	-1.0	-47.41	304.06	3.29	-44.12
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562968	0	37	-1.0	-49.95	330.96	3.51	-46.44
O=C(CCCC1=CC=C(O)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562969	0	37	-1.0	-51.39	328.08	1.03	-50.36
CC1=CC=C(Br)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562970	0	29	-1.0	-43.50	278.02	1.00	-42.50
COC(=O)C1=CC(O)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562971	0	34	-1.0	-51.26	309.08	-0.66	-51.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1Cl	REAL300025562972	0	26	-1.0	-43.18	268.07	0.71	-42.47
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=NN1	REAL300025562973	0	33	-1.0	-45.36	294.95	0.16	-45.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NNN=C1C1=CC=CC=C1	REAL300025562973	1	33	-1.0	-43.93	294.29	0.12	-43.81
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1N1C=NN=C1	REAL300025562974	0	33	-1.0	-52.12	293.07	2.54	-49.58
CC(C)(C)OC(=O)NCCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025562975	0	46	-1.0	-50.38	400.49	-0.21	-50.59
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2F)CC1	REAL300025562976	0	37	-1.0	-50.29	317.72	4.99	-45.30
CCOC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025562977	0	57	-1.0	-51.12	444.53	1.59	-49.53
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1	REAL300025562978	0	51	-1.0	-49.52	409.23	4.71	-44.81
CC1=CC=C(C)C(N2C=NC3=CC(C(=O)NCCC4=NC(=O)O[N-]4)=CC=C32)=C1	REAL300025562979	0	46	-1.0	-51.58	389.36	7.63	-43.95
COC1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025562980	0	35	-1.0	-51.19	314.78	0.95	-50.24
CC1=CC=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025562981	0	40	-1.0	-44.90	324.14	4.16	-40.74
COC1=CC=C(OC)C(C2CC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562982	0	42	-1.0	-49.97	345.74	2.12	-47.85
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CN=C1Br	REAL300025562983	0	30	-1.0	-43.90	288.53	-0.38	-44.28
COCCOC1=CC(OC)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562984	0	42	-1.0	-53.79	355.48	1.56	-52.23
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCC2CC2)=C1	REAL300025562985	0	42	-1.0	-51.47	353.52	3.91	-47.56
CC1=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1CC1=CSC=C1	REAL300025562986	0	43	-1.0	-55.86	382.69	5.50	-50.36
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1F	REAL300025562987	0	36	-1.0	-51.11	317.76	3.60	-47.51
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)SC=N1	REAL300025562988	0	33	-1.0	-46.47	307.33	2.37	-44.10
CC(C)(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=C(Cl)C=C1	REAL300025562989	0	42	-1.0	-46.51	350.41	5.04	-41.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300025562990	0	30	-1.0	-48.27	290.18	3.09	-45.18
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025562991	0	33	-1.0	-51.46	302.58	2.27	-49.19
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562992	0	45	-1.0	-48.48	365.14	1.23	-47.25
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025562993	0	38	-1.0	-49.88	338.11	2.08	-47.80
CC1=CC2=C(C=C1C)C(C(=O)NCCC1=NC(=O)O[N-]1)CO2	REAL300025562994	0	38	-1.0	-47.76	319.19	2.40	-45.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=N1	REAL300025562995	0	30	-1.0	-45.97	279.79	-0.64	-46.61
CC1=C(Br)SC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562996	0	27	-1.0	-44.71	271.22	1.80	-42.91
CCOC(=O)CON=C(C(=O)NCCC1=NC(=O)O[N-]1)C1=NNC=C1	REAL300025562997	0	40	-1.0	-50.54	359.63	0.55	-49.99
CCOC(=O)CON=C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=NN1	REAL300025562997	1	40	-1.0	-44.94	357.83	0.55	-44.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(O)=CC=C1C(F)(F)F	REAL300025562998	0	31	-1.0	-50.07	284.46	-0.28	-50.35
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300025562999	0	39	-1.0	-53.04	339.92	3.92	-49.12
CC1CN(C2=CC=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)CC(C)O1	REAL300025563000	0	45	-1.0	-46.08	367.26	0.15	-45.93
CC1=CC=C(N2C=NN=C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563001	0	36	-1.0	-54.94	314.24	5.23	-49.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(Cl)C(C2CC2)=C1	REAL300025563002	0	33	-1.0	-43.60	302.04	2.18	-41.42
CC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N=C1C	REAL300025563003	0	37	-1.0	-46.29	312.12	1.49	-44.80
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C=C1	REAL300025563004	0	37	-1.0	-49.07	330.22	3.19	-45.88
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563005	0	47	-1.0	-50.44	391.21	1.98	-48.46
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025563006	0	48	-1.0	-47.98	389.55	4.49	-43.49
C=CCSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563007	0	35	-1.0	-49.00	313.30	3.96	-45.04
O=C(NCCC1=NC(=O)O[N-]1)C(O)C(O)C1=NC2=CC=CC=C2N1	REAL300025563008	0	38	-1.0	-52.04	330.70	-2.76	-54.80
CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025563009	0	33	-1.0	-47.34	307.43	3.40	-43.94
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CC1	REAL300025563010	0	37	-1.0	-49.53	327.11	4.25	-45.28
CS(=O)C1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563011	0	35	-1.0	-56.12	309.44	1.47	-54.65
CSC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025563012	0	33	-1.0	-62.90	309.84	4.42	-58.48
CC(=O)CCC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563013	0	42	-1.0	-53.13	364.33	4.24	-48.89
COC1=CC=C(OC)C(NC(=O)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563014	0	39	-1.0	-45.24	337.95	-1.50	-46.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300025563015	0	30	-1.0	-46.02	287.55	2.60	-43.42
CC(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025563016	0	38	-1.0	-51.42	328.31	4.03	-47.39
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2Cl)CC1	REAL300025563017	0	37	-1.0	-48.28	325.81	5.31	-42.97
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300025563018	0	41	-1.0	-48.89	366.91	3.98	-44.91
O=C(CC1=CC=C(Br)C=C1O)NCCC1=NC(=O)O[N-]1	REAL300025563019	0	31	-1.0	-50.05	299.05	0.05	-50.00
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025563020	0	45	-1.0	-48.44	365.13	1.23	-47.21
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563021	0	46	-1.0	-46.30	378.59	-2.88	-49.18
O=C(NCCC1=NC(=O)O[N-]1)C1COCCN1C1CCCC1	REAL300025563022	0	43	-1.0	-45.46	331.19	-0.65	-46.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C(F)(F)F)=N1	REAL300025563023	0	26	-1.0	-43.14	271.55	-0.36	-43.50
CC1=NC(C#N)=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)O1	REAL300025563024	0	42	-1.0	-51.19	358.03	-1.91	-53.10
CN(C)C1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563025	0	41	-1.0	-46.35	341.87	3.44	-42.91
COC1=NC(C)=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563026	0	33	-1.0	-46.94	307.99	0.64	-46.30
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563027	0	43	-1.0	-44.33	345.51	-0.22	-44.55
COCCOC1=CC=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563028	0	42	-1.0	-50.79	362.80	2.23	-48.56
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563029	0	37	-1.0	-48.70	332.21	3.74	-44.96
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CN(C)C2=CC=CC=C12	REAL300025563030	0	40	-1.0	-48.41	340.22	4.57	-43.84
COC1=CC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025563031	0	34	-1.0	-44.15	304.77	2.08	-42.07
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025563032	0	40	-1.0	-49.06	342.69	2.63	-46.43
CC1=COC(C2=CC=CC=C2)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563033	0	37	-1.0	-48.07	325.32	3.75	-44.32
CCOC1=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL300025563034	0	41	-1.0	-52.16	349.83	2.53	-49.63
CC(C)(C)C1=CN=C(CCC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025563035	0	41	-1.0	-46.63	347.81	0.48	-46.15
O=C(CC1=CC=C(F)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025563036	0	30	-1.0	-46.42	292.55	2.79	-43.63
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CC2CC2)=N1	REAL300025563037	0	36	-1.0	-43.79	322.51	2.33	-41.46
CC1=C(C)C=C2C(C(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025563038	0	36	-1.0	-51.39	310.32	3.07	-48.32
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC(C(F)(F)F)=N1	REAL300025563039	0	31	-1.0	-41.81	298.02	0.58	-41.23
COCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025563040	0	38	-1.0	-50.28	340.70	1.56	-48.72
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563041	0	39	-1.0	-48.75	349.56	4.80	-43.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL300025563042	0	33	-1.0	-46.66	310.95	3.13	-43.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2C)=N1	REAL300025563043	0	39	-1.0	-44.62	347.28	3.80	-40.82
CN(C)C(=O)COC1=CC=C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563044	0	44	-1.0	-50.56	385.32	3.16	-47.40
CC(C)(C)OC(=O)N1CCCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025563045	0	51	-1.0	-46.22	398.30	4.89	-41.33
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025563046	0	40	-1.0	-47.54	350.07	3.87	-43.67
CC(C)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563047	0	39	-1.0	-54.76	343.12	0.57	-54.19
O=C(CCC1=CC=CC2=C1OCO2)NCCC1=NC(=O)O[N-]1	REAL300025563048	0	36	-1.0	-48.44	315.39	1.68	-46.76
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025563049	0	37	-1.0	-49.07	334.89	-2.38	-51.45
CNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025563050	0	34	-1.0	-49.55	315.90	-4.21	-53.76
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C(F)(F)F)O1	REAL300025563051	0	30	-1.0	-47.66	283.18	1.57	-46.09
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1	REAL300025563052	0	48	-1.0	-50.46	394.51	3.87	-46.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C(F)(F)F)N=C1	REAL300025563053	0	28	-1.0	-43.69	274.00	-0.05	-43.74
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(F)=C2)CCC1	REAL300025563054	0	40	-1.0	-48.56	339.97	4.59	-43.97
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(OC)C=C1	REAL300025563055	0	44	-1.0	-47.37	370.75	3.11	-44.26
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1C	REAL300025563056	0	43	-1.0	-47.22	359.14	4.75	-42.47
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025563057	0	40	-1.0	-45.63	357.99	4.33	-41.30
CC(C)(C)OCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025563058	0	39	-1.0	-43.93	333.77	0.80	-43.13
O=C(NCCC1=NC(=O)O[N-]1)C1(CCOCC2=CC=CC=C2)CC1	REAL300025563059	0	44	-1.0	-46.91	375.51	4.28	-42.63
CC(C)(C)OC(=O)N1CCCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563060	0	50	-1.0	-50.29	381.80	4.21	-46.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL300025563061	0	35	-1.0	-52.78	311.90	3.05	-49.73
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C(F)(F)F	REAL300025563062	0	34	-1.0	-52.87	306.62	0.33	-52.54
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCS(=O)(=O)CC2	REAL300025563063	0	37	-1.0	-54.51	317.74	-0.93	-55.44
CN(C(=O)OC(C)(C)C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CN(C)N=C1	REAL300025563064	0	50	-1.0	-55.84	405.63	2.19	-53.65
NS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025563065	0	31	-1.0	-54.14	293.69	-5.39	-59.53
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(=O)C2=CC=CC=C2)N=CN1	REAL300025563066	0	36	-1.0	-59.08	317.61	4.61	-54.47
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1CN(C(=O)OC(C)(C)C)C1	REAL300025563067	0	47	-1.0	-53.02	381.14	2.15	-50.87
CC1CCN(C(=O)OC(C)(C)C)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025563068	0	50	-1.0	-54.12	388.10	3.62	-50.50
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563069	0	43	-1.0	-46.65	363.54	6.44	-40.21
COC1=CC=C(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)C=C1OC	REAL300025563070	0	45	-1.0	-51.47	388.51	2.35	-49.12
CC1=CC=C(C2=CNC=C2C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563071	0	35	-1.0	-54.41	319.50	2.99	-51.42
CCN1C=C(C2=NNC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025563072	0	37	-1.0	-55.81	324.72	0.21	-55.60
O=C(CCCCCC1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563073	0	42	-1.0	-48.16	360.23	5.44	-42.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300025563074	0	30	-1.0	-43.50	298.74	3.05	-40.45
CC12CC3(C)CC(C)(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C2)C3	REAL300025563075	0	50	-1.0	-44.95	368.62	4.94	-40.01
CC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025563076	0	36	-1.0	-45.62	327.96	4.17	-41.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=CC=C2F)S1	REAL300025563077	0	36	-1.0	-44.92	339.26	3.22	-41.70
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1Cl	REAL300025563078	0	35	-1.0	-49.97	317.15	2.03	-47.94
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025563079	0	47	-1.0	-54.66	377.37	2.28	-52.38
O=C(NCCC1=NC(=O)O[N-]1)C(O)CC1=CC=CC(C(F)(F)F)=C1	REAL300025563080	0	37	-1.0	-46.61	338.09	1.96	-44.65
CC(C)(C)C1=NN=C2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN21	REAL300025563081	0	41	-1.0	-48.06	340.56	3.92	-44.14
CCCCOC1=CC(OC)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563082	0	44	-1.0	-50.86	364.85	3.91	-46.95
O=C(CC1(CSC2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025563083	0	41	-1.0	-46.67	355.51	5.38	-41.29
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563084	0	37	-1.0	-47.71	323.10	3.37	-44.34
O=C(CCCCC(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563085	0	41	-1.0	-48.04	358.94	4.48	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300025563086	0	32	-2.0	-79.80	301.70	1.39	-78.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=C(F)C=C(F)C=C2C1=O	REAL300025563086	1	33	-1.0	-47.97	304.16	1.82	-46.15
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL300025563087	0	33	-1.0	-45.84	305.18	0.00	-45.84
CCN1C=C(C2=NN(C)C=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025563088	0	40	-1.0	-56.37	347.55	1.52	-54.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1Br	REAL300025563089	0	27	-1.0	-44.11	280.86	2.78	-41.33
O=C(CCC1=CN=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025563090	0	38	-1.0	-47.52	327.23	3.37	-44.15
COC(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563091	0	36	-1.0	-51.70	320.26	2.97	-48.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NNC=N2)C=C1	REAL300025563092	0	33	-1.0	-51.29	298.35	2.41	-48.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=CN2)C=C1	REAL300025563092	1	33	-1.0	-54.74	296.79	2.74	-52.00
COC1=CC2=CC=C([C@H](C)C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025563093	0	43	-1.0	-50.11	359.10	4.30	-45.81
CCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025563094	0	41	-1.0	-47.14	349.15	3.71	-43.43
CC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025563095	0	44	-1.0	-47.02	367.05	4.33	-42.69
O=C(NCCC1=NC(=O)O[N-]1)C1=C(I)C=NN1	REAL300025563096	0	24	-1.0	-43.46	250.17	-0.88	-44.34
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1OC	REAL300025563097	0	44	-1.0	-50.21	370.64	3.29	-46.92
O=C(CCC(=O)C1=CC=C(Cl)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025563098	0	34	-1.0	-45.90	322.79	1.69	-44.21
CC1=NC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025563099	0	28	-1.0	-42.30	273.90	0.19	-42.11
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2CCCCC2)=N1	REAL300025563100	0	39	-1.0	-43.00	328.24	0.14	-42.86
CN1C(=O)NC2=NC=C(C3=CC=CC(C(=O)NCCC4=NC(=O)O[N-]4)=C3)C=C21	REAL300025563101	0	43	-1.0	-54.59	370.49	3.06	-51.53
O=C(CNC(=O)C1=CC=C(F)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025563102	0	34	-1.0	-46.06	313.22	0.17	-45.89
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563103	0	37	-1.0	-53.35	326.43	1.66	-51.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(Cl)S1	REAL300025563104	0	31	-1.0	-50.47	307.56	1.32	-49.15
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(Cl)S2)NN=C1	REAL300025563104	1	31	-1.0	-46.10	307.93	1.22	-44.88
CC1=CN(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)C(C)=NN2C)N=C1	REAL300025563105	0	40	-1.0	-53.01	348.31	2.34	-50.67
O=C(CNC(=O)C1=CC=C(Br)S1)NCCC1=NC(=O)O[N-]1	REAL300025563106	0	31	-1.0	-44.44	316.05	-0.24	-44.68
O=C(CNC(=O)C1=CC=CC(O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563107	0	35	-1.0	-47.33	313.30	-2.83	-50.16
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563108	0	34	-1.0	-44.18	315.10	0.16	-44.02
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563109	0	34	-1.0	-45.71	314.96	0.15	-45.56
O=C(CNC(=O)C1=CC2=C(CCC2)S1)NCCC1=NC(=O)O[N-]1	REAL300025563110	0	38	-1.0	-46.17	340.30	1.05	-45.12
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025563111	0	34	-1.0	-48.98	328.05	0.36	-48.62
C=CCCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025563112	0	40	-1.0	-45.29	339.95	4.71	-40.58
CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563113	0	46	-1.0	-45.23	386.25	0.62	-44.61
O=C(NCCC1=NC(=O)O[N-]1)C1COCCN1CC(F)F	REAL300025563114	0	36	-1.0	-44.65	293.62	-2.37	-47.02
N#CC(=CC1=CC=C(O)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563115	0	33	-1.0	-44.37	304.26	-0.01	-44.38
CSCC(C)C(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563116	0	47	-1.0	-51.94	385.95	3.03	-48.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(=S)NN=C2C=C1	REAL300025563117	0	30	-1.0	-54.50	287.18	2.51	-51.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300025563117	1	29	-2.0	-97.22	283.76	2.34	-94.88
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025563118	0	54	-1.0	-47.60	413.66	2.53	-45.07
N#CC1=CC=CC(N2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025563119	0	35	-1.0	-52.98	325.57	3.09	-49.89
CC1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025563120	0	30	-1.0	-45.32	299.07	2.40	-42.92
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563121	0	43	-1.0	-45.33	367.85	2.36	-42.97
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563122	0	37	-1.0	-47.05	329.52	3.44	-43.61
O=C(NCCC1=NC(=O)O[N-]1)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL300025563123	0	33	-1.0	-47.36	310.44	3.25	-44.11
CCC(C)(C)C1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563124	0	51	-1.0	-45.03	363.77	4.75	-40.28
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N=C1	REAL300025563125	0	36	-1.0	-49.14	316.09	0.99	-48.15
CC(C)(CC(=O)NCCC1=NC(=O)O[N-]1)CC(=O)C1=CC=CC=C1	REAL300025563126	0	44	-1.0	-53.82	353.44	4.67	-49.15
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563127	0	37	-1.0	-55.18	320.29	0.17	-55.01
CC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563127	1	37	-1.0	-57.43	319.99	0.20	-57.23
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C2=CC=CC=C2Cl)=NO1	REAL300025563128	0	38	-1.0	-46.26	343.05	3.12	-43.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2OCCO2)S1	REAL300025563129	0	32	-1.0	-47.57	299.03	-1.68	-49.25
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300025563130	0	36	-2.0	-90.53	335.77	1.70	-88.83
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300025563130	1	36	-2.0	-94.43	335.68	1.66	-92.77
NS(=O)(=O)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Cl)S1	REAL300025563131	0	29	-1.0	-55.00	299.15	-2.61	-57.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1CCCCC1	REAL300025563132	0	45	-1.0	-45.22	354.48	4.04	-41.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Br)=C2C=C1	REAL300025563133	0	33	-1.0	-45.38	307.74	4.31	-41.07
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025563134	0	36	-1.0	-46.54	322.59	3.77	-42.77
CC1=CC=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=C1	REAL300025563135	0	38	-1.0	-50.48	321.21	3.91	-46.57
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1	REAL300025563136	0	35	-1.0	-49.58	341.31	3.88	-45.70
COC1=CC=C(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C(F)=C1	REAL300025563137	0	40	-1.0	-44.95	360.27	2.37	-42.58
CCN1N=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)N=C21	REAL300025563138	0	38	-1.0	-47.51	325.86	2.23	-45.28
CC(O)(CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563139	0	40	-1.0	-44.77	336.63	1.15	-43.62
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL300025563140	0	33	-1.0	-53.43	296.23	3.16	-50.27
COCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)S1	REAL300025563141	0	40	-1.0	-46.77	362.90	2.13	-44.64
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(I)C=C2)CC1	REAL300025563142	0	34	-1.0	-45.32	322.08	4.34	-40.98
CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300025563143	0	43	-1.0	-45.88	353.86	1.34	-44.54
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563144	0	40	-1.0	-45.88	333.29	4.79	-41.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N=C(N3CCCC3)S2)S1	REAL300025563145	0	38	-1.0	-44.54	347.52	1.91	-42.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(OC(F)(F)F)=C1	REAL300025563146	0	31	-1.0	-46.48	309.68	2.00	-44.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C2=NC=CC=C12	REAL300025563147	0	32	-1.0	-46.98	295.87	2.50	-44.48
COCCOC1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563148	0	37	-1.0	-48.85	323.34	-0.78	-49.63
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Br)C=C1[N+](=O)[O-]	REAL300025563149	0	31	-1.0	-42.98	298.98	1.23	-41.75
CCOC(=O)OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563150	0	37	-1.0	-47.97	331.53	3.47	-44.50
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCC1=CC(Br)=CC=C12	REAL300025563151	0	38	-1.0	-48.01	337.45	5.25	-42.76
COC1=CC=C(C(=O)N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563152	0	45	-1.0	-55.83	365.20	1.70	-54.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL300025563153	0	37	-1.0	-43.54	330.88	2.76	-40.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC1=CC=CC=C1[N+](=O)[O-]	REAL300025563154	0	40	-1.0	-57.55	361.24	6.04	-51.51
CC1=CC=CC(OC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563155	0	41	-1.0	-53.37	352.95	6.28	-47.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=NC=C1	REAL300025563156	0	37	-1.0	-52.21	324.94	3.79	-48.42
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL300025563157	0	39	-1.0	-54.41	357.07	3.74	-50.67
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(CC(F)F)CC1	REAL300025563158	0	38	-1.0	-46.82	306.99	-0.17	-46.99
O=C(NCCC1=NC(=O)O[N-]1)C1C2C3CC4C5CC(C2C35)C41	REAL300025563159	0	40	-1.0	-46.08	303.41	3.77	-42.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1OC1=CC=CC=C1	REAL300025563160	0	37	-1.0	-49.92	324.78	3.72	-46.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC=C1OC1=CC=CC=C1	REAL300025563161	0	37	-1.0	-50.64	326.59	3.78	-46.86
CC1=NN(C)C(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563162	0	30	-1.0	-45.04	291.95	0.26	-44.78
CC(SC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1)C(N)=O	REAL300025563163	0	38	-1.0	-57.33	335.03	-0.08	-57.41
O=C(CC1=C(F)C=CC(Br)=C1F)NCCC1=NC(=O)O[N-]1	REAL300025563164	0	30	-1.0	-47.00	299.14	2.88	-44.12
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563165	0	38	-1.0	-56.61	330.13	2.58	-54.03
CCOC(CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1N)OCC	REAL300025563166	0	46	-1.0	-46.50	383.69	-0.05	-46.55
COC1=CC=C2OC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025563167	0	34	-1.0	-55.07	301.46	1.15	-53.92
CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C(CC(C)(C)C)=NOC2=N1	REAL300025563168	0	49	-1.0	-45.81	390.05	2.97	-42.84
CCCC1=NOC2=NC(CC)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025563169	0	43	-1.0	-45.56	360.58	1.36	-44.20
CC(C)C(NC(=O)C(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563170	0	45	-1.0	-43.08	357.49	1.22	-41.86
CC(C)(COCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563171	0	43	-1.0	-44.73	359.72	3.68	-41.05
O=C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025563172	0	37	-1.0	-59.83	339.54	-0.60	-60.43
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2(O)CCOCC2)OC=C1	REAL300025563173	0	39	-1.0	-47.68	322.35	-0.80	-48.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=NNN=C21	REAL300025563174	0	29	-1.0	-49.14	285.08	-0.53	-49.67
CC(C)C(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025563175	0	49	-1.0	-52.43	384.13	1.29	-51.14
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)CN2N=NN=C2N1C	REAL300025563176	0	35	-1.0	-46.93	302.90	1.29	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CN=N2)=C1	REAL300025563177	0	32	-1.0	-54.95	290.88	-0.36	-55.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL300025563178	0	30	-1.0	-44.88	307.25	2.97	-41.91
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CCOC1=CC=C(F)C=C1	REAL300025563179	0	43	-1.0	-45.55	379.07	1.90	-43.65
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563180	0	40	-1.0	-42.97	363.42	1.93	-41.04
CN1C=C(OC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025563181	0	38	-1.0	-53.17	333.98	3.32	-49.85
COC1=CC=CC=C1N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025563182	0	41	-1.0	-50.33	350.35	2.64	-47.69
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563183	0	43	-1.0	-50.19	360.28	3.47	-46.72
NC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1Cl	REAL300025563184	0	30	-1.0	-48.20	287.87	-2.96	-51.16
NC1=C(F)C=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563185	0	29	-1.0	-41.64	276.09	0.36	-41.28
CCC(O)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025563186	0	37	-1.0	-44.02	323.54	1.44	-42.58
CCC1=NC2=CC=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025563187	0	41	-1.0	-46.07	344.08	3.38	-42.69
CN(C)S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025563188	0	38	-1.0	-53.15	339.62	-0.62	-53.77
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=CC(Cl)=CC2=C1	REAL300025563189	0	30	-1.0	-45.72	291.37	1.71	-44.01
NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025563190	0	34	-1.0	-54.03	315.97	-2.26	-56.29
CC1=CC=C2C(C(=O)NCCC3=NC(=O)O[N-]3)=CSC2=C1	REAL300025563191	0	33	-1.0	-48.20	299.07	3.51	-44.69
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300025563192	0	36	-1.0	-46.45	339.74	4.01	-42.44
O=C(CN1CCC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025563193	0	38	-1.0	-57.25	326.75	2.66	-54.59
CC1=CC(=O)N(CC(C)(O)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563194	0	40	-1.0	-49.39	337.00	-0.05	-49.44
CN(C)C1=CC(F)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025563195	0	37	-1.0	-46.41	327.94	2.89	-43.52
O=C(CCCC(=O)C1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563196	0	38	-1.0	-55.84	352.33	4.26	-51.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN1C1=C(Cl)C=CC=C1Cl	REAL300025563197	0	35	-1.0	-47.11	338.95	5.81	-41.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL300025563198	0	31	-1.0	-43.67	299.68	1.86	-41.81
CN1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025563199	0	38	-1.0	-54.91	322.77	2.26	-52.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC(F)(F)F	REAL300025563200	0	37	-1.0	-46.42	332.98	4.34	-42.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=CC=C1F	REAL300025563201	0	35	-1.0	-56.42	315.39	3.12	-53.30
CCCCCCCCCC(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563202	0	53	-1.0	-45.03	414.86	6.69	-38.34
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC=C12	REAL300025563203	0	40	-1.0	-49.26	337.34	3.59	-45.67
NC(=O)CC(NC(=O)C1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563204	0	41	-1.0	-54.01	366.32	-0.64	-54.65
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025563205	0	38	-1.0	-61.51	350.22	-2.88	-64.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(O)=C2C=CSC2=C1	REAL300025563206	0	31	-1.0	-47.18	291.04	0.05	-47.13
NC1=C(Cl)C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025563207	0	29	-1.0	-45.87	282.88	0.56	-45.31
O=C(CCC(=O)NCCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300025563208	0	47	-2.0	-92.70	406.95	1.54	-91.16
O=C(CCC(=O)NC1=NN=C(C2CCCCC2)S1)NCCC1=NC(=O)O[N-]1	REAL300025563208	1	48	-1.0	-51.88	410.23	2.67	-49.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NCC2CC2)N=C1	REAL300025563209	0	38	-1.0	-45.96	326.07	1.79	-44.17
CC(C)(C)OC(=O)N1CCC(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025563210	0	51	-1.0	-50.47	415.88	1.59	-48.88
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CN=CC(Br)=C2)CC1	REAL300025563211	0	33	-1.0	-45.73	310.65	2.06	-43.67
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025563212	0	43	-1.0	-50.29	363.78	1.52	-48.77
O=C(CC1=C(Br)C(=O)NC=C1)NCCC1=NC(=O)O[N-]1	REAL300025563213	0	30	-1.0	-55.82	289.81	-0.37	-56.19
COC1=CC=CC(C(C)CCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563214	0	46	-1.0	-48.28	376.10	4.22	-44.06
CC1=CC(F)=CC(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025563215	0	36	-1.0	-44.00	328.46	1.97	-42.03
CC1=NC2=C(CCCC2C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563216	0	36	-1.0	-45.99	312.38	2.29	-43.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL300025563217	0	35	-1.0	-49.33	324.79	3.41	-45.92
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC(C)=C(C)C=C21	REAL300025563218	0	39	-1.0	-44.57	336.01	4.77	-39.80
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300025563219	0	37	-1.0	-44.60	328.88	4.51	-40.09
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)NC2=CC=C(Br)C=C21	REAL300025563220	0	35	-1.0	-51.31	324.87	1.18	-50.13
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(C)=C1	REAL300025563221	0	46	-1.0	-47.49	383.71	5.26	-42.23
O=C(CC1CC(C2=CC=CC=C2)C1)NCCC1=NC(=O)O[N-]1	REAL300025563222	0	40	-1.0	-46.72	332.66	4.80	-41.92
CC1=CC=C(C)C(C(C)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C)=C1	REAL300025563223	0	54	-1.0	-48.25	428.98	6.81	-41.44
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1CC1=CC=CC=C1	REAL300025563224	0	40	-1.0	-48.43	336.27	3.31	-45.12
C[C@H](OC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563225	0	34	-1.0	-48.39	314.77	3.35	-45.04
CC(C)(C)OC(=O)NC(CCC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563226	0	46	-1.0	-44.29	385.15	0.92	-43.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)C2CCCC2)=CC=C1F	REAL300025563227	0	43	-1.0	-52.69	371.60	1.96	-50.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1	REAL300025563228	0	34	-1.0	-48.57	335.05	4.78	-43.79
CC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563229	0	50	-1.0	-45.23	412.63	3.25	-41.98
COC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1O	REAL300025563230	0	39	-1.0	-53.09	337.41	-0.77	-53.86
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(C(F)(F)F)CC1	REAL300025563231	0	36	-1.0	-49.08	299.93	2.57	-46.51
CC(=O)NC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563232	0	37	-1.0	-51.01	321.13	1.31	-49.70
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL300025563233	0	38	-1.0	-47.40	320.77	2.99	-44.41
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCCO	REAL300025563234	0	39	-1.0	-51.52	335.15	-1.41	-52.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=CC=C12	REAL300025563235	0	33	-1.0	-46.24	290.32	3.83	-42.41
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=COC=C2)=N1	REAL300025563236	0	34	-1.0	-52.73	304.54	0.97	-51.76
COC(CNC(=O)OC(C)(C)C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563237	0	47	-1.0	-48.80	381.39	-0.32	-49.12
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=NC=C2)C=C1	REAL300025563238	0	33	-1.0	-47.88	299.83	0.94	-46.94
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300025563238	1	34	0.0	-77.59	303.20	1.40	-76.19
CN(CCO)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563239	0	42	-1.0	-49.57	366.52	-2.84	-52.41
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(S(N)(=O)=O)O1	REAL300025563240	0	32	-1.0	-49.76	301.56	-4.67	-54.43
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)C=C2Cl)=NO1	REAL300025563241	0	36	-1.0	-42.69	357.32	4.36	-38.33
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)C(Cl)=C2)=NO1	REAL300025563242	0	36	-1.0	-44.03	354.89	4.47	-39.56
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563243	0	47	-1.0	-44.55	391.10	2.53	-42.02
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025563244	0	36	-1.0	-51.38	321.03	3.30	-48.08
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC(Cl)=C2Cl)=NO1	REAL300025563245	0	36	-1.0	-43.58	355.78	4.31	-39.27
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300025563246	0	36	-2.0	-117.71	356.61	2.33	-115.38
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025563247	0	37	-2.0	-113.50	336.25	1.42	-112.08
CC(C)CC(=O)NC(CC(N)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563248	0	43	-1.0	-56.05	361.55	-2.82	-58.87
C[Si](C)(C)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563249	0	42	-1.0	-48.82	360.79	6.71	-42.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C2=C1OCCC2	REAL300025563250	0	35	-1.0	-48.43	312.88	3.96	-44.47
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL300025563251	0	31	-1.0	-43.57	305.29	3.35	-40.22
CC1=NC(CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)=NO1	REAL300025563252	0	37	-1.0	-48.20	333.34	-2.25	-50.45
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(C(F)(F)F)C=C1	REAL300025563253	0	42	-1.0	-47.38	380.36	3.22	-44.16
CC1=NC(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)=NO1	REAL300025563254	0	34	-1.0	-49.89	317.42	-2.78	-52.67
CCC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025563255	0	30	-1.0	-44.24	287.22	-0.05	-44.29
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300025563256	0	42	-1.0	-46.89	367.67	2.93	-43.96
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025563257	0	43	-2.0	-109.90	371.76	2.69	-107.21
O=C(CC1=CC=CN=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025563258	0	29	-1.0	-50.19	280.69	0.81	-49.38
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C=CC2=CC=CC=C2C1=O	REAL300025563259	0	39	-1.0	-50.34	333.03	3.36	-46.98
CN1N=CC2=C1N(C)C=C(C(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025563260	0	36	-1.0	-53.83	309.86	1.56	-52.27
CC1=C(S(N)(=O)=O)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025563261	0	32	-1.0	-50.14	321.18	-3.32	-53.46
COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025563262	0	33	-1.0	-63.17	299.76	2.68	-60.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1F	REAL300025563263	0	27	-1.0	-46.06	285.17	2.71	-43.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(Cl)=C1F	REAL300025563264	0	27	-1.0	-48.94	283.38	2.67	-46.27
COC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563265	0	43	-1.0	-49.99	364.25	5.53	-44.46
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300025563266	0	45	-1.0	-56.37	384.14	3.85	-52.52
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC(F)=CC=C21	REAL300025563267	0	34	-1.0	-56.81	304.35	3.28	-53.53
CC(=O)NC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300025563268	0	46	-1.0	-65.74	393.70	-1.18	-66.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=C1[N+](=O)[O-]	REAL300025563269	0	43	-1.0	-55.42	378.80	6.50	-48.92
N#CCCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025563270	0	41	-1.0	-63.91	362.30	5.39	-58.52
CC1=NC2=CC=CC=C2C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563271	0	38	-1.0	-46.78	324.06	2.72	-44.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=C(Cl)C=CC=C1Cl	REAL300025563272	0	33	-1.0	-45.74	322.15	2.71	-43.03
O=C(CC1=CSC(CC2=CC=CC(Cl)=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025563273	0	39	-1.0	-50.58	371.49	4.37	-46.21
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=C(F)C=CC=C2F)=NO1	REAL300025563274	0	35	-1.0	-55.35	325.31	2.94	-52.41
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(C2=CC=CC=C2)=CS1	REAL300025563275	0	33	-1.0	-51.32	308.84	2.25	-49.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC2=CC=C(F)C=C2F)=C1	REAL300025563276	0	37	-1.0	-49.12	343.50	1.97	-47.15
CS(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563277	0	35	-1.0	-58.82	320.14	0.81	-58.01
CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025563278	0	33	-1.0	-54.03	304.23	1.14	-52.89
O=C(CCCOC1=CC=C2CCC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025563279	0	45	-1.0	-54.89	379.12	1.80	-53.09
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300025563280	0	39	-1.0	-46.82	344.63	2.16	-44.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1NC1=CC=CC=C1C2=O	REAL300025563281	0	39	-1.0	-48.22	335.81	3.88	-44.34
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563282	0	53	0.0	-68.97	417.26	7.06	-61.91
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563282	1	53	0.0	-68.16	416.63	7.01	-61.15
CC(C)N1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563282	1	52	-1.0	-52.48	411.44	4.69	-47.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1	REAL300025563283	0	39	-1.0	-59.89	353.45	3.24	-56.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=CN=C2)=C1	REAL300025563284	0	37	-1.0	-52.04	326.58	4.80	-47.24
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563285	0	36	-1.0	-58.95	322.91	2.59	-56.36
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563286	0	31	-1.0	-43.90	286.30	0.43	-43.47
CCOC1=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1	REAL300025563287	0	37	-1.0	-51.46	323.58	-1.06	-52.52
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)OC=C1	REAL300025563288	0	24	-1.0	-46.45	245.71	0.22	-46.23
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025563289	0	36	-1.0	-47.35	308.91	3.52	-43.83
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CC(=O)C1	REAL300025563290	0	36	-1.0	-47.94	334.51	3.50	-44.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-]	REAL300025563291	0	38	-1.0	-58.41	340.68	4.88	-53.53
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300025563292	0	38	-1.0	-45.35	341.83	3.36	-41.99
N#CC1=CC=CC(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025563293	0	34	-1.0	-45.74	322.86	2.91	-42.83
CC1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025563294	0	30	-1.0	-48.23	291.53	2.53	-45.70
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C1=CC=CC=C1	REAL300025563295	0	39	-1.0	-49.45	323.84	2.33	-47.12
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(Br)=C1F	REAL300025563296	0	27	-1.0	-47.53	280.17	2.09	-45.44
O=C(CC1=CC=CC(N2CCCC2=O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563297	0	41	-1.0	-54.24	345.25	3.33	-50.91
CC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025563298	0	40	-1.0	-54.75	347.50	3.77	-50.98
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563299	0	40	-1.0	-51.85	339.33	4.99	-46.86
COC1=CC=C(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1OC	REAL300025563300	0	41	-1.0	-48.20	368.72	1.68	-46.52
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025563301	0	45	-1.0	-47.99	384.82	3.55	-44.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2N=CC3=CC=CC=C32)C=C1Cl	REAL300025563302	0	40	-1.0	-51.72	359.47	5.31	-46.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2C=C1F	REAL300025563303	0	31	-1.0	-50.82	283.84	0.06	-50.76
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1CCCC1	REAL300025563304	0	42	-1.0	-44.80	340.02	1.59	-43.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCOC2)C=C1	REAL300025563305	0	39	-1.0	-47.58	328.52	1.18	-46.40
CC(C)(C)C(=O)NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563306	0	49	-1.0	-47.23	383.30	2.58	-44.65
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)S2)=N1	REAL300025563307	0	34	-1.0	-51.03	330.43	2.63	-48.40
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC(F)F)=C1	REAL300025563308	0	35	-1.0	-50.90	309.76	1.69	-49.21
CC(C)NC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025563309	0	48	-1.0	-55.22	376.36	0.88	-54.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1C(=O)C1=CC=CC=C1	REAL300025563310	0	39	-1.0	-48.24	352.89	4.96	-43.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1=NNC=N1	REAL300025563311	0	36	-1.0	-51.80	343.75	3.34	-48.46
CN1N=NN=C1SC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563312	0	38	-1.0	-51.15	360.25	2.21	-48.94
CC(C)(C)C1=CC=C(C(O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563313	0	49	-1.0	-46.78	394.11	3.02	-43.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)C=N1	REAL300025563314	0	33	-1.0	-46.90	296.58	2.22	-44.68
CCNC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563315	0	35	-1.0	-43.11	311.21	2.04	-41.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1N1C=CC=N1	REAL300025563316	0	34	-1.0	-52.76	306.01	3.05	-49.71
CC1(C)COC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025563317	0	38	-1.0	-52.64	319.15	3.43	-49.21
O=C(CC1=CC=CC(Cl)=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025563318	0	30	-1.0	-47.80	297.35	3.11	-44.69
CC1=CC=CC=C1N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(C)C	REAL300025563319	0	46	-1.0	-45.83	370.71	5.20	-40.63
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025563320	0	46	-1.0	-52.19	383.51	0.85	-51.34
CCOC1=CC=C(C2=NC(CC)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025563321	0	46	-1.0	-44.90	399.93	4.03	-40.87
O=C(CC1=CSC2=CC=C(Br)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025563322	0	33	-1.0	-47.90	325.63	4.19	-43.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=CN=C1Cl	REAL300025563323	0	33	-1.0	-47.45	300.25	2.27	-45.18
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)SC(SC(F)F)=N1	REAL300025563324	0	33	-1.0	-51.58	327.02	1.73	-49.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC1=CC=CC=C1F	REAL300025563325	0	40	-1.0	-51.62	352.54	3.54	-48.08
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1F	REAL300025563326	0	39	-1.0	-45.96	345.35	2.07	-43.89
NC(=O)C1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563327	0	37	-1.0	-53.13	315.27	-0.23	-53.36
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCCCC2)CCCCC1	REAL300025563328	0	49	-1.0	-46.02	353.25	4.82	-41.20
O=C(CN1C=CC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025563329	0	36	-1.0	-56.61	318.45	3.11	-53.50
O=C(CC1=CC=C(I)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563330	0	30	-1.0	-46.51	295.71	3.32	-43.19
CC1=CC=CC2=C1C(C)CC2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563331	0	43	-1.0	-45.36	344.48	5.04	-40.32
O=C(C=CC1=CC=CC=C1N1C=CC=N1)NCCC1=NC(=O)O[N-]1	REAL300025563332	0	38	-1.0	-54.87	336.06	4.19	-50.68
O=C(CCOCC(F)(F)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025563333	0	33	-1.0	-45.87	308.82	0.62	-45.25
CC(O)(CN1C=C(C(F)(F)F)C=CC1=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563334	0	40	-1.0	-48.52	354.01	-0.36	-48.88
CC(C)(C)CC(CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563335	0	55	-1.0	-50.64	405.44	2.57	-48.07
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2=C(O)C=CC=C21	REAL300025563336	0	38	-1.0	-46.46	314.83	1.24	-45.22
COCCOC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563337	0	44	-1.0	-47.11	357.00	1.02	-46.09
COC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C(F)C=C1	REAL300025563338	0	35	-1.0	-46.64	313.06	0.83	-45.81
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N2C=C(Br)C=CC2=N1	REAL300025563339	0	33	-1.0	-45.51	316.43	2.97	-42.54
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2C)=NO1	REAL300025563340	0	39	-1.0	-45.88	336.22	3.99	-41.89
CC1=C(C(C)C)N=C(CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563341	0	38	-1.0	-49.52	336.69	2.02	-47.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2NC=C(Br)C=C12	REAL300025563342	0	30	-1.0	-55.45	289.52	1.49	-53.96
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563343	0	47	-1.0	-57.55	377.64	2.75	-54.80
CC1=CC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1I	REAL300025563344	0	33	-1.0	-43.01	304.67	3.85	-39.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1	REAL300025563345	0	39	-1.0	-49.54	345.92	2.32	-47.22
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563346	0	36	-1.0	-53.05	328.70	3.18	-49.87
CC1=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N1C	REAL300025563347	0	36	-1.0	-50.14	311.00	2.65	-47.49
CC(C)(C#N)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563348	0	37	-1.0	-51.05	319.84	3.49	-47.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300025563349	0	46	0.0	-75.26	362.91	5.25	-70.01
CC(C)(C)OC(=O)N1CC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025563350	0	45	-1.0	-49.41	372.88	2.19	-47.22
CN1N=C(C(F)F)C2=C1SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025563351	0	33	-1.0	-47.68	319.44	1.46	-46.22
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563352	0	40	-1.0	-52.03	339.46	5.01	-47.02
CC1=CC=CC(=O)N1CC(C)(O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563353	0	40	-1.0	-52.08	325.89	-0.63	-52.71
CC(C)CN1C=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025563354	0	43	-1.0	-51.46	350.15	5.19	-46.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(=O)O1	REAL300025563355	0	32	-1.0	-45.67	293.62	2.86	-42.81
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)SC=N1	REAL300025563356	0	26	-1.0	-48.71	270.97	-0.51	-49.22
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563357	0	40	-1.0	-48.69	354.31	3.10	-45.59
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025563358	0	40	-1.0	-46.85	344.53	2.93	-43.92
N#CC1=CC=C(CC(C#N)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563359	0	35	-1.0	-47.81	327.88	3.54	-44.27
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2CCCCC2)C=C1	REAL300025563360	0	40	-1.0	-46.32	330.57	2.56	-43.76
COC1=CC=C(OC)C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)C2)=C1	REAL300025563361	0	43	-1.0	-56.12	368.12	1.74	-54.38
COC1=CC=CC(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)C2)=C1	REAL300025563362	0	39	-1.0	-56.48	340.84	2.18	-54.30
O=C(CCSCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025563363	0	37	-1.0	-45.13	334.02	4.39	-40.74
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)SC(SC(F)(F)F)=N1	REAL300025563364	0	33	-1.0	-48.64	333.59	1.93	-46.71
O=C(CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025563365	0	32	-1.0	-49.17	311.18	3.11	-46.06
CC(C)(C)OC(=O)NC1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563366	0	50	-1.0	-48.45	406.93	3.56	-44.89
CC1=CSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025563367	0	27	-1.0	-45.76	272.54	1.78	-43.98
CCCOC1=NC(C)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563368	0	39	-1.0	-51.51	333.28	1.85	-49.66
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Br)=CC=C1F	REAL300025563369	0	26	-1.0	-46.21	266.54	0.41	-45.80
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC=C1Br	REAL300025563370	0	26	-1.0	-46.58	256.81	0.46	-46.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1	REAL300025563371	0	35	-1.0	-49.03	328.59	1.14	-47.89
CC(C)(C)OC(=O)C1=NOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025563372	0	40	-1.0	-50.08	343.21	1.89	-48.19
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563373	0	47	-1.0	-46.38	381.38	2.45	-43.93
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025563374	0	51	-1.0	-46.67	391.34	3.61	-43.06
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CN=C2)=NO1	REAL300025563375	0	34	-1.0	-53.74	306.45	1.11	-52.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300025563376	0	43	0.0	-75.00	346.46	4.59	-70.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=NN1	REAL300025563377	0	24	-1.0	-43.41	246.84	-1.49	-44.90
CC(C)(C)OC(=O)NC1CCN(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563378	0	52	-1.0	-48.09	409.44	-0.52	-48.61
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563378	1	53	0.0	-67.76	411.28	1.65	-66.11
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=NO1	REAL300025563379	0	39	-1.0	-45.17	354.74	4.55	-40.62
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025563380	0	39	-1.0	-45.23	344.72	3.99	-41.24
O=C(NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1)C1CC1	REAL300025563381	0	44	-1.0	-47.69	355.41	2.12	-45.57
CN(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OCC1=CC=CC=C1	REAL300025563382	0	44	-1.0	-49.79	381.23	3.52	-46.27
N#CCC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025563383	0	37	-1.0	-51.65	322.80	3.75	-47.90
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(Cl)C=C21	REAL300025563384	0	32	-1.0	-48.92	298.44	1.74	-47.18
CN(C)S(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563385	0	41	-1.0	-54.67	363.53	0.22	-54.45
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)C1	REAL300025563386	0	35	-1.0	-47.25	301.08	-0.80	-48.05
CC[NH+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563387	0	45	0.0	-73.69	351.48	4.47	-69.22
CS(=O)(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025563388	0	38	-1.0	-54.03	355.38	-0.73	-54.76
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025563389	0	48	-1.0	-47.43	402.91	4.05	-43.38
O=C(COC1=CC=CC(I)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563390	0	31	-1.0	-50.46	304.63	3.21	-47.25
CCSCC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563391	0	37	-1.0	-46.79	323.75	4.29	-42.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC(F)=C1	REAL300025563392	0	33	-1.0	-42.35	300.13	1.90	-40.45
CS(=O)(=O)CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025563393	0	42	-1.0	-60.02	369.27	0.93	-59.09
CCCC(CCCS(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563394	0	44	-1.0	-53.49	368.01	0.14	-53.35
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCC(C)C)=C1	REAL300025563395	0	44	-1.0	-50.93	363.46	3.80	-47.13
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC(Br)=CC=C2O1	REAL300025563396	0	32	-1.0	-49.68	303.52	3.07	-46.61
O=C(CCC1=CC2=CC=CC=C2N=C1)NCCC1=NC(=O)O[N-]1	REAL300025563397	0	38	-1.0	-48.24	330.51	3.38	-44.86
CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025563398	0	34	-1.0	-48.98	304.88	0.54	-48.44
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Br)CC1	REAL300025563399	0	34	-1.0	-46.41	313.44	3.85	-42.56
O=C(C=CC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563400	0	33	-1.0	-42.69	306.24	2.72	-39.97
N#CC(CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563401	0	37	-1.0	-46.77	328.93	3.97	-42.80
CC(NC(=O)OC(C)(C)C)C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563402	0	46	-1.0	-49.98	368.44	0.75	-49.23
CCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025563403	0	40	-1.0	-48.18	338.83	3.41	-44.77
CC(CCC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025563404	0	46	-1.0	-46.75	375.69	0.88	-45.87
CCCOC1=CC(OC)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563405	0	41	-1.0	-50.84	343.35	3.13	-47.71
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC(C)C)=C1	REAL300025563406	0	41	-1.0	-51.03	339.77	2.94	-48.09
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1F	REAL300025563407	0	36	-1.0	-48.68	318.30	3.63	-45.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1	REAL300025563408	0	37	-1.0	-47.30	341.68	4.32	-42.98
CC(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025563409	0	43	-1.0	-47.99	360.23	4.11	-43.88
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCCOC(C)C)=C1	REAL300025563410	0	48	-1.0	-54.40	397.61	3.28	-51.12
NC(=O)C1=CC=CC=C1NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563411	0	36	-1.0	-56.22	310.04	-2.33	-58.55
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(Br)S1	REAL300025563412	0	26	-1.0	-42.35	269.31	-0.07	-42.42
C[NH+](C)CCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025563413	0	49	0.0	-74.07	396.78	4.71	-69.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1	REAL300025563414	0	35	-1.0	-49.24	335.19	1.27	-47.97
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)SC(Br)=N1	REAL300025563415	0	30	-1.0	-43.15	299.46	1.42	-41.73
O=C(CC1=CN=CN1CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025563416	0	40	-1.0	-53.44	342.82	4.87	-48.57
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563417	0	33	-1.0	-48.53	298.78	2.77	-45.76
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OCC1=CC=CC=C1	REAL300025563418	0	41	-1.0	-53.02	360.20	3.19	-49.83
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1C	REAL300025563419	0	36	-1.0	-43.27	315.41	2.10	-41.17
O=C(CCCCCN1C(=O)C2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025563420	0	46	-1.0	-54.92	398.67	4.18	-50.74
CC(C)(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025563421	0	46	-1.0	-47.92	376.93	4.26	-43.66
CC(O)(CN1CC2=CC=CC=C2C1=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563422	0	42	-1.0	-52.03	356.03	-0.06	-52.09
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL300025563423	0	43	-1.0	-46.38	350.84	3.40	-42.98
CCCCS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563424	0	42	-1.0	-51.61	368.42	1.55	-50.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)C=N1	REAL300025563425	0	33	-1.0	-46.35	311.46	0.50	-45.85
CC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1C	REAL300025563426	0	33	-1.0	-50.73	301.20	1.62	-49.11
CC(C)(C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(F)(F)F	REAL300025563427	0	39	-1.0	-45.48	332.14	4.04	-41.44
COC1=CC=C(C(=O)CCCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563428	0	48	-1.0	-55.92	403.34	4.51	-51.41
CCN1N=NC2=C1CCC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025563429	0	39	-1.0	-50.19	325.21	1.12	-49.07
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(Br)=N1	REAL300025563430	0	26	-1.0	-41.59	269.18	-0.11	-41.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCCCC2=O	REAL300025563431	0	39	-1.0	-47.14	326.31	3.72	-43.42
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)(C(F)(F)F)C1	REAL300025563433	0	47	-1.0	-45.63	389.98	2.54	-43.09
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=NC=C1	REAL300025563434	0	38	-1.0	-47.95	336.64	0.45	-47.50
CC1=CC(Br)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025563435	0	30	-1.0	-44.18	294.98	3.26	-40.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=C(F)C=C2O1	REAL300025563436	0	32	-1.0	-43.43	299.64	1.86	-41.57
COCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563437	0	44	-1.0	-46.64	365.02	-1.64	-48.28
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563438	0	42	-1.0	-47.35	365.11	2.54	-44.81
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCOC1	REAL300025563439	0	45	-1.0	-51.97	362.11	-1.46	-53.43
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563440	0	45	-1.0	-50.56	377.58	1.28	-49.28
N#CC1=CC(F)=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025563441	0	35	-1.0	-48.53	321.08	3.71	-44.82
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(C#N)=C1	REAL300025563442	0	37	-1.0	-47.72	325.79	3.60	-44.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1OCC1CC1	REAL300025563443	0	37	-1.0	-47.32	343.18	2.62	-44.70
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C2=CC=C(Cl)C=C2C#N)CC1	REAL300025563444	0	46	-1.0	-46.80	385.44	3.97	-42.83
CC(CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563445	0	43	-1.0	-51.09	351.91	-0.21	-51.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC(Br)=C21	REAL300025563446	0	33	-1.0	-49.63	302.33	4.51	-45.12
CC(OC1=CC=C(C=O)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563447	0	36	-1.0	-51.74	316.57	2.47	-49.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(Cl)C(Br)=C1	REAL300025563448	0	26	-1.0	-42.98	274.57	0.75	-42.23
CC(C)C1=CC=C2OC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025563449	0	39	-1.0	-51.45	332.15	3.79	-47.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1	REAL300025563450	0	42	-1.0	-50.13	363.18	5.85	-44.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL300025563451	0	37	-1.0	-50.62	326.88	1.72	-48.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)S1	REAL300025563452	0	27	-1.0	-42.13	275.85	1.72	-40.41
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300025563453	0	46	0.0	-59.68	366.97	5.61	-54.07
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300025563453	1	46	0.0	-59.63	366.93	5.59	-54.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1	REAL300025563454	0	41	-1.0	-58.99	355.34	3.55	-55.44
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=CS1	REAL300025563455	0	26	-1.0	-49.38	264.55	-0.23	-49.61
NS(=O)(=O)CCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563456	0	37	-1.0	-58.23	329.28	-3.44	-61.67
O=C(NCCC1=NC(=O)O[N-]1)C1CSC(C2=CC=CC=C2O)=N1	REAL300025563457	0	36	-1.0	-53.26	328.39	-0.89	-54.15
CN(C)S(=O)(=O)N(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563458	0	36	-1.0	-46.49	316.00	-3.02	-49.51
NS(=O)(=O)CCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563459	0	40	-1.0	-55.46	350.64	-2.64	-58.10
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563460	0	35	-1.0	-51.62	324.50	-4.30	-55.92
COC1=CC2=C(C=C1OC)N(C)C(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)=N2	REAL300025563461	0	43	-1.0	-55.88	365.56	1.16	-54.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=CC(Br)=CC2=N1	REAL300025563462	0	30	-1.0	-46.15	295.08	2.63	-43.52
CNS(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563463	0	40	-1.0	-50.46	336.68	-3.32	-53.78
O=C(NCCC1=NC(=O)O[N-]1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300025563464	0	46	0.0	-61.87	366.44	5.05	-56.82
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563465	0	44	-1.0	-54.02	363.75	1.96	-52.06
CC1=CC=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(Cl)N=C12	REAL300025563466	0	35	-1.0	-50.53	317.31	3.20	-47.33
CS(=O)(=O)C1=NC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025563467	0	31	-1.0	-50.97	298.44	-3.74	-54.71
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(CC(F)F)C1	REAL300025563468	0	38	-1.0	-49.21	306.96	-0.19	-49.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=C1NC(=O)N2	REAL300025563469	0	31	-1.0	-48.18	298.08	-0.85	-49.03
N#CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C(F)=C1	REAL300025563470	0	40	-1.0	-46.17	348.77	2.38	-43.79
NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC(F)(F)F	REAL300025563471	0	33	-1.0	-49.84	303.09	-0.68	-50.52
CC(C)(C)OC(=O)N1CCOCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563472	0	48	-1.0	-44.76	375.14	0.54	-44.22
N#CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C(F)=C1	REAL300025563473	0	43	-1.0	-51.18	368.80	3.41	-47.77
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563474	0	36	-1.0	-50.04	308.31	2.50	-47.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300025563475	0	37	-1.0	-46.64	342.99	3.69	-42.95
CCC1=CC=CC=C1OCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563476	0	40	-1.0	-46.02	339.50	3.35	-42.67
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL300025563477	0	34	-1.0	-45.02	314.77	1.26	-43.76
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1OC	REAL300025563478	0	38	-1.0	-47.81	318.33	1.54	-46.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL300025563479	0	30	-1.0	-44.85	292.08	2.68	-42.17
COCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)C=C1C	REAL300025563480	0	40	-1.0	-57.24	337.44	1.37	-55.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=N1	REAL300025563481	0	30	-1.0	-42.02	286.53	-0.43	-42.45
COC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025563482	0	38	-1.0	-50.30	323.82	2.54	-47.76
CCC1=CC=C2OC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025563483	0	36	-1.0	-51.45	314.88	3.30	-48.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Br)C(Cl)=C1	REAL300025563484	0	27	-1.0	-42.20	285.08	2.66	-39.54
CCOC(=O)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=CC=C21	REAL300025563485	0	43	-1.0	-49.35	372.07	3.85	-45.50
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300025563486	0	49	0.0	-69.24	387.16	6.01	-63.23
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300025563486	1	49	0.0	-59.81	380.89	6.21	-53.60
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(SC2=NC=CC=N2)=N1	REAL300025563487	0	32	-1.0	-48.00	311.57	-1.78	-49.78
COC(=O)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=CC=C21	REAL300025563488	0	40	-1.0	-49.28	350.22	2.93	-46.35
CCN1CCC([NH+]2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025563489	0	54	0.0	-70.19	397.26	2.77	-67.42
CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025563489	1	55	1.0	-129.66	400.37	5.13	-124.53
CC(CN1C=CC2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563490	0	40	-1.0	-44.74	332.73	4.49	-40.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300025563491	0	29	-2.0	-91.67	283.80	-1.15	-92.82
O=C(NCCC1=NC(=O)O[N-]1)C(CO)C1=CC=C(Cl)C=C1	REAL300025563492	0	34	-1.0	-45.71	309.36	0.42	-45.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1N1CCCC1	REAL300025563493	0	42	-1.0	-46.52	357.42	4.17	-42.35
CC(=O)C1=CC(Br)=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563494	0	36	-1.0	-58.27	337.25	4.14	-54.13
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Br)C(=O)N1	REAL300025563495	0	30	-1.0	-44.88	284.59	-0.27	-45.15
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(CC2=CC=CC=C2)O1	REAL300025563496	0	36	-1.0	-47.01	325.75	1.22	-45.79
CC(C)CC1=CC=CC(C(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563497	0	45	-1.0	-46.15	365.06	5.45	-40.70
O=C(NCCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C2=CC=CC=C21	REAL300025563498	0	37	-1.0	-54.25	323.34	0.06	-54.19
CC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=CS1	REAL300025563499	0	36	-1.0	-49.56	327.57	2.94	-46.62
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Br)=C1OC	REAL300025563500	0	35	-1.0	-44.19	326.25	1.52	-42.67
CN(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025563501	0	43	-1.0	-48.68	354.34	1.57	-47.11
CC1=CC(CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)=NO1	REAL300025563502	0	38	-1.0	-48.81	339.59	0.40	-48.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC=C1Br	REAL300025563503	0	24	-1.0	-47.67	252.30	1.07	-46.60
COC1=CC(C)=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563504	0	34	-1.0	-47.90	310.04	3.28	-44.62
COC1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025563505	0	37	-1.0	-49.77	324.10	2.37	-47.40
CCC(C)(C)C1CCC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563506	0	52	-1.0	-45.07	380.09	5.61	-39.46
CC(C)(C)OC(=O)NC1=C(F)C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025567069	0	44	-1.0	-54.84	380.26	2.19	-52.65
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(C(F)(F)F)CC1C(F)(F)F	REAL300025567070	0	39	-1.0	-45.41	342.02	3.35	-42.06
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CCOCC2)ON=C1	REAL300025567071	0	37	-1.0	-43.59	314.29	0.69	-42.90
C[NH+](C)CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567072	0	43	0.0	-75.31	351.45	3.24	-72.07
CP(C)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567073	0	36	-1.0	-55.02	323.35	1.11	-53.91
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)CC1=CC=C(Br)C=C1	REAL300025567074	0	33	-1.0	-40.20	320.87	3.76	-36.44
CC(C)(C)C1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025567075	0	49	-1.0	-50.73	377.48	3.21	-47.52
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(CN2C=C(Br)C=N2)=C1	REAL300025567076	0	34	-1.0	-53.58	332.67	1.97	-51.61
O=C(CC1=C(F)C=CC(F)=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025567077	0	30	-1.0	-46.54	297.02	2.79	-43.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300025567078	0	41	-1.0	-61.34	348.89	1.37	-59.97
CN=S(C)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567079	0	37	-1.0	-55.62	331.47	-1.06	-56.68
CC(C)(C)OC(=O)NOCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567080	0	44	-1.0	-55.47	369.30	0.41	-55.06
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300025567081	0	37	-1.0	-45.24	333.82	2.23	-43.01
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C(C)C(C)C	REAL300025567082	0	42	-1.0	-46.39	343.80	2.75	-43.64
CCCSC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567083	0	37	-1.0	-48.67	326.45	4.20	-44.47
COC1=CC=C2C(=C1)CCCC2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567084	0	41	-1.0	-46.88	334.60	3.30	-43.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300025567085	0	36	-1.0	-45.38	331.59	3.76	-41.62
CCCCSC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567086	0	40	-1.0	-48.63	347.95	4.98	-43.65
CC1=NC=NC2=C1CC(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025567087	0	38	-1.0	-46.57	314.15	2.42	-44.15
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=C(Cl)C=C1Cl	REAL300025567088	0	31	-1.0	-42.50	299.56	1.40	-41.10
O=C(CC1=C(Br)C=CC(Cl)=C1F)NCCC1=NC(=O)O[N-]1	REAL300025567089	0	30	-1.0	-46.08	307.50	3.25	-42.83
O=C(CC1=CC=C(Br)C2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025567090	0	36	-1.0	-48.60	329.03	4.85	-43.75
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=CC=C(Br)C=C12	REAL300025567091	0	30	-1.0	-51.07	293.29	2.50	-48.57
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567092	0	51	-1.0	-47.36	397.11	2.03	-45.33
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(OC(F)(F)F)CC1	REAL300025567093	0	37	-1.0	-47.68	310.95	1.14	-46.54
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567094	0	36	-1.0	-44.58	336.66	4.47	-40.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2O1	REAL300025567095	0	30	-1.0	-42.14	295.80	2.53	-39.61
CC1=C(F)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1I	REAL300025567096	0	30	-1.0	-42.95	293.87	3.20	-39.75
CC(CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1)NC(=O)OC(C)(C)C	REAL300025567097	0	50	-1.0	-52.25	416.74	0.79	-51.46
CC(C)OC1=CC=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567098	0	37	-1.0	-48.36	316.82	3.69	-44.67
COC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)F)=N1	REAL300025567099	0	32	-1.0	-48.64	291.39	-2.87	-51.51
O=C(CC1CCC2(CCCC2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025567100	0	46	-1.0	-45.63	345.70	4.62	-41.01
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1CNC(=O)OC(C)(C)C	REAL300025567101	0	53	-1.0	-47.89	425.73	3.03	-44.86
COC1=CC=C(N2CCCCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567102	0	46	-1.0	-47.83	367.47	3.46	-44.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=N2)S1	REAL300025567103	0	33	-1.0	-46.91	310.58	2.57	-44.34
COC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025567104	0	51	-1.0	-46.42	404.84	1.42	-45.00
O=C(CC1COCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025567105	0	38	-1.0	-47.62	313.27	2.07	-45.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1	REAL300025567106	0	39	-1.0	-56.22	346.08	2.33	-53.89
O=C(C#CC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025567107	0	29	-1.0	-43.55	296.38	3.52	-40.03
CC(C)(C)OC(=O)NCC1CC(CC(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL300025567108	0	51	-1.0	-52.24	409.22	-0.13	-52.37
CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567109	0	53	-1.0	-53.30	427.40	3.15	-50.15
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)CO2)CC1	REAL300025567110	0	55	-1.0	-48.75	426.94	2.66	-46.09
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025567111	0	48	-1.0	-51.52	378.87	2.01	-49.51
O=C(CC1CCCCCC1(F)F)NCCC1=NC(=O)O[N-]1	REAL300025567112	0	39	-1.0	-43.04	305.83	2.91	-40.13
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300025567113	0	43	-1.0	-47.46	376.78	6.74	-40.72
COC(=O)C1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C2C=C1	REAL300025567114	0	36	-1.0	-51.51	324.97	0.87	-50.64
COC(=O)C1=CC=C2NN=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025567114	1	36	-1.0	-53.81	326.93	0.84	-52.97
O=C(NCCC1=NC(=O)O[N-]1)C1CC(F)(F)CN1C(=O)OCC1=CC=CC=C1	REAL300025567115	0	45	-1.0	-57.27	396.67	3.97	-53.30
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL300025567116	0	49	-1.0	-58.63	407.83	2.33	-56.30
CC1=NOC(C(=O)NCCC2=NC(=O)O[N-]2)(C2=CC=CC=C2)C1	REAL300025567117	0	38	-1.0	-45.88	328.15	2.34	-43.54
CC(C)(C)OC(=O)C12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)CO2	REAL300025567118	0	44	-1.0	-46.73	363.72	1.78	-44.95
COC(=O)CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCCCC1	REAL300025567119	0	45	0.0	-53.74	348.74	2.82	-50.92
COC(=O)CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCCCC1	REAL300025567119	1	44	-1.0	-45.95	347.91	1.24	-44.71
CCOC(=O)[C@H]1C[C@@](F)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567120	0	36	-1.0	-47.01	317.79	2.12	-44.89
CCOC(=O)[C@H]1C[C@](F)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567121	0	36	-1.0	-43.49	317.24	2.11	-41.38
CC(C)(C)OC(=O)NCC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567122	0	44	-1.0	-46.80	373.56	-1.65	-48.45
CC(C)(C)OC(=O)N1CCCCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567123	0	50	-1.0	-49.00	383.27	3.43	-45.57
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)NCCC3=NC(=O)O[N-]3)C[C@@H]2C1	REAL300025567124	0	51	-1.0	-51.04	398.97	3.22	-47.82
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025567125	0	48	-1.0	-49.06	382.38	3.24	-45.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300025567126	0	39	-1.0	-55.88	339.93	4.78	-51.10
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=NS1	REAL300025567127	0	43	-1.0	-47.02	377.25	0.12	-46.90
CC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CCS1(=O)=O	REAL300025567128	0	36	-1.0	-54.07	307.98	-1.44	-55.51
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300025567129	0	41	-1.0	-45.37	331.30	5.10	-40.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCNS2(=O)=O)=C1	REAL300025567130	0	41	-1.0	-52.63	356.84	-1.44	-54.07
CC(C1CC1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025567131	0	41	-1.0	-47.39	337.90	2.11	-45.28
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)(C2CCC2)C1	REAL300025567132	0	54	-1.0	-46.92	411.37	4.96	-41.96
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567133	0	44	-1.0	-56.00	360.87	1.43	-54.57
CCC1=CN2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=N1	REAL300025567134	0	40	-1.0	-47.43	331.35	3.01	-44.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300025567135	0	40	-1.0	-47.62	346.10	6.00	-41.62
C[C@@H](C1=CC=C(Cl)C=C1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025567136	0	44	-1.0	-47.84	380.88	4.18	-43.66
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567137	0	51	-1.0	-53.52	405.04	3.30	-50.22
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025567138	0	53	-1.0	-49.99	401.98	3.62	-46.37
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567139	0	51	-1.0	-48.05	396.53	4.27	-43.78
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567140	0	48	-1.0	-52.04	381.04	0.07	-51.97
CC(C)(C)OC(=O)N1[C@@H](C(F)(F)F)CC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567141	0	47	-1.0	-56.76	385.26	3.37	-53.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CN=C2)=N1	REAL300025567142	0	32	-1.0	-45.78	293.60	1.46	-44.32
CC1(C)CC2=CC=CC(CC(=O)NCCC3=NC(=O)O[N-]3)=C2O1	REAL300025567143	0	41	-1.0	-49.64	345.30	3.44	-46.20
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025567144	0	39	-1.0	-55.64	347.50	3.28	-52.36
CN1C=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025567145	0	35	-1.0	-57.95	309.77	2.21	-55.74
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567146	0	47	-1.0	-53.30	376.51	0.94	-52.36
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567147	0	53	-1.0	-47.72	406.12	3.15	-44.57
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC=CCC1	REAL300025567148	0	51	-1.0	-43.76	396.91	2.66	-41.10
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCSCC1	REAL300025567149	0	48	-1.0	-48.45	382.71	2.18	-46.27
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567150	0	48	-1.0	-50.57	386.70	2.88	-47.69
CC(C)(C)OC(=O)N1C2=CC=CC=C2CC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567151	0	51	-1.0	-47.85	407.04	5.39	-42.46
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC[C@@H]12	REAL300025567152	0	57	-1.0	-54.94	413.87	4.66	-50.28
CC(C)(C)OC(=O)NC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)OC2	REAL300025567153	0	46	-1.0	-44.16	376.19	-1.46	-45.62
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567154	0	47	-1.0	-47.45	382.34	0.33	-47.12
CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567154	1	47	-1.0	-48.53	378.91	0.07	-48.46
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025567155	0	44	-1.0	-50.37	368.33	1.90	-48.47
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CCNC(=O)OC(C)(C)C)=N1	REAL300025567156	0	49	-1.0	-49.26	417.42	0.57	-48.69
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567157	0	46	-1.0	-50.58	379.17	0.46	-50.12
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL300025567158	0	51	-1.0	-47.69	405.98	3.37	-44.32
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567159	0	40	-1.0	-46.11	335.45	-0.69	-46.80
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)NCCC3=NC(=O)O[N-]3)CCC[C@H]12	REAL300025567160	0	54	-1.0	-57.41	409.56	3.92	-53.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300025567161	0	27	-1.0	-42.23	282.03	2.60	-39.63
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567162	0	41	-1.0	-59.00	351.88	2.68	-56.32
CC(C)(C)OC(=O)N1CCC(COCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567163	0	54	-1.0	-53.28	428.47	3.60	-49.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300025567164	0	34	-1.0	-46.46	303.22	-1.82	-48.28
CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567165	0	49	-1.0	-52.69	409.16	-2.66	-55.35
CC1CCC(OCCCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567166	0	46	-1.0	-48.27	365.60	3.45	-44.82
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567167	0	41	-1.0	-49.72	351.78	2.69	-47.03
O=C(CC1CC2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025567168	0	38	-1.0	-56.12	321.40	2.52	-53.60
CC1(C)C(=O)NC2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC21	REAL300025567169	0	44	-1.0	-52.67	339.39	-0.07	-52.74
COC1(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)CCOCC1	REAL300025567170	0	44	-1.0	-45.15	357.79	0.24	-44.91
CC(C)(C)OC(=O)NCCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025567171	0	46	-1.0	-49.30	391.95	0.19	-49.11
CN(CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025567172	0	45	-1.0	-48.75	371.52	5.72	-43.03
CN1C=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2C1=O	REAL300025567173	0	35	-1.0	-52.35	309.45	2.24	-50.11
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567174	0	35	-1.0	-43.38	326.38	2.32	-41.06
COC1=CC([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)=C(OC)C=C1C	REAL300025567175	0	45	-1.0	-49.88	373.77	2.96	-46.92
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025567176	0	47	-1.0	-45.27	375.23	1.49	-43.78
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL300025567177	0	49	-1.0	-52.65	407.39	1.82	-50.83
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025567178	0	49	-1.0	-58.57	387.20	0.71	-57.86
CN1N=CC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567179	0	37	-1.0	-48.79	318.54	2.51	-46.28
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(C1)S(=O)(=O)CC2	REAL300025567180	0	37	-1.0	-53.14	303.65	-1.36	-54.50
CC(C)(C)OC(=O)N1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)(C)C1	REAL300025567181	0	56	-1.0	-47.02	419.64	4.29	-42.73
CC(C)(C)OC(=O)NCC12C3C4C1C1C2C3C41C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567182	0	51	-1.0	-48.95	411.91	3.13	-45.82
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567183	0	47	-1.0	-44.51	391.12	1.15	-43.36
O=C(CCC1=C(F)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025567184	0	33	-1.0	-47.08	308.69	3.47	-43.61
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC(Cl)=CC=C21	REAL300025567185	0	34	-1.0	-55.26	314.65	3.73	-51.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCNS2(=O)=O)C=C1	REAL300025567186	0	38	-1.0	-58.58	335.74	-2.36	-60.94
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567187	0	36	-1.0	-50.04	325.76	-2.75	-52.79
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567188	0	49	-1.0	-43.54	391.86	-0.70	-44.24
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567189	0	35	-1.0	-46.12	315.73	0.81	-45.31
CC(C)(C)OC(=O)N1C2=CC=CC=C2C[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567190	0	51	-1.0	-46.67	409.11	5.05	-41.62
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1CNC(=O)OC(C)(C)C	REAL300025567191	0	51	-1.0	-49.28	419.58	1.31	-47.97
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)OC(C)(C)C1	REAL300025567192	0	51	-1.0	-47.64	402.12	2.80	-44.84
CCC1=CC=CC(CC)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567193	0	42	-1.0	-46.23	336.36	4.49	-41.74
O=C(CC1=CC=CC(OCC2CC2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025567194	0	41	-1.0	-49.02	350.96	4.03	-44.99
O=C(NCCC1=NC(=O)O[N-]1)C1CC2(CC(OCC3=CC=CC=C3)C2)C1	REAL300025567195	0	48	-1.0	-47.07	398.71	5.35	-41.72
CC(C)N1C=C(C2CC2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025567196	0	40	-1.0	-47.34	340.50	2.77	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL300025567197	0	34	-1.0	-51.49	307.58	2.10	-49.39
CCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1Br	REAL300025567198	0	30	-1.0	-44.90	305.98	1.14	-43.76
CN1N=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025567199	0	26	-1.0	-44.56	263.20	-1.85	-46.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1	REAL300025567200	0	37	-1.0	-48.58	345.69	4.23	-44.35
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)(C(F)F)CC1	REAL300025567201	0	50	-1.0	-44.93	392.35	3.20	-41.73
CC(C)(C)OC(=O)N1CC2=NC=CN2CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567202	0	51	-1.0	-51.42	407.95	3.34	-48.08
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=CO2	REAL300025567203	0	45	-1.0	-54.35	378.10	1.95	-52.40
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)NCCC3=NC(=O)O[N-]3)C21	REAL300025567204	0	51	-1.0	-50.58	391.49	2.51	-48.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300025567205	0	35	-1.0	-45.78	314.34	4.35	-41.43
O=C(NCCC1=NC(=O)O[N-]1)C1CCOC2(CCCCC2)C1	REAL300025567206	0	44	-1.0	-45.92	334.51	2.55	-43.37
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NCCC1=NC(=O)O[N-]1	REAL300025567207	0	40	-1.0	-46.81	347.18	5.06	-41.75
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC=C21	REAL300025567208	0	39	-1.0	-48.11	325.75	4.87	-43.24
COC1=CC2=CC=CN=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567209	0	36	-1.0	-54.11	311.79	1.65	-52.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300025567210	0	29	-1.0	-43.00	291.69	1.40	-41.60
CCN1N=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025567211	0	29	-1.0	-44.05	285.01	-1.01	-45.06
CC(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL300025567212	0	38	-1.0	-49.15	330.18	2.79	-46.36
CN1C(=O)NC2(CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C1=O	REAL300025567213	0	42	-1.0	-54.67	340.47	-0.78	-55.45
CC1=CC(Br)=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C21	REAL300025567214	0	33	-1.0	-46.20	313.02	1.47	-44.73
CC1=CC=CC=C1C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025567215	0	36	-1.0	-43.29	322.13	3.20	-40.09
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567216	0	49	-1.0	-54.49	391.29	-0.17	-54.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300025567217	0	39	-1.0	-48.61	340.47	4.20	-44.41
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300025567218	0	30	-1.0	-48.15	295.13	2.46	-45.69
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL300025567219	0	39	-1.0	-54.81	319.35	-3.11	-57.92
O=C(NCCC1=NC(=O)O[N-]1)C1=C(I)C=CS1	REAL300025567220	0	24	-1.0	-44.64	258.83	1.63	-43.01
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025567221	0	36	-1.0	-50.43	328.16	2.99	-47.44
COC(=O)C1=NNC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025567222	0	36	-1.0	-56.02	325.00	0.88	-55.14
CC(C)(C)C1CCNC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN21	REAL300025567223	0	45	-1.0	-48.28	352.84	1.89	-46.39
CNC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=NC=CN=C21	REAL300025567224	0	33	-1.0	-46.60	303.69	-2.06	-48.66
CC1=NN=C2SC(C(=O)NCCC3=NC(=O)O[N-]3)=C(N)C2=C1C	REAL300025567225	0	36	-1.0	-46.82	315.62	-0.50	-47.32
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(C)C=C2)=NO1	REAL300025567226	0	39	-1.0	-45.45	344.59	3.89	-41.56
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=C(F)C=C1)C1CC1	REAL300025567227	0	37	-1.0	-45.84	323.58	4.32	-41.52
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567228	0	43	-1.0	-42.56	363.95	-1.99	-44.55
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567229	0	46	-1.0	-42.73	379.06	-1.02	-43.75
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C3OCOC3=C2)=C1	REAL300025567230	0	36	-1.0	-44.90	327.98	1.24	-43.66
CC1=CC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025567231	0	30	-1.0	-41.36	290.35	2.11	-39.25
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567232	0	46	-1.0	-54.50	387.08	-1.51	-56.01
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567233	0	46	-1.0	-53.77	386.94	-1.51	-55.28
CC1=NN(CC(F)(F)F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567234	0	33	-1.0	-45.51	306.55	1.16	-44.35
[N-]=[N+]=NCCCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567235	0	46	-1.0	-47.20	388.54	1.34	-45.86
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Cl)N=C1Cl	REAL300025567236	0	29	-1.0	-41.49	285.61	1.22	-40.27
CC1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(N2C=NN=N2)S1	REAL300025567237	0	35	-1.0	-57.04	325.55	2.03	-55.01
CC12CC3(C)CC(F)(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C2)C3	REAL300025567238	0	47	-1.0	-44.57	354.59	4.49	-40.08
COC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025567239	0	32	-1.0	-48.54	297.37	-2.56	-51.10
O=C(NCCC1=NC(=O)O[N-]1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300025567240	0	32	-1.0	-51.54	312.07	0.95	-50.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCOCC2)C=C1	REAL300025567241	0	43	-1.0	-47.14	352.14	0.63	-46.51
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025567242	0	49	0.0	-64.94	383.21	5.89	-59.05
CC1CN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025567243	0	46	-1.0	-46.83	372.44	1.18	-45.65
CC1C[N@H+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025567243	1	47	0.0	-77.48	369.01	3.61	-73.87
CC1C[N@@H+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025567243	1	47	0.0	-77.66	369.07	3.61	-74.05
CCNC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567244	0	42	-1.0	-51.83	340.08	0.37	-51.46
COC1=CC([C@@H](C)CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025567245	0	43	-1.0	-46.25	352.34	3.49	-42.76
O=C(C=CC1=CC=C2CCOCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025567246	0	39	-1.0	-47.59	331.57	2.81	-44.78
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567247	0	43	-1.0	-46.82	361.06	3.65	-43.17
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025567248	0	43	-1.0	-47.18	363.14	3.78	-43.40
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300025567249	0	41	-1.0	-49.09	356.30	4.79	-44.30
CN(C)C(=O)SC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC2=CC=CC=C21	REAL300025567250	0	44	-1.0	-54.75	383.05	4.35	-50.40
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)N1C=CC(C2CC2)=N1	REAL300025567251	0	40	-1.0	-56.03	334.32	2.96	-53.07
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025567252	0	50	-1.0	-48.77	389.27	2.66	-46.11
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL300025567253	0	55	-1.0	-45.99	411.60	2.01	-43.98
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1	REAL300025567254	0	36	-1.0	-43.86	342.45	0.57	-43.29
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)OCC1(C)C	REAL300025567255	0	51	-1.0	-47.17	398.15	2.37	-44.80
CC(C)(C)OC(=O)C1CC12CCC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025567256	0	49	-1.0	-51.27	392.44	5.21	-46.06
O=C(CCC(=O)C1=CC=C(Br)S1)NCCC1=NC(=O)O[N-]1	REAL300025567257	0	32	-1.0	-44.14	322.06	2.67	-41.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CN=C1N1CCOCC1	REAL300025567258	0	42	-1.0	-44.78	365.42	1.68	-43.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC3=NSN=C3C=C2)C=C1	REAL300025567259	0	42	-1.0	-52.00	378.73	3.16	-48.84
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567260	0	33	-1.0	-47.56	303.84	1.60	-45.96
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CCOCC1	REAL300025567261	0	38	-1.0	-44.46	316.26	1.94	-42.52
CC1=CC=C(C(C(=O)NCCC2=NC(=O)O[N-]2)C2CC2)C=C1	REAL300025567262	0	40	-1.0	-46.19	338.59	4.93	-41.26
CN1C=C(Br)C(OCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025567263	0	31	-1.0	-52.66	304.29	-0.83	-53.49
CC(C)(C)OC(=O)NCCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025567264	0	50	-1.0	-54.04	396.64	1.33	-52.71
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC=CC1	REAL300025567265	0	48	-1.0	-46.27	386.95	1.51	-44.76
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=CC=NC2=C1Cl	REAL300025567266	0	29	-1.0	-53.41	284.06	0.83	-52.58
CC(C)(C)OC(=O)NC(CC1=NC=CC(=O)N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567267	0	49	-1.0	-56.76	403.93	0.24	-56.52
CC(C)(C)OC(=O)NC(CCC1=CNN=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567268	0	50	-1.0	-48.23	406.78	0.03	-48.20
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N2C=CC=CC2=N1	REAL300025567269	0	36	-1.0	-48.41	316.62	3.10	-45.31
CC1=CC(F)=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567270	0	37	-1.0	-44.73	320.95	3.95	-40.78
CC1=CC=C(F)C=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567271	0	37	-1.0	-43.19	318.72	3.89	-39.30
CC(C)(C)OC(=O)NC[C@]1(C(=O)NCCC2=NC(=O)O[N-]2)C[C@@H]1C(F)(F)F	REAL300025567272	0	47	-1.0	-44.84	394.97	1.63	-43.21
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025567273	0	51	-1.0	-46.90	393.39	3.98	-42.92
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C12CC2	REAL300025567274	0	48	-1.0	-52.51	381.65	2.69	-49.82
CC(C)(C)OC(=O)N1CCC2=NC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025567275	0	50	-1.0	-52.96	399.13	2.89	-50.07
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567276	0	47	-1.0	-49.08	386.81	0.96	-48.12
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567277	0	49	-1.0	-45.71	382.43	-0.68	-46.39
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567278	0	53	-1.0	-47.58	410.84	3.26	-44.32
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300025567279	0	36	-1.0	-49.18	322.54	3.91	-45.27
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CN=C2C=C1	REAL300025567280	0	36	-1.0	-50.10	316.43	1.03	-49.07
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567281	0	43	-1.0	-48.45	370.25	4.66	-43.79
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567282	0	47	-1.0	-47.82	387.52	1.03	-46.79
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)OCC12CCC2	REAL300025567283	0	52	-1.0	-47.10	403.69	2.65	-44.45
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCCC3=NC(=O)O[N-]3)C[C@H]12	REAL300025567284	0	45	-1.0	-48.41	372.13	1.01	-47.40
CC(C)(C)OC(=O)NC(CC1=CC(=O)NC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567285	0	50	-1.0	-54.26	401.63	-0.70	-54.96
CC(C)(C)OC(=O)NCC1=C(F)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567286	0	47	-1.0	-53.37	390.10	2.36	-51.01
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C(F)(F)F)S1	REAL300025567287	0	36	-1.0	-43.34	345.49	3.31	-40.03
CCCN(CCC)S(=O)(=O)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567288	0	50	-1.0	-64.93	413.98	4.46	-60.47
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=CC=CN2C(Br)=N1	REAL300025567289	0	30	-1.0	-48.98	293.11	2.61	-46.37
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025567290	0	47	-1.0	-46.20	396.77	1.82	-44.38
CC(C)(C)OC(=O)N1CC2(C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1)OCCO2	REAL300025567291	0	50	-1.0	-55.18	400.88	1.13	-54.05
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025567292	0	51	-1.0	-54.71	395.17	2.84	-51.87
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC2=NC(=O)O[N-]2)C[C@H]1C1=CC=CC=C1	REAL300025567293	0	51	-1.0	-51.88	415.10	3.10	-48.78
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300025567294	0	37	-1.0	-47.74	339.50	4.40	-43.34
CS(=O)(=O)C1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025567295	0	46	-1.0	-55.35	383.47	2.32	-53.03
O=C(CC1=CC=C(Br)C(Cl)=C1F)NCCC1=NC(=O)O[N-]1	REAL300025567296	0	30	-1.0	-49.52	308.92	3.33	-46.19
COCCN1C=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025567297	0	37	-1.0	-58.87	318.76	1.19	-57.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(=O)CCC2=CC=C1	REAL300025567298	0	35	-1.0	-54.73	298.17	1.14	-53.59
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300025567299	0	30	-1.0	-51.19	303.34	1.19	-50.00
CC1=CC=C(F)C=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567301	0	33	-1.0	-41.67	297.86	2.78	-38.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN(C2CCC2)C1=O	REAL300025567302	0	37	-1.0	-54.04	309.51	2.50	-51.54
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300025567303	0	32	-1.0	-57.66	305.92	2.11	-55.55
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300025567304	0	30	-1.0	-42.46	288.53	2.37	-40.09
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300025567305	0	30	-1.0	-45.84	288.42	2.38	-43.46
CCC1=CC=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567306	0	36	-1.0	-42.37	308.73	3.27	-39.10
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NCCC1=NC(=O)O[N-]1	REAL300025567307	0	38	-1.0	-57.71	327.47	2.59	-55.12
CN1C2=C(CCCC1=O)OC=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567308	0	38	-1.0	-53.40	317.34	1.09	-52.31
CC(C1=CC=C(F)C=C1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025567309	0	44	-1.0	-49.00	369.89	4.03	-44.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)N=C2S1	REAL300025567310	0	29	-1.0	-44.76	294.05	1.48	-43.28
COC1=C2NC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025567311	0	38	-1.0	-51.91	329.36	1.56	-50.35
O=C(CC1=CNC2=C(OCC3=CC=CC=C3)C=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025567312	0	48	-1.0	-52.55	411.12	5.54	-47.01
O=C(CC1=CNC2=CC=CC(OCC3=CC=CC=C3)=C12)NCCC1=NC(=O)O[N-]1	REAL300025567313	0	48	-1.0	-52.94	409.74	5.58	-47.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300025567314	0	31	-1.0	-44.35	300.00	2.03	-42.32
COC(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025567315	0	39	-1.0	-50.59	339.45	3.35	-47.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(COCC2)N=C1Cl	REAL300025567316	0	34	-1.0	-48.59	304.96	0.24	-48.35
CC1=C(Br)C(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL300025567317	0	33	-1.0	-54.28	302.17	1.97	-52.31
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1	REAL300025567318	0	37	-1.0	-52.42	341.41	4.25	-48.17
CS(C)(=O)=NC1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567319	0	36	-1.0	-61.64	321.34	-1.85	-63.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC(F)=C2N1	REAL300025567320	0	31	-1.0	-44.47	304.48	2.13	-42.34
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300025567321	0	44	-1.0	-46.54	368.80	5.58	-40.96
COC(=O)C1=CSC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567322	0	33	-1.0	-50.97	314.36	2.01	-48.96
COC(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025567323	0	36	-1.0	-53.22	327.29	2.91	-50.31
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025567324	0	44	-1.0	-49.51	369.95	4.03	-45.48
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CNC(=O)C2)CC1	REAL300025567325	0	41	-1.0	-50.98	325.15	-0.38	-51.36
COC(=O)C1=C2CCCCC2=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025567326	0	40	-1.0	-43.44	347.19	3.71	-39.73
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2CCOCC2)=NO1	REAL300025567327	0	39	-1.0	-54.79	327.30	0.82	-53.97
O=C(NCCC1=NC(=O)O[N-]1)C1CC(CC2=CC=CC=C2)=NO1	REAL300025567328	0	38	-1.0	-55.38	333.88	3.73	-51.65
CC(C)CC1=CC=C2C(N)=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=N1	REAL300025567329	0	43	-1.0	-46.97	369.06	1.96	-45.01
CC(C)(C)OC(=O)N1CC(C(C)(C)C)CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567330	0	59	-1.0	-53.36	436.16	4.99	-48.37
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025567331	0	44	-1.0	-48.90	369.71	4.05	-44.85
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(=O)COC2=CC(Br)=C1	REAL300025567332	0	33	-1.0	-47.94	310.43	-0.21	-48.15
CC1=C(Br)C(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=CN1C1CC1	REAL300025567333	0	37	-1.0	-52.62	330.12	3.41	-49.21
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCCCC2=NNC1=O	REAL300025567334	0	36	-1.0	-45.25	297.99	-0.20	-45.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCNS2(=O)=O)C=C1	REAL300025567335	0	41	-1.0	-57.56	349.20	-1.47	-59.03
CC[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025567336	0	50	-1.0	-54.31	398.54	3.19	-51.12
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCOC1	REAL300025567337	0	51	-1.0	-43.50	397.44	0.23	-43.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)S1	REAL300025567338	0	37	-1.0	-46.20	326.49	0.26	-45.94
O=C(NCCC1=NC(=O)O[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL300025567339	0	32	-1.0	-42.09	292.72	0.11	-41.98
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567340	0	37	-1.0	-47.77	332.45	1.28	-46.49
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567341	0	35	-1.0	-44.13	305.46	3.57	-40.56
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1CC(F)(F)F	REAL300025567342	0	33	-1.0	-48.97	308.28	1.06	-47.91
COCCOC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567343	0	38	-1.0	-47.33	349.55	1.66	-45.67
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC(Cl)=C21	REAL300025567344	0	34	-1.0	-50.91	309.13	3.53	-47.38
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567345	0	36	-1.0	-43.05	320.54	3.23	-39.82
O=C(C=CC1=C(Br)C=CS1)NCCC1=NC(=O)O[N-]1	REAL300025567346	0	28	-1.0	-46.77	287.98	2.38	-44.39
O=C(C=CC1=C(Br)SC=C1)NCCC1=NC(=O)O[N-]1	REAL300025567347	0	28	-1.0	-47.73	287.91	2.35	-45.38
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567348	0	41	-1.0	-43.59	353.83	3.20	-40.39
CCCCCC=CCC=CCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567349	0	64	-1.0	-45.82	512.56	10.63	-35.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CC=N2)=N1	REAL300025567350	0	32	-1.0	-43.29	296.10	0.22	-43.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=CN=CC=C21	REAL300025567351	0	32	-1.0	-46.30	285.53	2.08	-44.22
CN1N=NC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567352	0	36	-1.0	-50.57	312.88	1.31	-49.26
COC1=CC(NC(=O)[C@@H]2C[C@H]2C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025567353	0	49	-1.0	-46.51	404.74	2.39	-44.12
CC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025567354	0	37	-1.0	-54.61	316.19	2.13	-52.48
CCCC(C(=O)NCCC1=NC(=O)O[N-]1)N1SC2=CC=CC=C2C1=O	REAL300025567355	0	42	-1.0	-58.71	366.34	5.25	-53.46
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)N1C=C(I)C=N1	REAL300025567356	0	33	-1.0	-52.20	310.83	1.97	-50.23
CC(C)(C)OC(=O)N1CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567357	0	45	-1.0	-54.90	361.00	2.89	-52.01
CC1=C(F)C=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567358	0	37	-1.0	-46.67	317.59	3.85	-42.82
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CCCC1	REAL300025567359	0	37	-1.0	-44.39	311.41	3.74	-40.65
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=C(F)C=C2F)=C1	REAL300025567360	0	37	-1.0	-48.32	346.46	2.38	-45.94
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CS1)C1CCCCC1	REAL300025567361	0	43	-1.0	-45.15	355.33	5.08	-40.07
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025567362	0	36	-1.0	-46.10	319.88	1.86	-44.24
CCOC(=O)C12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025567363	0	46	-1.0	-47.46	364.24	4.05	-43.41
O=C(CCC1=CC=C2OC=NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025567364	0	35	-1.0	-50.34	311.06	-0.07	-50.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCSC2)N=C1Cl	REAL300025567365	0	34	-1.0	-47.99	314.54	2.41	-45.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC2=C1NCCC2	REAL300025567366	0	36	-1.0	-44.45	314.54	2.50	-41.95
NC1=NC(C2=COC=C2)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567367	0	34	-1.0	-45.66	305.72	-0.26	-45.92
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(F)(F)C1	REAL300025567368	0	44	-1.0	-48.84	370.13	0.52	-48.32
O=C(CC1=CC(Cl)=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025567369	0	30	-1.0	-46.47	305.96	3.33	-43.14
CN1N=C(C(F)(F)F)C=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567370	0	33	-1.0	-51.82	310.29	0.73	-51.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(OC(F)F)=C2O1	REAL300025567371	0	34	-1.0	-45.95	313.81	1.50	-44.45
CCC1=CN2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=N1	REAL300025567372	0	40	-1.0	-47.82	331.47	3.02	-44.80
O=C(CC1CCCC2CCCCC12)NCCC1=NC(=O)O[N-]1	REAL300025567373	0	46	-1.0	-45.14	345.72	4.66	-40.48
COC1=C2C(C(=O)NCCC3=NC(=O)O[N-]3)=CSC2=CC=C1	REAL300025567374	0	34	-1.0	-49.86	303.34	3.58	-46.28
O=C(NCCC1=NC(=O)O[N-]1)C1=C2SC(Br)=CN2C=N1	REAL300025567375	0	27	-1.0	-49.06	285.94	2.60	-46.46
CCOC1=CC=C(Cl)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567376	0	33	-1.0	-48.30	306.74	1.74	-46.56
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CNC2=CC=C(F)C=C12	REAL300025567377	0	33	-1.0	-44.50	302.77	1.49	-43.01
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567378	0	48	-1.0	-52.31	378.52	1.25	-51.06
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CO1)C2	REAL300025567379	0	52	-1.0	-48.29	415.72	0.08	-48.21
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567380	0	48	-1.0	-52.97	380.20	3.21	-49.76
COC1CCN(C(=O)OC(C)(C)C)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567381	0	51	-1.0	-46.09	400.13	1.55	-44.54
CCO[C@@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025567382	0	51	-1.0	-52.22	411.87	1.82	-50.40
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC2CC2C1	REAL300025567383	0	51	-1.0	-43.63	395.49	2.74	-40.89
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025567384	0	47	-1.0	-52.34	396.38	-0.08	-52.42
CC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CN1C(=O)OC(C)(C)C	REAL300025567385	0	47	-1.0	-46.64	376.07	2.27	-44.37
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567386	0	55	-1.0	-50.51	429.83	-0.22	-50.73
CC(C)(C)OC(=O)NCCN1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567386	1	55	-1.0	-50.51	429.83	-0.22	-50.73
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567387	0	45	-1.0	-44.06	372.23	1.10	-42.96
CC(C)(C)C1=CC=C2C(N)=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=N1	REAL300025567388	0	43	-1.0	-46.71	365.44	1.84	-44.87
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(CN2C=CC=N2)=C1	REAL300025567389	0	34	-1.0	-54.73	310.97	1.35	-53.38
COC1=CC=C(Cl)C(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567390	0	31	-1.0	-50.09	298.67	1.29	-48.80
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(S(N)(=O)=O)S1	REAL300025567391	0	32	-1.0	-58.62	303.98	-2.43	-61.05
CC(C)(C)C1CCC(C(O)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567392	0	49	-1.0	-43.02	355.20	2.64	-40.38
COC1=CC(Br)=CC=C1C(=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567393	0	33	-1.0	-41.15	312.45	2.55	-38.60
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1F	REAL300025567394	0	36	-1.0	-50.11	321.54	1.88	-48.23
CN(C)C1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C2O1	REAL300025567395	0	37	-1.0	-57.45	321.92	0.42	-57.03
O=C(NCCC1=NC(=O)O[N-]1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL300025567396	0	40	-1.0	-47.65	345.13	3.20	-44.45
CS(C)(=O)=NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025567397	0	34	-1.0	-62.71	318.68	-1.02	-63.73
O=C(CCC(=O)C1=CC(Br)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025567398	0	32	-1.0	-44.56	321.89	2.56	-42.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CSN=C1C1=CC=CC=C1	REAL300025567400	0	33	-1.0	-46.76	303.38	2.74	-44.02
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300025567401	0	27	-1.0	-41.64	278.31	1.68	-39.96
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567402	0	37	-1.0	-49.58	332.41	0.98	-48.60
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC=C2Cl)[N-]O1	REAL300025567403	0	28	-1.0	-40.92	281.38	0.01	-40.91
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)[N-]O1	REAL300025567404	0	31	-1.0	-40.63	302.05	0.44	-40.19
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)[N-]O1	REAL300025567405	0	31	-1.0	-42.47	287.85	1.01	-41.46
O=C1N=C(CCNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)[N-]O1	REAL300025567406	0	31	-1.0	-40.57	303.39	0.49	-40.08
CC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567407	0	33	-1.0	-43.25	303.44	-0.18	-43.43
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(Cl)=C2)[N-]O1	REAL300025567408	0	28	-1.0	-39.78	285.56	-0.00	-39.78
CC(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567409	0	33	-1.0	-46.55	305.75	-0.09	-46.64
COC(=O)C1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567410	0	34	-1.0	-45.75	307.19	0.93	-44.82
CCOC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567411	0	37	-1.0	-42.79	339.60	1.02	-41.77
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(Cl)=C2Cl)[N-]O1	REAL300025567412	0	28	-1.0	-45.46	279.80	-0.05	-45.51
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025567413	0	34	-1.0	-52.70	318.49	0.18	-52.52
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567414	0	40	-1.0	-42.41	339.18	1.75	-40.66
CC(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567415	0	37	-1.0	-42.32	323.21	1.36	-40.96
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567416	0	39	-1.0	-47.61	358.58	-2.57	-50.18
CC(=O)NCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567417	0	38	-1.0	-47.12	345.17	-1.55	-48.67
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=CC=C2Cl)[N-]O1	REAL300025567418	0	28	-1.0	-43.27	285.11	0.68	-42.59
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)S2)[N-]O1	REAL300025567419	0	25	-1.0	-41.80	271.96	-0.95	-42.75
CCCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567420	0	37	-1.0	-42.30	327.36	1.65	-40.65
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)C=C2Cl)[N-]O1	REAL300025567421	0	28	-1.0	-41.68	285.96	0.10	-41.58
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025567422	0	32	-1.0	-41.43	312.89	-0.60	-42.03
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567423	0	39	-1.0	-50.87	339.84	-1.85	-52.72
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(F)=C2F)[N-]O1	REAL300025567424	0	27	-2.0	-97.15	278.80	-0.77	-97.92
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)[N-]O1	REAL300025567424	1	27	-2.0	-97.15	278.80	-0.77	-97.92
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)[N-]O1	REAL300025567425	0	28	-1.0	-40.28	296.44	0.46	-39.82
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2Cl)[N-]O1	REAL300025567426	0	28	-1.0	-44.25	264.73	-0.51	-44.76
O=C1N=C(CCNS(=O)(=O)C2=CC=C3OCCC3=C2)[N-]O1	REAL300025567427	0	33	-1.0	-43.91	298.90	-0.71	-44.62
CCOC(=O)C1CCCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567428	0	42	-1.0	-42.72	357.54	0.15	-42.57
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=CC=C3CC2)[N-]O1	REAL300025567429	0	36	-1.0	-43.11	317.45	1.83	-41.28
CC1=CC(Cl)=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025567430	0	34	-1.0	-40.36	319.00	1.79	-38.57
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)[N-]O1	REAL300025567431	0	40	-1.0	-46.45	371.99	-2.72	-49.17
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C=C2)[N-]O1	REAL300025567432	0	28	-1.0	-41.04	279.70	-0.05	-41.09
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)C=C2)[N-]O1	REAL300025567433	0	28	-1.0	-41.01	284.27	0.06	-40.95
O=C1N=C(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)[N-]O1	REAL300025567434	0	30	-1.0	-42.62	291.21	0.10	-42.52
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)[N-]O1	REAL300025567435	0	34	-1.0	-44.30	308.92	1.71	-42.59
CC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567436	0	35	-1.0	-46.83	319.33	-1.69	-48.52
O=C1N=C(CCNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025567437	0	30	-1.0	-41.97	291.19	0.10	-41.87
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567438	0	33	-1.0	-48.51	305.90	1.00	-47.51
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567439	0	30	-1.0	-45.88	280.37	0.92	-44.96
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567440	0	35	-1.0	-38.52	319.42	2.15	-36.37
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567441	0	35	-1.0	-42.29	314.32	-0.35	-42.64
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C=C2F)[N-]O1	REAL300025567442	0	28	-1.0	-43.80	267.67	-0.74	-44.54
CC1=CC(C)=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025567443	0	40	-1.0	-42.18	327.25	2.21	-39.97
O=C1N=C(CCNS(=O)(=O)C2=CC=C3OCCOC3=C2)[N-]O1	REAL300025567444	0	34	-1.0	-46.14	307.48	-1.41	-47.55
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025567445	0	37	-1.0	-41.24	307.07	1.46	-39.78
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(F)=C2)[N-]O1	REAL300025567446	0	28	-1.0	-40.10	275.67	-0.45	-40.55
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)OC)=C1	REAL300025567447	0	40	-1.0	-47.75	372.49	0.73	-47.02
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(Br)=C2)[N-]O1	REAL300025567448	0	28	-1.0	-40.60	284.27	0.06	-40.54
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=CC=C2F)[N-]O1	REAL300025567449	0	28	-1.0	-45.91	271.48	-0.29	-46.20
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=CC=C2F)[N-]O1	REAL300025567449	1	28	-1.0	-45.91	271.48	-0.29	-46.20
O=C1N=C(CCNS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)[N-]O1	REAL300025567450	0	30	-2.0	-94.59	296.44	-0.86	-95.45
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)N=C2)[N-]O1	REAL300025567451	0	27	-1.0	-43.84	274.83	-1.94	-45.78
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C=C2F)[N-]O1	REAL300025567452	0	28	-1.0	-43.68	278.00	-0.29	-43.97
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)[N-]O1	REAL300025567453	0	31	-1.0	-39.59	304.62	1.53	-38.06
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025567454	0	31	-1.0	-41.12	302.49	0.61	-40.51
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025567455	0	42	-1.0	-43.57	373.10	2.94	-40.63
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2Br)[N-]O1	REAL300025567456	0	28	-1.0	-42.13	279.42	0.17	-41.96
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)[N-]O1	REAL300025567457	0	32	-1.0	-41.73	308.96	-0.78	-42.51
CC1=C(C)C(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1C	REAL300025567458	0	43	-1.0	-42.41	336.84	2.46	-39.95
O=C1N=C(CCNS(=O)(=O)C2=CC=C3OCCCOC3=C2)[N-]O1	REAL300025567459	0	37	-1.0	-43.19	325.79	-0.62	-43.81
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025567460	0	33	-1.0	-41.90	307.20	0.63	-41.27
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)S2)[N-]O1	REAL300025567461	0	25	-1.0	-41.87	276.59	-0.85	-42.72
COC1=CC=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567462	0	32	-1.0	-40.03	304.80	-0.11	-40.14
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567463	0	46	-1.0	-40.86	361.89	3.12	-37.74
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)[N-]O1	REAL300025567464	0	44	-1.0	-42.19	364.84	3.24	-38.95
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)[N-]O1	REAL300025567465	0	31	-1.0	-41.18	301.70	0.43	-40.75
O=C1N=C(CCNS(=O)(=O)C2=CC=C3CCCCC3=C2)[N-]O1	REAL300025567466	0	38	-1.0	-42.72	325.69	1.91	-40.81
COC1=CC=C(OC)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567467	0	36	-1.0	-42.72	312.96	-1.45	-44.17
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025567468	0	36	-1.0	-43.82	321.71	-1.36	-45.18
O=C(NCC(F)(F)F)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567469	0	38	-1.0	-43.71	360.21	-0.98	-44.69
O=C1N=C(CCNS(=O)(=O)C2=CC=C3CCCC3=C2)[N-]O1	REAL300025567470	0	35	-1.0	-43.52	308.53	1.34	-42.18
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567471	0	44	-1.0	-45.62	378.10	0.36	-45.26
CC(=O)NCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025567472	0	35	-1.0	-48.10	337.29	-2.41	-50.51
COC1=CC=C(C)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567473	0	35	-1.0	-42.43	304.91	-0.07	-42.50
COC1=CC(Cl)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567474	0	32	-1.0	-40.27	300.25	-0.21	-40.48
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(C)=O	REAL300025567475	0	39	-1.0	-48.71	347.07	-2.25	-50.96
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])[N-]O1	REAL300025567476	0	30	-1.0	-41.80	297.11	1.44	-40.36
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567477	0	38	-1.0	-56.79	334.01	-0.76	-57.55
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)SC(Cl)=C2)[N-]O1	REAL300025567478	0	24	-2.0	-94.64	283.58	-0.79	-95.43
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)[N-]O1	REAL300025567478	1	24	-2.0	-94.64	283.58	-0.79	-95.43
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567479	0	33	-1.0	-42.89	301.06	0.73	-42.16
CC(C)CCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567480	0	43	-1.0	-42.17	366.43	2.94	-39.23
CC1=CC=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567481	0	31	-1.0	-43.54	298.99	0.97	-42.57
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC=C2F)[N-]O1	REAL300025567482	0	27	-2.0	-102.37	272.64	-0.82	-103.19
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(F)=CC=C2F)[N-]O1	REAL300025567482	1	27	-2.0	-102.37	272.64	-0.82	-103.19
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)NC3=C2)[N-]O1	REAL300025567483	0	32	-1.0	-46.88	298.74	-3.75	-50.63
CSC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567484	0	32	-1.0	-41.94	303.17	0.45	-41.49
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)[N-]O1	REAL300025567485	0	35	-1.0	-42.74	333.90	0.12	-42.62
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)[N-]O1	REAL300025567486	0	36	-1.0	-44.08	322.78	-1.39	-45.47
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL300025567487	0	33	-2.0	-106.10	307.31	-1.93	-108.03
CN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL300025567487	1	33	-2.0	-106.10	307.31	-1.93	-108.03
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025567488	0	42	-1.0	-45.27	365.42	0.48	-44.79
O=C1N=C(CCNS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)[N-]O1	REAL300025567489	0	33	-1.0	-50.49	311.25	-0.39	-50.88
CCC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567490	0	38	-1.0	-46.54	339.63	-0.86	-47.40
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567491	0	36	-1.0	-52.54	339.59	-4.40	-56.94
N#CC1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567492	0	32	-1.0	-45.02	307.59	0.55	-44.47
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025567493	0	36	-1.0	-47.91	322.90	1.53	-46.38
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567494	0	37	-1.0	-46.47	334.86	1.13	-45.34
CNC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567495	0	35	-1.0	-44.89	319.41	-2.29	-47.18
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567496	0	33	-1.0	-48.71	317.16	-5.61	-54.32
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)[N-]O1	REAL300025567497	0	32	-1.0	-43.50	318.25	-0.44	-43.94
O=C1N=C(CCNS(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)[N-]O1	REAL300025567498	0	39	-1.0	-53.10	340.77	0.56	-52.54
CC(=O)N1CCCC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025567499	0	42	-1.0	-48.79	354.54	0.99	-47.80
NC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567500	0	32	-1.0	-44.77	297.47	-3.79	-48.56
CC(=O)N1CCC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025567501	0	39	-1.0	-54.16	341.90	0.45	-53.71
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567502	0	40	-1.0	-49.08	361.62	1.58	-47.50
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC(F)=C2)[N-]O1	REAL300025567503	0	28	-1.0	-40.83	275.79	-0.43	-41.26
COC(=O)C1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL300025567504	0	31	-1.0	-44.59	301.89	-0.19	-44.78
COCCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567505	0	38	-1.0	-43.01	339.54	-0.06	-43.07
COC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025567506	0	38	-1.0	-42.29	315.07	0.08	-42.21
O=C1N=C(CCNS(=O)(=O)C2=CN(C3CCOC3)N=C2)[N-]O1	REAL300025567956	0	36	-1.0	-45.23	321.01	-2.82	-48.05
O=C(C1CCCC1)N1CCCC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567957	0	48	-1.0	-50.66	383.39	1.04	-49.62
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567958	0	41	-1.0	-44.48	373.74	1.08	-43.40
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567959	0	36	-1.0	-42.31	335.40	1.59	-40.72
CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025567960	0	31	-1.0	-46.64	281.56	-0.16	-46.80
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025567961	0	34	-1.0	-43.59	312.00	-2.96	-46.55
O=C1N=C(CCNS(=O)(=O)C2=CN3CCCCC3=N2)[N-]O1	REAL300025567962	0	35	-1.0	-52.12	308.75	-0.54	-52.66
CC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567963	0	35	-1.0	-46.83	319.33	-1.69	-48.52
CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025567964	0	31	-1.0	-44.30	283.38	0.09	-44.21
CC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025567965	0	33	-1.0	-42.50	320.55	0.47	-42.03
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)NCC(F)(F)F	REAL300025567966	0	39	-1.0	-44.44	367.67	-1.61	-46.05
COCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567967	0	35	-1.0	-43.47	318.04	-0.84	-44.31
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567968	0	37	-1.0	-51.07	351.26	-0.96	-52.03
O=C(NCCC1=NC(=O)O[N-]1)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025567969	0	39	-1.0	-46.92	339.19	6.16	-40.76
O=C1N=C(CCNS(=O)(=O)C2=C3NC(=O)COC3=CC=C2)[N-]O1	REAL300025567970	0	34	-1.0	-44.39	309.57	-3.00	-47.39
COC(=O)C1(C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025567971	0	41	-1.0	-43.88	361.32	2.06	-41.82
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567972	0	37	-1.0	-45.79	346.03	1.08	-44.71
COCC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567973	0	35	-1.0	-42.89	309.33	-0.44	-43.33
O=C1N=C(CCNS(=O)(=O)C2=CC=C3OCCCC3=C2)[N-]O1	REAL300025567974	0	36	-1.0	-43.16	316.67	0.06	-43.10
CC1(C)CN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CCO1	REAL300025567975	0	37	-1.0	-40.93	309.16	-2.37	-43.30
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567976	0	32	-1.0	-50.15	321.84	0.90	-49.25
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)[N-]O1	REAL300025567977	0	37	-1.0	-50.01	329.54	3.19	-46.82
CCC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(C(=O)OC)O1	REAL300025567978	0	37	-1.0	-46.66	342.23	-0.24	-46.90
CC(C)OC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567979	0	38	-1.0	-43.52	332.24	0.28	-43.24
CC1=C(C)SC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567980	0	31	-1.0	-43.35	295.94	-0.18	-43.53
O=C1N=C(CCNS(=O)(=O)C2=CC=C3OCOC3=C2)[N-]O1	REAL300025567981	0	31	-1.0	-42.84	289.03	-1.91	-44.75
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL300025567982	0	36	-1.0	-50.27	316.61	1.19	-49.08
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)[N-]O1	REAL300025567983	0	34	-1.0	-42.50	282.64	2.66	-39.84
CC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025567984	0	41	-1.0	-52.44	357.18	0.84	-51.60
O=C1N=C(CCNS(=O)(=O)CCCN2CCOCC2)[N-]O1	REAL300025567985	0	40	-1.0	-43.91	336.66	-3.58	-47.49
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)[N-]O1	REAL300025567986	0	34	-1.0	-42.70	331.58	-2.49	-45.19
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567987	0	34	-1.0	-42.47	313.60	0.99	-41.48
CC1=CC=C(Br)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567988	0	31	-1.0	-41.98	300.87	0.83	-41.15
CC1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567989	0	31	-1.0	-43.73	286.05	0.16	-43.57
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567990	0	48	-1.0	-45.47	391.18	0.49	-44.98
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(F)C=C2F)[N-]O1	REAL300025567991	0	31	-1.0	-45.83	298.46	0.26	-45.57
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025567992	0	39	-1.0	-44.78	363.39	-2.90	-47.68
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C)O1	REAL300025567993	0	34	-1.0	-47.50	322.60	-1.05	-48.55
O=C1N=C(CCNS(=O)(=O)C2=CN=CC(Cl)=C2)[N-]O1	REAL300025567994	0	27	-1.0	-41.50	274.72	-1.88	-43.38
O=C(C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F)N1CCCC1	REAL300025567995	0	42	-1.0	-52.21	368.87	0.63	-51.58
O=C1N=C(CCNS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)[N-]O1	REAL300025567996	0	31	-1.0	-58.59	300.21	-0.72	-59.31
O=C1N=C(CCNS(=O)(=O)N2CCC3(CC2)OCCO3)[N-]O1	REAL300025567997	0	39	-1.0	-42.42	327.02	-2.50	-44.92
O=C1N=C(CCNS(=O)(=O)C2=CN=C(Cl)C=C2Cl)[N-]O1	REAL300025567998	0	27	-1.0	-39.54	276.94	-1.87	-41.41
O=C1N=C(CC[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)[N-]O1	REAL300025567998	1	26	-2.0	-92.13	286.17	-1.76	-93.89
CCN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N=C1C	REAL300025567999	0	34	-1.0	-46.12	308.52	-0.78	-46.90
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568000	0	30	-1.0	-40.79	302.27	-0.19	-40.98
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568001	0	38	-1.0	-50.90	346.29	-3.99	-54.89
COC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN=C1Cl	REAL300025568002	0	31	-1.0	-40.84	303.83	-2.61	-43.45
CC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568003	0	33	-1.0	-43.25	303.44	-0.18	-43.43
CCN1C(=O)OC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025568004	0	37	-1.0	-50.91	338.91	0.39	-50.52
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)[N-]O1	REAL300025568005	0	43	-1.0	-48.32	376.72	-0.13	-48.45
CC1(C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2)OCCO1	REAL300025568006	0	40	-1.0	-44.25	350.60	-0.21	-44.46
O=C1N=C(CCNS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)[N-]O1	REAL300025568007	0	33	-1.0	-41.35	314.07	-0.06	-41.41
O=C1N=C(CCNS(=O)(=O)C2=CC=C(I)C=C2)[N-]O1	REAL300025568008	0	28	-1.0	-40.79	290.75	0.53	-40.26
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568009	0	36	-1.0	-42.00	321.82	1.50	-40.50
CCC1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568010	0	30	-1.0	-41.81	292.99	-1.99	-43.80
O=C1N=C(CCNS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)[N-]O1	REAL300025568011	0	41	-1.0	-51.81	374.57	0.53	-51.28
CCC1=NOC2=NC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025568012	0	35	-1.0	-48.03	324.20	-2.86	-50.89
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025568013	0	30	-1.0	-45.88	280.37	0.92	-44.96
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025568014	0	25	-1.0	-44.16	267.34	-1.84	-46.00
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025568014	1	24	-2.0	-96.07	265.11	-2.23	-98.30
N#CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025568015	0	38	-1.0	-45.81	317.99	0.34	-45.47
CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025568016	0	40	-1.0	-41.54	312.81	0.95	-40.59
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=CC=C2Cl)[N-]O1	REAL300025568017	0	28	-1.0	-45.20	279.03	0.23	-44.97
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)[N-]O1	REAL300025568017	1	27	-2.0	-107.41	276.79	-0.15	-107.56
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL300025568018	0	30	-1.0	-47.20	281.46	-1.77	-48.97
COC1=CC(C#N)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568019	0	33	-1.0	-41.78	304.27	-0.34	-42.12
O=C1N=C(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)[N-]O1	REAL300025568020	0	35	-1.0	-42.56	320.25	1.12	-41.44
CSC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025568021	0	32	-1.0	-41.04	318.19	0.90	-40.14
O=C1N=C(CCNS(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)[N-]O1	REAL300025568022	0	36	-1.0	-43.40	323.84	2.21	-41.19
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)[N-]O1	REAL300025568023	0	30	-1.0	-44.25	297.69	-1.33	-45.58
COC(=O)C1=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)SC=N1	REAL300025568024	0	29	-2.0	-108.07	295.89	-2.62	-110.69
COC(=O)C1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)SC=N1	REAL300025568024	1	30	-1.0	-48.23	295.95	-2.35	-50.58
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568025	0	34	-1.0	-45.92	324.16	0.15	-45.77
O=C1N=C(CCNS(=O)(=O)CC2=NOC3=CC=CC=C32)[N-]O1	REAL300025568026	0	33	-1.0	-46.80	310.09	-0.50	-47.30
O=C1CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC3=C2N1CCC3	REAL300025568027	0	40	-1.0	-44.93	347.34	0.86	-44.07
COCN1N=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025568028	0	38	-1.0	-43.03	334.47	-2.93	-45.96
O=C(C1CCCC1)N1CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568029	0	42	-1.0	-43.54	353.79	-0.43	-43.97
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568030	0	43	-1.0	-41.26	362.25	0.91	-40.35
O=C(C1=CC=CC=C1)N1CCCC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568031	0	45	-1.0	-51.69	380.22	1.36	-50.33
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)[N-]O1	REAL300025568032	0	35	-1.0	-45.28	327.33	-0.03	-45.31
COC(=O)C1CCCCC1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568033	0	40	-1.0	-44.98	329.10	0.93	-44.05
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025568034	0	29	-1.0	-43.59	285.41	-0.12	-43.71
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568035	0	32	-1.0	-38.37	310.52	-0.06	-38.43
O=C(C1=CC=CC(Cl)=C1)N1CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568036	0	39	-1.0	-43.36	360.46	0.17	-43.19
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1F	REAL300025568038	0	35	-1.0	-43.16	312.17	-0.34	-43.50
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025568039	0	36	-1.0	-48.46	322.18	1.51	-46.95
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(Cl)=C2Br)[N-]O1	REAL300025568040	0	28	-1.0	-41.22	294.29	0.62	-40.60
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568041	0	38	-1.0	-42.48	349.75	2.31	-40.17
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)[N-]O1	REAL300025568042	0	27	-2.0	-99.40	281.81	-0.54	-99.94
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568043	0	38	-1.0	-43.79	321.95	0.99	-42.80
CN(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568044	0	36	-1.0	-43.92	314.09	-0.18	-44.10
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C2O1	REAL300025568045	0	43	-1.0	-45.06	386.67	2.10	-42.96
O=C1N=C(CCNS(=O)(=O)CCC2=CC=CS2)[N-]O1	REAL300025568046	0	31	-1.0	-43.54	298.46	0.04	-43.50
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568047	0	40	-1.0	-49.51	354.27	1.91	-47.60
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)[N-]O1	REAL300025568048	0	28	-1.0	-44.49	286.71	0.04	-44.45
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)[N-]O1	REAL300025568048	1	27	-2.0	-94.88	295.91	0.17	-94.71
CC1=C(Cl)SC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568049	0	28	-1.0	-41.97	291.96	-0.35	-42.32
CN(C)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568050	0	36	-1.0	-43.53	314.51	-0.17	-43.70
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(C(F)F)=C2)[N-]O1	REAL300025568051	0	31	-1.0	-44.37	297.14	0.36	-44.01
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)[N-]O1	REAL300025568052	0	31	-1.0	-43.70	300.00	0.19	-43.51
CC1=CC(Br)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568053	0	31	-1.0	-43.02	305.69	0.71	-42.31
CSC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568054	0	32	-1.0	-42.43	287.33	-0.38	-42.81
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568055	0	39	-1.0	-53.25	339.47	-0.52	-53.77
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)[N-]O1	REAL300025568056	0	40	-1.0	-56.86	353.61	-1.26	-58.12
O=C1N=C(CCNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)[N-]O1	REAL300025568057	0	36	-1.0	-45.11	332.42	0.70	-44.41
COC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025568058	0	38	-1.0	-47.09	353.68	-1.21	-48.30
COC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025568059	0	32	-1.0	-42.71	298.71	-1.19	-43.90
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568060	0	39	-1.0	-46.93	353.09	-0.43	-47.36
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568061	0	42	-1.0	-40.74	363.30	2.87	-37.87
CC(C)C1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568062	0	37	-1.0	-43.11	316.95	1.52	-41.59
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)[N-]O1	REAL300025568063	0	42	-1.0	-39.15	360.56	3.94	-35.21
COC(=O)C1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=CS1	REAL300025568064	0	34	-1.0	-43.96	317.78	0.69	-43.27
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568065	0	40	0.0	-66.91	341.40	1.34	-65.57
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568066	0	36	-1.0	-47.07	335.19	1.61	-45.46
CN1N=CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025568067	0	33	-1.0	-44.16	307.33	-1.44	-45.60
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=CC=C3OCC2)[N-]O1	REAL300025568068	0	37	-1.0	-44.10	325.03	0.86	-43.24
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025568069	0	55	-1.0	-45.39	450.31	4.04	-41.35
COC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568070	0	36	-1.0	-44.59	330.15	-2.35	-46.94
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)[N-]O1	REAL300025568072	0	31	-1.0	-39.92	318.45	0.94	-38.98
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568073	0	39	-1.0	-52.32	331.60	-2.49	-54.81
COCN1N=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568074	0	32	-1.0	-44.94	290.95	-4.59	-49.53
COC1=C(F)C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025568075	0	34	-1.0	-41.96	326.45	0.26	-41.70
COC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025568076	0	38	-1.0	-47.09	353.68	-1.21	-48.30
O=C1N=C(CCNS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)[N-]O1	REAL300025568077	0	39	-1.0	-49.04	361.88	1.25	-47.79
N#CC1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568078	0	29	-1.0	-42.35	285.42	-0.12	-42.47
CC1=NC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025568079	0	30	-1.0	-47.68	293.32	-2.16	-49.84
O=C1N=C(CCNS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)[N-]O1	REAL300025568080	0	31	-1.0	-45.49	306.94	-1.51	-47.00
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)[N-]O1	REAL300025568081	0	34	-1.0	-42.86	330.16	2.31	-40.55
COC(=O)CCCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568082	0	39	-1.0	-47.39	346.78	0.30	-47.09
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(Cl)C(F)=C2)[N-]O1	REAL300025568083	0	31	-1.0	-44.88	309.33	0.73	-44.15
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025568084	0	38	-1.0	-44.05	338.21	-0.08	-44.13
COC1=CC=C(CCS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568085	0	38	-1.0	-44.49	337.74	0.25	-44.24
O=C1N=C(CCNS(=O)(=O)C2=CN(CC(F)F)N=C2)[N-]O1	REAL300025568086	0	31	-1.0	-49.24	300.91	-1.67	-50.91
O=C1N=C(CCNS(=O)(=O)CCC2=CC=C3OCCC3=C2)[N-]O1	REAL300025568087	0	39	-1.0	-45.23	344.13	0.78	-44.45
O=C1N=C(CCNS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)[N-]O1	REAL300025568088	0	27	-1.0	-41.00	284.14	-0.82	-41.82
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568089	0	46	0.0	-62.71	380.36	0.66	-62.05
COC1=CC=CC(OC)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568090	0	36	-1.0	-47.08	316.95	-0.05	-47.13
CCC1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568091	0	37	-1.0	-43.98	329.62	1.60	-42.38
O=C1N=C(CCNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025568092	0	30	-1.0	-41.97	291.19	0.10	-41.87
COC1=CC(Br)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568093	0	32	-1.0	-42.57	313.78	-0.65	-43.22
CCOC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL300025568094	0	38	-1.0	-44.43	346.01	0.46	-43.97
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)C=C2F)[N-]O1	REAL300025568095	0	28	-1.0	-43.61	282.57	-0.19	-43.80
CC(C)(C)OC(=O)N1CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568096	0	42	-1.0	-46.40	359.67	-1.25	-47.65
CC1=CC=CC(F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568097	0	31	-1.0	-41.79	277.27	0.18	-41.61
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568098	0	42	-1.0	-41.71	369.79	1.93	-39.78
CC1=CC(Br)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568099	0	31	-1.0	-41.51	298.99	0.95	-40.56
O=C1N=C(CCNS(=O)(=O)C2=CNC3=CC=CC(F)=C23)[N-]O1	REAL300025568100	0	32	-1.0	-46.95	301.43	-0.51	-47.46
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568101	0	41	-1.0	-41.41	352.99	0.95	-40.46
CC1=CC=NC2=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=CC=C12	REAL300025568102	0	36	-1.0	-47.99	313.15	1.11	-46.88
CC1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568103	0	34	-1.0	-43.56	313.46	0.86	-42.70
COC1=CC=C(Br)C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568104	0	35	-1.0	-45.29	332.92	0.02	-45.27
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=NSN=C32)[N-]O1	REAL300025568105	0	29	-1.0	-47.38	281.32	-2.17	-49.55
COC1=CN=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568106	0	31	-1.0	-43.97	287.55	-3.10	-47.07
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(Br)=C2F)[N-]O1	REAL300025568107	0	28	-1.0	-47.36	281.83	-0.20	-47.56
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025568108	0	38	-1.0	-46.56	345.07	0.14	-46.42
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568109	0	32	-1.0	-45.54	318.80	-3.17	-48.71
COCCN(CCC#N)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568110	0	37	-1.0	-46.55	327.25	-2.12	-48.67
N#CC1CN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CCO1	REAL300025568111	0	32	-1.0	-42.54	292.72	-3.34	-45.88
CCN(CC(C)C#N)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568112	0	36	-1.0	-44.54	313.67	-0.49	-45.03
CC1=CC2=C(C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1)OCO2	REAL300025568113	0	34	-1.0	-45.17	303.67	-1.01	-46.18
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568114	0	34	-1.0	-50.89	305.10	0.55	-50.34
O=C1N=C(CC[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)[N-]O1	REAL300025568115	0	29	-2.0	-93.93	310.63	0.28	-93.65
O=C1N=C(CCNS(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)[N-]O1	REAL300025568115	1	30	-1.0	-41.08	305.67	0.36	-40.72
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568116	0	26	-1.0	-43.34	275.48	-1.02	-44.36
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)[N-]O1	REAL300025568117	0	30	-1.0	-41.42	301.94	0.24	-41.18
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)[N-]O1	REAL300025568117	1	29	-2.0	-90.00	306.90	0.16	-89.84
CC1=CC=C(CCS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568118	0	37	-1.0	-43.54	329.64	1.62	-41.92
CN(C)C(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568119	0	38	-1.0	-45.71	332.23	-0.88	-46.59
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568120	0	37	-1.0	-45.54	329.05	1.85	-43.69
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568121	0	36	-1.0	-51.48	308.83	-3.63	-55.11
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)[N-]O1	REAL300025568122	0	34	-1.0	-46.08	312.76	0.48	-45.60
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C=C2Cl)[N-]O1	REAL300025568123	0	28	-1.0	-41.77	281.39	-0.00	-41.77
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568124	0	34	-1.0	-39.52	292.02	0.88	-38.64
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC=C2Br)[N-]O1	REAL300025568125	0	28	-1.0	-41.20	296.17	0.69	-40.51
COC1=CC2=C(C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1)OCC(=O)N2	REAL300025568126	0	38	-1.0	-43.05	334.16	-3.50	-46.55
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC(Cl)=C2)[N-]O1	REAL300025568127	0	31	-1.0	-44.74	303.46	0.67	-44.07
CC(=O)NC1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568128	0	31	-1.0	-48.58	307.93	-3.07	-51.65
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568128	1	30	-2.0	-90.92	304.65	-4.20	-95.12
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC(Br)=C2)[N-]O1	REAL300025568129	0	31	-1.0	-44.67	308.03	0.77	-43.90
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568130	0	32	-1.0	-45.72	314.23	-3.28	-49.00
N#CCC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568131	0	32	-1.0	-48.94	295.42	0.80	-48.14
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025568132	0	39	-1.0	-48.86	354.84	-3.60	-52.46
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C2S1	REAL300025568133	0	40	-1.0	-46.37	377.61	2.48	-43.89
N#CCC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568134	0	32	-1.0	-48.19	305.22	0.60	-47.59
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)[N-]O1	REAL300025568135	0	34	-1.0	-51.01	318.12	-1.06	-52.07
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025568136	0	33	-1.0	-54.16	319.75	-4.96	-59.12
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=CC=C12	REAL300025568137	0	42	-1.0	-44.08	357.40	1.64	-42.44
COC1=CC=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568138	0	35	-1.0	-46.08	307.17	-0.36	-46.44
COC(=O)C1=CN=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568139	0	33	-1.0	-43.61	312.93	-1.72	-45.33
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025568140	0	29	-1.0	-40.81	303.48	0.33	-40.48
O=C1N=C(CCNS(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)[N-]O1	REAL300025568141	0	30	-1.0	-38.53	305.30	0.53	-38.00
O=C1N=C(CC[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)[N-]O1	REAL300025568141	1	29	-2.0	-91.66	314.54	0.66	-91.00
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)[N-]O1	REAL300025568142	0	28	-1.0	-39.65	291.50	0.75	-38.90
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)[N-]O1	REAL300025568142	1	27	-2.0	-95.04	290.75	0.43	-94.61
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C=C2Br)[N-]O1	REAL300025568143	0	28	-1.0	-39.73	296.17	0.68	-39.05
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025568144	0	32	-1.0	-41.80	308.91	-0.53	-42.33
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568145	0	32	-1.0	-40.11	300.23	-0.21	-40.32
O=C1N=C(CCNS(=O)(=O)C2=CNC(C(F)(F)F)=C2)[N-]O1	REAL300025568146	0	29	-1.0	-41.37	290.47	-1.80	-43.17
O=C1N=C(CCNS(=O)(=O)CCC2CC3=CC=CC=C3C2)[N-]O1	REAL300025568147	0	41	-1.0	-44.08	351.73	2.73	-41.35
CC(C)(C)C1=CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025568148	0	39	-1.0	-44.67	344.85	0.16	-44.51
COC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025568149	0	35	-1.0	-45.48	324.04	0.07	-45.41
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568150	0	34	-1.0	-41.88	336.89	0.07	-41.81
CC(C)(C)OC(=O)N1CCN(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568151	0	46	-1.0	-48.20	363.68	2.10	-46.10
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568152	0	34	-1.0	-43.23	322.29	0.12	-43.11
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568153	0	34	-1.0	-48.13	315.98	-0.15	-48.28
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568154	0	36	-1.0	-46.79	327.65	0.77	-46.02
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025568155	0	31	-1.0	-43.62	290.15	-3.89	-47.51
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C#N	REAL300025568156	0	32	-1.0	-42.32	302.95	0.32	-42.00
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568157	0	31	-1.0	-42.51	304.76	1.01	-41.50
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=CC=C3N=C2)[N-]O1	REAL300025568158	0	33	-1.0	-47.79	304.18	-0.20	-47.99
CC1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568159	0	34	-1.0	-47.24	313.46	0.86	-46.38
CN(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025568160	0	35	-1.0	-46.36	312.30	-0.86	-47.22
CC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568161	0	35	-1.0	-47.87	324.15	-1.54	-49.41
COC1=CC(Cl)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025568162	0	36	-1.0	-43.29	323.33	-1.31	-44.60
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)[N-]O1	REAL300025568163	0	32	-1.0	-43.75	308.44	-0.92	-44.67
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)[N-]O1	REAL300025568164	0	31	-1.0	-43.43	307.29	0.49	-42.94
O=C(NCCC1=NC(=O)O[N-]1)N1CCC(CC2=CC=CC=C2)CC1	REAL300025568165	0	45	-1.0	-46.38	359.05	5.57	-40.81
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)[N-]O1	REAL300025568166	0	28	-1.0	-39.56	299.10	0.51	-39.05
O=C1N=C(CCNS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)[N-]O1	REAL300025568167	0	39	-1.0	-44.11	359.48	-0.74	-44.85
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568168	0	32	-1.0	-46.82	290.74	-1.51	-48.33
CC1=CC=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025568169	0	36	-1.0	-44.63	319.16	2.40	-42.23
O=C1N=C(CCNS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)[N-]O1	REAL300025568170	0	34	-1.0	-43.55	323.96	1.21	-42.34
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568171	0	38	-1.0	-42.48	349.75	2.31	-40.17
O=C1N=C(CCNS(=O)(=O)C2=CN=C(Cl)C(F)=C2)[N-]O1	REAL300025568172	0	27	-1.0	-40.93	280.72	-1.88	-42.81
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=CC=C3OC2)[N-]O1	REAL300025568173	0	34	-1.0	-43.39	308.66	-0.06	-43.45
CNC(=O)C1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568174	0	38	-1.0	-50.68	343.21	-1.56	-52.24
O=C1N=C(CCNS(=O)(=O)CC2CCCC(F)(F)C2)[N-]O1	REAL300025568175	0	37	-1.0	-45.54	316.80	0.69	-44.85
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)[N-]O1	REAL300025568176	0	32	-1.0	-44.46	310.74	0.31	-44.15
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)F)C=C2)[N-]O1	REAL300025568177	0	31	-1.0	-43.42	295.16	0.30	-43.12
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)[N-]O1	REAL300025568178	0	38	-1.0	-43.43	337.19	2.85	-40.58
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568179	0	37	-1.0	-44.96	337.84	0.76	-44.20
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC=C2Br)[N-]O1	REAL300025568180	0	31	-1.0	-43.06	303.54	0.71	-42.35
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL300025568181	0	40	-1.0	-43.68	364.99	0.63	-43.05
CC(COC1CCCC1)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568182	0	44	-1.0	-42.64	363.80	0.80	-41.84
CC1=C(CCS(=O)(=O)NCCC2=NC(=O)O[N-]2)SC=N1	REAL300025568183	0	33	-1.0	-44.23	312.21	-1.32	-45.55
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568184	0	42	-1.0	-47.27	382.12	-2.78	-50.05
O=C1N=C(CCNS(=O)(=O)CCC2=CC=CC(Cl)=C2)[N-]O1	REAL300025568185	0	34	-1.0	-42.77	324.97	1.46	-41.31
O=C1N=C(CCNS(=O)(=O)CCCOCC2=CC=CC=C2)[N-]O1	REAL300025568186	0	41	-1.0	-45.38	363.76	1.00	-44.38
O=C(OCC1=CC=CC=C1)N1CCC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568187	0	46	-1.0	-52.96	396.25	1.21	-51.75
CCOC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(F)C=C1Cl	REAL300025568188	0	37	-1.0	-42.41	350.39	1.17	-41.24
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(F)C=C1Cl	REAL300025568188	1	36	-2.0	-96.80	355.35	1.09	-95.71
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)[N-]O1	REAL300025568189	0	30	-1.0	-47.32	309.04	1.21	-46.11
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)[N-]O1	REAL300025568189	1	29	-2.0	-98.77	308.29	0.89	-97.88
O=C1N=C(CCNS(=O)(=O)CC2CCC(F)(F)C2)[N-]O1	REAL300025568190	0	34	-1.0	-42.85	302.77	0.04	-42.81
O=C1N=C(CCNS(=O)(=O)CC2CCCS(=O)(=O)C2)[N-]O1	REAL300025568191	0	37	-1.0	-49.43	324.12	-3.39	-52.82
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568192	0	35	-2.0	-101.87	328.97	0.57	-101.30
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025568193	0	39	-1.0	-45.71	358.35	-0.78	-46.49
CCOC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(F)C=C1C	REAL300025568194	0	40	-1.0	-43.28	353.90	1.31	-41.97
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568195	0	42	-1.0	-47.77	374.52	-2.37	-50.14
COCC1=CC=C(OC)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568196	0	39	-1.0	-43.27	338.57	-1.01	-44.28
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC=C2F)[N-]O1	REAL300025568197	0	28	-1.0	-42.69	277.97	-0.29	-42.98
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)[N-]O1	REAL300025568197	1	27	-2.0	-102.37	282.97	-0.37	-102.74
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2CC1	REAL300025568198	0	45	-1.0	-47.85	374.77	1.34	-46.51
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025568199	0	37	-1.0	-42.68	347.93	0.90	-41.78
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025568200	0	38	-1.0	-42.61	356.72	1.06	-41.55
CCCC1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568201	0	37	-1.0	-43.19	329.04	1.70	-41.49
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568202	0	37	-1.0	-42.96	324.86	1.41	-41.55
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)[N-]O1	REAL300025568203	0	31	-1.0	-41.07	304.62	1.52	-39.55
O=C1N=C(CCNS(=O)(=O)C2=CSC3=CC=CC=C23)[N-]O1	REAL300025568204	0	31	-1.0	-42.31	289.01	0.32	-41.99
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568205	0	40	-1.0	-47.27	361.80	1.80	-45.47
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568206	0	34	-1.0	-42.24	339.81	2.02	-40.22
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568206	1	33	-2.0	-106.24	338.13	1.66	-104.58
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568207	0	41	-1.0	-43.10	360.02	0.85	-42.25
CCOC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025568208	0	40	-1.0	-42.29	355.68	1.54	-40.75
CN(C(=O)NCCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C1	REAL300025568209	0	35	-1.0	-55.01	300.55	-1.99	-57.00
CC1(C)CC2=CC=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=C2O1	REAL300025568210	0	39	-1.0	-45.62	334.28	0.68	-44.94
N#CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025568211	0	32	-1.0	-46.55	319.63	0.61	-45.94
COCCOCCOCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568212	0	42	-1.0	-46.31	371.46	-3.25	-49.56
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568213	0	38	-1.0	-48.65	344.18	-3.21	-51.86
CCOC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568214	0	35	-1.0	-42.81	314.33	-0.34	-43.15
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=C2OCO3)[N-]O1	REAL300025568215	0	31	-1.0	-44.63	283.32	-2.01	-46.64
N#CC1=C(Br)C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568216	0	29	-1.0	-52.21	288.01	-0.26	-52.47
N#CC1=CC=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568217	0	29	-1.0	-46.83	289.59	-0.14	-46.97
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568218	0	34	-1.0	-41.64	316.77	1.35	-40.29
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)[N-]O1	REAL300025568219	0	27	-2.0	-103.60	283.10	-0.09	-103.69
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=CC(F)=C2F)[N-]O1	REAL300025568219	1	28	-1.0	-46.22	285.34	0.28	-45.94
CCS(=O)(CC)=NS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568220	0	34	-1.0	-59.03	307.42	-2.98	-62.01
CCS(=O)(CC)=NS(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568220	1	33	-2.0	-127.97	305.14	-3.35	-131.32
O=C1N=C(CCNS(=O)(=O)CCC[NH+]2CCCC2)[N-]O1	REAL300025568221	0	40	0.0	-63.67	332.24	0.41	-63.26
C[NH+]1CCN(CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568222	0	45	0.0	-65.88	364.78	-1.34	-67.22
CN1CCN(CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568222	1	44	-1.0	-43.46	360.72	-3.84	-47.30
O=C1N=C(CCNS(=O)(=O)CCC2CCCCC2)[N-]O1	REAL300025568223	0	40	-1.0	-42.34	329.01	1.11	-41.23
O=C1N=C(CCNS(=O)(=O)CC2=C(F)C=CC=C2Cl)[N-]O1	REAL300025568224	0	31	-1.0	-45.18	305.53	0.63	-44.55
CC1=CC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025568225	0	37	-1.0	-44.35	330.26	2.36	-41.99
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=CS2)[N-]O1	REAL300025568226	0	25	-1.0	-42.39	266.80	-1.25	-43.64
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CS2)[N-]O1	REAL300025568226	1	24	-2.0	-101.84	268.71	-1.48	-103.32
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568227	0	37	-1.0	-45.40	346.26	1.41	-43.99
O=C(COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1)NC1CC1	REAL300025568228	0	43	-1.0	-48.28	384.58	-0.01	-48.29
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568229	0	41	-1.0	-45.82	359.43	-0.21	-46.03
N#CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568230	0	31	-1.0	-46.51	296.47	-0.09	-46.60
COC1=NC=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568231	0	31	-1.0	-40.32	302.68	-2.75	-43.07
O=C1N=C(CCNS(=O)(=O)C2=C3OC=CC3=CC=C2)[N-]O1	REAL300025568232	0	31	-1.0	-45.60	285.08	-0.37	-45.97
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C(C)C)=C1	REAL300025568233	0	55	-1.0	-40.96	424.44	5.50	-35.46
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)[N-]O1	REAL300025568234	0	33	-1.0	-43.53	309.74	0.99	-42.54
COC1=CC=C(O)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568235	0	33	-1.0	-45.64	301.98	-3.57	-49.21
COC1=CC=C([O-])C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568235	1	32	-2.0	-102.02	290.93	-2.67	-104.69
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)N=C2F)[N-]O1	REAL300025568236	0	27	-1.0	-48.30	262.74	-2.79	-51.09
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(F)N=C2F)[N-]O1	REAL300025568236	1	26	-2.0	-96.54	267.65	-2.84	-99.38
COC(=O)C1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568237	0	34	-1.0	-48.52	313.76	-0.72	-49.24
CC(C)OC1=CN=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568238	0	37	-1.0	-43.21	327.43	-1.52	-44.73
CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1(Cl)Cl	REAL300025568239	0	31	-1.0	-42.45	304.71	0.27	-42.18
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568240	0	35	-1.0	-42.15	331.21	-0.27	-42.42
CCOC(=O)C1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568241	0	40	-1.0	-46.56	363.40	1.75	-44.81
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(Br)C(F)=C2)[N-]O1	REAL300025568242	0	31	-1.0	-44.75	313.75	0.82	-43.93
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568243	0	37	-1.0	-54.70	347.43	-2.33	-57.03
CC(C)OC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025568244	0	37	-1.0	-42.09	332.15	-2.01	-44.10
COC1=CC=C2C=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)CCC2=C1	REAL300025568245	0	40	-1.0	-43.41	346.91	1.13	-42.28
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC3CC3)C=C2)[N-]O1	REAL300025568246	0	36	-1.0	-43.90	323.51	0.40	-43.50
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)[N-]O1	REAL300025568247	0	31	-1.0	-44.90	299.16	-0.12	-45.02
O=C1N=C(CC[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)[N-]O1	REAL300025568247	1	30	-2.0	-98.65	296.92	-0.48	-99.13
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)[N-]O1	REAL300025568248	0	31	-1.0	-43.66	314.27	1.49	-42.17
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)[N-]O1	REAL300025568248	1	30	-2.0	-104.87	312.03	1.10	-103.77
COC(=O)C1=NC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568249	0	33	-1.0	-45.73	303.01	-0.86	-46.59
O=C(NCCS(=O)(=O)NCCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025568250	0	42	-1.0	-47.90	380.22	-1.13	-49.03
O=C1N=C(CCNS(=O)(=O)CC23CCC(CC2)C3)[N-]O1	REAL300025568251	0	38	-1.0	-42.30	311.52	0.84	-41.46
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])[N-]O1	REAL300025568252	0	30	-1.0	-39.55	303.09	1.48	-38.07
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])[N-]O1	REAL300025568252	1	29	-2.0	-97.72	304.41	1.26	-96.46
O=C1N=C(CCNS(=O)(=O)C2=CSN=C2C2=CC=CC=C2)[N-]O1	REAL300025568253	0	34	-1.0	-45.55	318.13	0.62	-44.93
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)[N-]O1	REAL300025568254	0	30	-1.0	-45.72	300.35	-1.29	-47.01
O=C1N=C(CCNS(=O)(=O)N=S2(=O)CCCC2)[N-]O1	REAL300025568255	0	32	-1.0	-54.34	294.19	-3.29	-57.63
O=C1N=C(CC[N-]S(=O)(=O)N=S2(=O)CCCC2)[N-]O1	REAL300025568255	1	31	-2.0	-128.85	291.91	-3.66	-132.51
O=C1N=C(CCNS(=O)(=O)CC23CCC(CC2)CC3)[N-]O1	REAL300025568256	0	41	-1.0	-41.94	320.40	1.46	-40.48
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C3CC3)C=C2)[N-]O1	REAL300025568257	0	35	-1.0	-42.56	312.20	1.54	-41.02
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568258	0	37	-1.0	-45.84	356.35	1.52	-44.32
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(C(F)F)C=C2)[N-]O1	REAL300025568259	0	34	-1.0	-46.56	320.90	1.09	-45.47
CC1=CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C2NC1=O	REAL300025568260	0	37	-1.0	-46.20	334.03	-0.83	-47.03
O=C1N=C(CCNS(=O)(=O)C2=CC=CN=C2OCC(F)F)[N-]O1	REAL300025568261	0	34	-1.0	-47.28	323.62	-2.13	-49.41
N#CC1=CC(F)=CC=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568262	0	32	-1.0	-50.44	311.52	0.44	-50.00
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025568263	0	31	-1.0	-43.80	302.45	-1.61	-45.41
CN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025568263	1	30	-2.0	-101.64	299.37	-2.10	-103.74
O=C1N=C(CCNS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)[N-]O1	REAL300025568264	0	37	-1.0	-47.40	327.81	1.03	-46.37
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568265	0	29	-1.0	-41.56	289.69	-0.14	-41.70
O=C1N=C(CCNS(=O)(=O)CC2CCCCC2(F)F)[N-]O1	REAL300025568266	0	37	-1.0	-43.09	316.04	0.59	-42.50
COC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025568267	0	38	-1.0	-43.25	338.36	0.49	-42.76
COC(=O)C1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025568268	0	43	-1.0	-45.24	349.18	0.93	-44.31
O=C1N=C(CCNS(=O)(=O)CCC2=CC=CC=C2Br)[N-]O1	REAL300025568269	0	34	-1.0	-45.15	324.42	1.38	-43.77
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(F)C=C1[N+](=O)[O-]	REAL300025568270	0	33	-1.0	-44.83	305.45	0.37	-44.46
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)[N-]O1	REAL300025568271	0	29	-1.0	-49.37	290.76	-1.32	-50.69
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)[N-]O1	REAL300025568272	0	32	-1.0	-47.79	307.03	-1.01	-48.80
CC1=CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N=C1Cl	REAL300025568273	0	36	-1.0	-46.31	339.44	0.82	-45.49
O=C1N=C(CCNS(=O)(=O)CC2CC3CCC2C3)[N-]O1	REAL300025568274	0	38	-1.0	-42.47	307.85	0.80	-41.67
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(F)C=C1C	REAL300025568275	0	37	-1.0	-43.62	332.00	0.38	-43.24
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)S2)[N-]O1	REAL300025568276	0	28	-1.0	-42.42	295.55	-0.38	-42.80
COC(=O)C1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025568277	0	37	-1.0	-45.78	321.51	-0.14	-45.92
O=C1N=C(CCNS(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)[N-]O1	REAL300025568278	0	38	-1.0	-45.88	347.28	0.15	-45.73
O=C1N=C(CCNS(=O)(=O)C2=C3N=CSC3=CC=C2)[N-]O1	REAL300025568279	0	30	-1.0	-46.08	287.32	-0.81	-46.89
O=C1N=C(CCNS(=O)(=O)C2=C3OCCCN3N=C2)[N-]O1	REAL300025568280	0	33	-1.0	-43.72	295.92	-3.64	-47.36
COC1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568281	0	28	-1.0	-42.25	282.31	-5.10	-47.35
O=C1N=C(CCNS(=O)(=O)CCOCC2=CC=CC=C2)[N-]O1	REAL300025568282	0	38	-1.0	-44.48	342.26	0.21	-44.27
O=C1N=C(CCNS(=O)(=O)CCC2CCOCC2)[N-]O1	REAL300025568283	0	38	-1.0	-43.86	320.15	-1.28	-45.14
O=C1N=C(CCNS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)[N-]O1	REAL300025568284	0	44	-1.0	-50.96	396.08	1.32	-49.64
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568285	0	31	-1.0	-43.36	288.98	-0.26	-43.62
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN=C1C	REAL300025568286	0	36	-1.0	-42.72	329.23	-1.22	-43.94
O=C1N=C(CCNS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025568287	0	29	-1.0	-41.14	286.35	-1.71	-42.85
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568288	0	40	-1.0	-49.74	366.64	-1.35	-51.09
O=C1N=C(CCNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])[N-]O1	REAL300025568289	0	31	-2.0	-94.54	300.19	-0.96	-95.50
O=C1N=C(CCNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)[N-]O1	REAL300025568289	1	32	-1.0	-41.00	303.67	-1.82	-42.82
O=C1N=C(CCNS(=O)(=O)C2CCC(C(F)(F)F)CC2)[N-]O1	REAL300025568290	0	37	-1.0	-43.23	313.62	1.03	-42.20
CCOC(=O)CC1(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568291	0	37	-1.0	-45.01	319.87	0.58	-44.43
N#CC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025568292	0	29	-1.0	-41.34	301.67	0.09	-41.25
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C=C1Br	REAL300025568292	1	28	-2.0	-93.48	306.69	0.01	-93.47
CC1=NC(Cl)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568293	0	30	-1.0	-41.75	289.80	-1.06	-42.81
CC1=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Br)N1C	REAL300025568294	0	31	-1.0	-45.90	304.44	-1.11	-47.01
CC1=NC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(Br)N1C	REAL300025568294	1	30	-2.0	-110.45	302.20	-1.47	-111.92
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025568295	0	34	-1.0	-41.05	317.41	0.94	-40.11
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)[N-]O1	REAL300025568296	0	39	-1.0	-42.10	368.42	2.80	-39.30
COC(=O)CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568297	0	37	-1.0	-47.45	339.93	0.87	-46.58
CN(C)S(=O)(=O)CCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568298	0	35	-1.0	-49.75	324.79	-4.76	-54.51
O=C1N=C(CCNS(=O)(=O)C2=CC=C3C(=O)C(Cl)(Cl)CC3=C2)[N-]O1	REAL300025568299	0	34	-1.0	-44.02	343.11	1.44	-42.58
CS(=O)(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025568300	0	34	-1.0	-49.12	333.48	-2.64	-51.76
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568301	0	41	-1.0	-48.10	355.12	0.27	-47.83
COCC1=CC(Cl)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568302	0	35	-1.0	-43.53	334.78	-0.34	-43.87
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568303	0	39	-1.0	-46.53	353.64	-1.20	-47.73
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)OC(C)C	REAL300025568304	0	43	-1.0	-45.73	375.89	2.25	-43.48
COC(=O)C(C)(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568305	0	36	-1.0	-43.56	311.89	-0.63	-44.19
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)[N-]O1	REAL300025568306	0	33	-1.0	-47.59	309.41	-3.38	-50.97
O=C1N=C(CCNS(=O)(=O)C2=CNN=C2C(F)(F)F)[N-]O1	REAL300025568307	0	28	-1.0	-42.98	279.67	-2.94	-45.92
O=C1N=C(CC[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)[N-]O1	REAL300025568307	1	27	-2.0	-98.64	276.40	-3.42	-102.06
O=C1N=C(CCNS(=O)(=O)C2=CN=NN2C2=CC=CC=C2)[N-]O1	REAL300025568308	0	34	-1.0	-46.58	308.58	-0.57	-47.15
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568309	0	41	-1.0	-49.82	372.83	-0.20	-50.02
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568310	0	44	-1.0	-49.80	394.69	0.72	-49.08
O=C1N=C(CCNS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)[N-]O1	REAL300025568311	0	27	-1.0	-40.47	294.29	-1.39	-41.86
O=C1N=C(CCNS(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)[N-]O1	REAL300025568312	0	30	-1.0	-43.10	302.73	-0.70	-43.80
COC(=O)C1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025568313	0	40	-1.0	-46.60	337.44	0.50	-46.10
O=C1N=C(CCNS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)[N-]O1	REAL300025568314	0	30	-1.0	-46.79	311.14	-0.65	-47.44
COC1=CC(OC)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025568315	0	36	-1.0	-40.55	329.02	-0.86	-41.41
O=C1N=C(CCNS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)[N-]O1	REAL300025568316	0	36	-1.0	-48.04	334.14	-2.01	-50.05
O=C1N=C(CCNS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)[N-]O1	REAL300025568317	0	35	-1.0	-45.08	318.97	-0.81	-45.89
O=C1N=C(CCNS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)[N-]O1	REAL300025568318	0	31	-1.0	-43.81	292.98	-3.31	-47.12
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568319	0	41	-1.0	-47.53	359.47	0.57	-46.96
COC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025568320	0	32	-1.0	-41.98	308.52	-0.71	-42.69
O=C1N=C(CCNS(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)[N-]O1	REAL300025568321	0	33	-1.0	-43.03	318.45	0.29	-42.74
O=C1N=C(CCNS(=O)(=O)C2=C(Br)NC=N2)[N-]O1	REAL300025568322	0	25	-1.0	-44.92	262.34	-2.59	-47.51
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Br)NC=N2)[N-]O1	REAL300025568322	1	24	-2.0	-106.12	260.10	-2.94	-109.06
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568323	0	33	-1.0	-47.39	317.21	-5.61	-53.00
CC(C)(CCS(=O)(=O)NCCC1=NC(=O)O[N-]1)S(C)(=O)=O	REAL300025568324	0	39	-1.0	-50.18	336.22	-3.44	-53.62
COC(=O)C1=NOC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL300025568325	0	29	-2.0	-90.48	294.81	-2.95	-93.43
COC(=O)C1=NOC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568325	1	30	-1.0	-44.59	297.05	-2.57	-47.16
O=C1N=C(CCNS(=O)(=O)C2=CN=C(Cl)C(C(F)(F)F)=C2)[N-]O1	REAL300025568326	0	30	-1.0	-41.17	310.20	-1.05	-42.22
O=C1N=C(CCNS(=O)(=O)C2=CC=C3CCOC3=C2)[N-]O1	REAL300025568327	0	33	-1.0	-43.29	298.78	-0.73	-44.02
O=C1N=C(CCNS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)[N-]O1	REAL300025568328	0	35	-1.0	-42.28	313.67	1.56	-40.72
O=C1N=C(CCNS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)[N-]O1	REAL300025568329	0	34	-1.0	-48.02	306.12	1.43	-46.59
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)[N-]O1	REAL300025568330	0	31	-1.0	-49.97	296.86	-1.58	-51.55
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568331	0	34	-1.0	-44.26	330.87	0.91	-43.35
CCC1=CC(CC)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(CC)=C1	REAL300025568332	0	46	-1.0	-41.25	362.65	4.07	-37.18
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])[N-]O1	REAL300025568333	0	33	-1.0	-41.70	319.25	1.92	-39.78
CC1=CC=CC(Cl)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568334	0	31	-1.0	-41.01	286.21	0.78	-40.23
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(F)C=C1Br	REAL300025568335	0	31	-1.0	-43.54	300.73	0.37	-43.17
O=C1N=C(CCNS(=O)(=O)C2CC(=O)N(C3CC3)C2)[N-]O1	REAL300025568336	0	36	-1.0	-46.18	315.83	-1.23	-47.41
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)[N-]O1	REAL300025568337	0	32	-1.0	-38.22	299.65	-0.39	-38.61
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=C2OCC3)[N-]O1	REAL300025568338	0	33	-1.0	-45.32	292.71	-0.70	-46.02
COC(=O)CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568339	0	37	-1.0	-45.29	345.39	0.92	-44.37
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC(C)=C2S1	REAL300025568340	0	37	-1.0	-44.36	334.04	2.43	-41.93
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)[N-]O1	REAL300025568341	0	32	-1.0	-38.15	309.98	0.06	-38.09
COC(CC1=CC=CC=C1)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568342	0	41	-1.0	-44.59	353.97	1.35	-43.24
COC(CC(C)C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568343	0	40	-1.0	-42.60	336.32	-0.67	-43.27
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)C=C2)[N-]O1	REAL300025568344	0	28	-1.0	-41.01	284.27	0.06	-40.95
CC1=CC=C(C=CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568345	0	35	-1.0	-43.88	316.28	1.29	-42.59
O=C1N=C(CCNS(=O)(=O)CCOCC2CCCC2)[N-]O1	REAL300025568346	0	41	-1.0	-42.93	347.72	-0.10	-43.03
O=C1N=C(CCNS(=O)(=O)CCC2=CC=C(Cl)C=C2)[N-]O1	REAL300025568347	0	34	-1.0	-43.28	324.97	1.47	-41.81
O=C1N=C(CCNS(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)[N-]O1	REAL300025568348	0	34	-1.0	-43.70	322.28	2.37	-41.33
CC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568349	0	31	-1.0	-45.08	292.90	0.38	-44.70
CC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568349	1	30	-2.0	-109.88	290.66	0.01	-109.87
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025568350	0	42	-1.0	-46.27	371.17	2.49	-43.78
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CN=C2Cl)[N-]O1	REAL300025568351	0	27	-1.0	-42.39	276.61	-1.89	-44.28
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)[N-]O1	REAL300025568351	1	26	-2.0	-94.66	285.78	-1.74	-96.40
CN1N=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025568352	0	28	-1.0	-40.72	276.38	-2.83	-43.55
CN1C(=O)SC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025568353	0	34	-1.0	-42.72	323.68	-0.57	-43.29
CN1N=NC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025568354	0	33	-1.0	-44.20	306.84	-2.11	-46.31
CS(=O)(=NS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025568355	0	35	-1.0	-51.78	325.20	-1.85	-53.63
CS(=O)(=NS(=O)(=O)[N-]CCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025568355	1	34	-2.0	-124.08	322.91	-2.22	-126.30
CN1N=NC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025568356	0	33	-1.0	-44.20	306.84	-2.11	-46.31
O=C1N=C(CCNS(=O)(=O)CCCC2CCOC2)[N-]O1	REAL300025568357	0	38	-1.0	-44.88	323.77	-1.28	-46.16
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(Br)C=C2Cl)[N-]O1	REAL300025568358	0	31	-1.0	-43.86	321.53	1.21	-42.65
O=C1N=C(CCNS(=O)(=O)CC2=CC(Cl)=CC=C2Br)[N-]O1	REAL300025568359	0	31	-1.0	-42.99	320.17	1.23	-41.76
N#CCC1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568360	0	35	-1.0	-49.37	328.98	1.33	-48.04
COC1=CC=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568361	0	32	-1.0	-40.33	289.90	-0.66	-40.99
O=C1N=C(CCNS(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)[N-]O1	REAL300025568362	0	31	-1.0	-44.32	302.56	-1.47	-45.79
O=C1N=C(CCNS(=O)(=O)CCOCC2CCC2)[N-]O1	REAL300025568363	0	38	-1.0	-42.97	330.59	-0.72	-43.69
CCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025568364	0	36	-1.0	-50.55	325.38	1.26	-49.29
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568365	0	44	-1.0	-41.80	359.61	1.56	-40.24
COC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CCOCC1	REAL300025568366	0	42	-1.0	-41.78	344.30	-2.14	-43.92
COC1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025568367	0	31	-1.0	-41.61	306.23	-3.35	-44.96
O=C1N=C(CCNS(=O)(=O)C2CC2C2=CC=CC(F)=C2)[N-]O1	REAL300025568368	0	35	-1.0	-45.26	311.19	1.67	-43.59
COC(=O)C1(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025568369	0	34	-1.0	-41.57	301.19	-0.49	-42.06
CCN1CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025568370	0	35	-1.0	-47.90	311.47	-1.87	-49.77
CCOC(=O)C1(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025568371	0	37	-1.0	-42.57	323.24	0.24	-42.33
CC1=C(Br)C=CC=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568372	0	34	-1.0	-42.78	319.17	1.32	-41.46
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025568373	0	31	-1.0	-41.09	298.46	0.54	-40.55
O=C1CCC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025568374	0	34	-1.0	-45.91	311.07	0.42	-45.49
CC1=CSC(C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025568375	0	37	-1.0	-45.53	349.22	0.90	-44.63
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025568376	0	34	-1.0	-50.50	330.88	0.31	-50.19
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1F	REAL300025568376	1	33	-2.0	-103.73	335.86	0.23	-103.50
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568377	0	37	-1.0	-45.20	336.27	0.47	-44.73
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568378	0	35	-1.0	-42.29	314.32	-0.35	-42.64
COC1=CC=C(OCCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568379	0	42	-1.0	-45.95	367.70	-0.18	-46.13
CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568380	0	51	-1.0	-50.39	408.78	1.20	-49.19
COC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025568381	0	41	-1.0	-43.29	327.19	-0.07	-43.36
CC(C)(C)OC(=O)C1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568382	0	48	-1.0	-43.29	390.65	1.30	-41.99
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])S1	REAL300025568383	0	30	-1.0	-42.82	296.80	0.73	-42.09
CN(C)S(C)(=O)=NS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568384	0	33	-1.0	-49.04	305.12	-4.60	-53.64
CN1N=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025568385	0	28	-1.0	-39.47	279.90	-2.49	-41.96
O=C1N=C(CCNS(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)[N-]O1	REAL300025568386	0	30	-1.0	-39.70	300.58	-0.40	-40.10
O=C1N=C(CC[N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)[N-]O1	REAL300025568386	1	29	-2.0	-92.67	299.22	-0.72	-93.39
CC(C)(C)OC(=O)N1CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568387	0	42	-1.0	-46.40	359.67	-1.25	-47.65
O=C1N=C(CCNS(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)[N-]O1	REAL300025568388	0	30	-1.0	-42.97	313.57	-0.59	-43.56
CN1CCC2=C(C=CC=C2S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568389	0	40	-1.0	-43.02	329.53	-0.97	-43.99
N#CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL300025568390	0	26	-1.0	-49.44	263.24	-1.71	-51.15
O=C1N=C(CCNS(=O)(=O)CC2CCC(F)CC2)[N-]O1	REAL300025568391	0	37	-1.0	-42.63	310.46	0.61	-42.02
COCC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025568392	0	38	-1.0	-41.82	321.48	-1.10	-42.92
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568393	0	35	-1.0	-44.14	327.65	1.32	-42.82
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)SC3=C2)[N-]O1	REAL300025568394	0	31	-1.0	-46.37	304.98	-2.38	-48.75
O=C1N=C(CCNS(=O)(=O)C2=C3N=CC(Br)=CN3N=C2)[N-]O1	REAL300025568395	0	30	-1.0	-43.66	305.25	-0.96	-44.62
CCCC(C(=O)OCC)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568396	0	39	-1.0	-44.79	341.68	0.56	-44.23
O=C1N=C(CCNS(=O)(=O)CCC2CC2(Cl)Cl)[N-]O1	REAL300025568397	0	31	-1.0	-45.41	311.37	0.49	-44.92
O=C1N=C(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=N2)[N-]O1	REAL300025568398	0	29	-1.0	-46.03	287.20	-1.82	-47.85
CC(C)(C)NC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1N	REAL300025568399	0	44	-1.0	-47.36	359.28	-2.13	-49.49
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(C3=CC=C([N+](=O)[O-])C=C3)=NO2)[N-]O1	REAL300025568400	0	35	-2.0	-92.21	345.87	0.71	-91.50
O=C1N=C(CCNS(=O)(=O)C2=CC(C3=CC=C([N+](=O)[O-])C=C3)=NO2)[N-]O1	REAL300025568400	1	36	-1.0	-48.26	348.11	1.10	-47.16
O=C1N=C(CCNS(=O)(=O)CC2=C(Cl)SC(Cl)=C2)[N-]O1	REAL300025568401	0	28	-1.0	-41.08	309.15	0.26	-40.82
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)SC(Br)=C1	REAL300025568402	0	28	-1.0	-41.43	287.50	-0.26	-41.69
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(F)=C2)[N-]O1	REAL300025568403	0	28	-1.0	-39.80	285.56	-0.00	-39.80
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=C2OCCCO3)[N-]O1	REAL300025568404	0	37	-1.0	-46.63	316.92	-0.25	-46.88
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568405	0	37	-1.0	-45.34	356.48	1.08	-44.26
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(Cl)C=C2)[N-]O1	REAL300025568406	0	31	-1.0	-43.05	303.46	0.68	-42.37
O=C1N=C(CCNS(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)[N-]O1	REAL300025568407	0	43	-1.0	-43.03	377.61	-2.76	-45.79
COC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025568408	0	39	-1.0	-43.54	318.71	-2.77	-46.31
O=C1N=C(CCNS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)[N-]O1	REAL300025568409	0	35	-1.0	-48.94	328.07	-2.71	-51.65
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=C2OCCC3)[N-]O1	REAL300025568410	0	36	-1.0	-42.88	306.31	0.62	-42.26
O=C1N=C(CCNS(=O)(=O)CCCC2CCOCC2)[N-]O1	REAL300025568411	0	41	-1.0	-43.93	341.66	-0.50	-44.43
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568412	0	38	-1.0	-50.69	326.76	-1.94	-52.63
CCOC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568413	0	37	-1.0	-47.70	337.84	0.78	-46.92
COC1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568414	0	37	-1.0	-42.86	311.58	-2.47	-45.33
O=C1N=C(CCNS(=O)(=O)CCC2=CC=C(F)C=C2)[N-]O1	REAL300025568415	0	34	-1.0	-43.84	314.64	1.01	-42.83
O=C1N=C(CCNS(=O)(=O)CCC2=CC=CC=C2F)[N-]O1	REAL300025568416	0	34	-1.0	-46.47	313.80	0.98	-45.49
O=C1N=C(CCNS(=O)(=O)CCC2=CC=CC=C2Cl)[N-]O1	REAL300025568417	0	34	-1.0	-45.38	320.90	1.31	-44.07
COC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CCOC1	REAL300025568418	0	39	-1.0	-44.59	328.39	-2.73	-47.32
O=C1N=C(CCNS(=O)(=O)CC2=CC(F)=CC=C2Br)[N-]O1	REAL300025568419	0	31	-1.0	-43.13	309.84	0.79	-42.34
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568420	0	32	-1.0	-38.29	310.52	-0.06	-38.35
COC1=CC2=C(C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1)C(=O)NCCC2	REAL300025568421	0	43	-1.0	-46.27	359.55	-1.66	-47.93
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)S2)C1	REAL300025568422	0	39	-1.0	-48.68	353.29	-0.10	-48.78
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=C(C#N)C=C12	REAL300025568423	0	35	-1.0	-44.85	337.54	2.03	-42.82
O=C1N=C(CCNS(=O)(=O)CCC2=NOC3=CC=CC=C32)[N-]O1	REAL300025568424	0	36	-1.0	-50.67	331.59	0.29	-50.38
CC(C)(C)OC(=O)N1CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568425	0	45	-1.0	-47.62	382.26	-0.47	-48.09
CC1(C)C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1(F)F	REAL300025568426	0	34	-1.0	-46.15	307.42	-0.08	-46.23
O=C1N=C(CCNS(=O)(=O)CC2COC3=CC=CC=C3O2)[N-]O1	REAL300025568427	0	37	-1.0	-47.16	329.60	-0.21	-47.37
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025568428	0	28	-2.0	-115.43	279.07	-1.28	-116.71
O=C1N=C(CCNS(=O)(=O)C2=NC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025568428	1	29	-1.0	-52.00	275.79	-1.24	-53.24
CN1CCOC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568429	0	37	-1.0	-45.41	317.07	-4.14	-49.55
CC(C)(C)OC(=O)N1CCOC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568430	0	49	-1.0	-47.60	403.89	-0.92	-48.52
CC(C)(C)OC(=O)N1CCOC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568431	0	49	-1.0	-47.60	403.89	-0.92	-48.52
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568432	0	53	-1.0	-41.89	443.31	4.36	-37.53
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568433	0	43	-1.0	-45.98	372.84	1.78	-44.20
CCC1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568434	0	39	-1.0	-40.75	320.14	-0.10	-40.85
O=C1N=C(CCNS(=O)(=O)CC2=CC(F)=CC=C2Cl)[N-]O1	REAL300025568435	0	31	-1.0	-43.57	306.61	0.66	-42.91
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)[N-]O1	REAL300025568436	0	28	-1.0	-40.17	301.00	0.57	-39.60
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568437	0	35	-1.0	-54.36	318.91	-3.13	-57.49
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)C(F)=C2)[N-]O1	REAL300025568438	0	28	-1.0	-39.73	289.98	0.10	-39.63
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568439	0	34	-1.0	-43.23	322.29	0.12	-43.11
O=C1N=C(CCNS(=O)(=O)CCC2CCCCO2)[N-]O1	REAL300025568440	0	38	-1.0	-42.66	322.84	-0.93	-43.59
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025568441	0	31	-1.0	-56.48	286.16	-4.01	-60.49
CN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025568441	1	30	-2.0	-105.41	289.14	-4.24	-109.65
O=C1N=C(CCNS(=O)(=O)CCC2CCC3=CC=CC=C32)[N-]O1	REAL300025568442	0	41	-1.0	-44.46	350.64	2.68	-41.78
CC(C)OC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCOC1	REAL300025568443	0	42	-1.0	-44.39	338.46	-1.89	-46.28
COC1=NSC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568444	0	31	-1.0	-44.23	304.05	-3.95	-48.18
O=C1N=C(CCNS(=O)(=O)C2=NC=CC=C2Br)[N-]O1	REAL300025568445	0	27	-1.0	-44.58	271.32	-1.79	-46.37
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=CC=C2Br)[N-]O1	REAL300025568445	1	26	-2.0	-106.64	271.99	-2.04	-108.68
O=C1N=C(CCNS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CC3)[N-]O1	REAL300025568446	0	40	-1.0	-46.22	347.05	0.87	-45.35
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025568447	0	40	-1.0	-48.49	355.68	-0.57	-49.06
COC(=O)C1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N(C)N=C1	REAL300025568448	0	34	-1.0	-47.00	309.77	-1.61	-48.61
COC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025568449	0	39	-1.0	-48.14	348.69	-1.38	-49.52
O=C1N=C(CCNS(=O)(=O)CC2(C(F)F)CCCC2)[N-]O1	REAL300025568450	0	37	-1.0	-42.90	309.34	0.79	-42.11
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2Br)[N-]O1	REAL300025568451	0	28	-1.0	-42.13	279.42	0.17	-41.96
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568452	0	33	-1.0	-43.68	318.38	1.36	-42.32
COC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025568453	0	36	-1.0	-45.12	344.88	-1.67	-46.79
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(Br)=C2)[N-]O1	REAL300025568454	0	28	-1.0	-40.60	284.27	0.06	-40.54
CCOC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025568455	0	42	-1.0	-43.21	340.57	-1.80	-45.01
CC(CC(F)(F)F)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568456	0	33	-1.0	-43.41	298.23	-0.33	-43.74
COC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL300025568457	0	38	-1.0	-45.02	345.87	0.15	-44.87
CCOC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025568458	0	38	-1.0	-44.27	327.06	-0.25	-44.52
O=C1N=C(CCNS(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)[N-]O1	REAL300025568459	0	35	-1.0	-45.49	329.19	1.23	-44.26
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=CC=C12	REAL300025568460	0	40	-1.0	-46.75	354.06	2.30	-44.45
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025568461	0	34	-1.0	-50.45	320.55	-0.13	-50.58
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1F	REAL300025568461	1	33	-2.0	-103.30	325.54	-0.21	-103.51
CC(=O)N1CCC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=C(Cl)C=C21	REAL300025568462	0	39	-1.0	-56.62	345.23	0.60	-56.02
CS(=O)(=O)N1CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568463	0	36	-1.0	-53.20	334.52	-4.77	-57.97
CCC(F)(F)C(C)(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568464	0	39	-1.0	-43.00	321.87	0.64	-42.36
CCC(C)OC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568465	0	41	-1.0	-42.13	353.02	1.10	-41.03
COC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025568466	0	41	-1.0	-43.21	335.84	-0.17	-43.38
COC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025568467	0	44	-1.0	-44.10	355.74	0.20	-43.90
O=C1N=C(CCNS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)[N-]O1	REAL300025568468	0	41	-1.0	-43.03	360.30	1.48	-41.55
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)[N-]O1	REAL300025568469	0	42	-1.0	-43.10	380.46	2.79	-40.31
CC1=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)S1	REAL300025568470	0	37	-1.0	-48.55	343.55	1.09	-47.46
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568471	0	33	-1.0	-42.57	307.10	1.62	-40.95
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C=C1F	REAL300025568471	1	32	-2.0	-106.52	305.98	1.35	-105.17
CCC1=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN1CC1CC1	REAL300025568472	0	41	-1.0	-45.64	357.08	1.20	-44.44
COC(=O)C1=C(C)C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025568473	0	34	-1.0	-46.34	320.40	-1.20	-47.54
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)O1	REAL300025568473	1	33	-2.0	-97.12	318.18	-1.58	-98.70
CC(=O)N1CC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2C1	REAL300025568474	0	39	-1.0	-47.07	347.96	0.00	-47.07
O=C1N=C(CCNS(=O)(=O)C2=CN=C(C3CC3)S2)[N-]O1	REAL300025568475	0	31	-1.0	-42.18	302.73	-1.06	-43.24
CCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(C)C	REAL300025568476	0	47	-1.0	-43.10	394.44	2.48	-40.62
NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568477	0	30	-1.0	-47.11	276.31	-2.93	-50.04
COC1=CC(F)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568478	0	32	-1.0	-40.39	289.93	-0.66	-41.05
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1[N+](=O)[O-]	REAL300025568479	0	36	-1.0	-43.12	327.10	1.77	-41.35
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC(F)=C2)[N-]O1	REAL300025568480	0	28	-1.0	-40.83	275.79	-0.43	-41.26
CC(C)(C)OC(=O)N1CC(OC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568481	0	42	-1.0	-45.31	353.91	0.42	-44.89
O=C1N=C(CCNS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)[N-]O1	REAL300025568482	0	31	-1.0	-52.87	312.45	-0.76	-53.63
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568483	0	35	-1.0	-41.73	309.55	-0.69	-42.42
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568484	0	31	-1.0	-42.79	304.58	-1.95	-44.74
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)[N-]O1	REAL300025568485	0	39	-1.0	-42.02	363.56	3.53	-38.49
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568486	0	31	-1.0	-42.72	304.77	1.00	-41.72
O=C1N=C(CCNS(=O)(=O)CC=C(Cl)Cl)[N-]O1	REAL300025568487	0	25	-1.0	-42.72	270.17	-1.21	-43.93
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)N=C2F)[N-]O1	REAL300025568488	0	27	-1.0	-47.67	273.21	-2.30	-49.97
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)[N-]O1	REAL300025568488	1	26	-2.0	-97.27	278.11	-2.35	-99.62
O=C1N=C(CCNS(=O)(=O)CC2=C(Br)SC=N2)[N-]O1	REAL300025568489	0	27	-1.0	-45.32	291.22	-2.20	-47.52
CS(=O)(=O)N1CCC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568490	0	39	-1.0	-51.09	348.96	-3.98	-55.07
CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568491	0	45	-1.0	-46.82	371.66	1.21	-45.61
O=C1N=C(CCNS(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)[N-]O1	REAL300025568492	0	29	-1.0	-41.39	308.16	-1.46	-42.85
CC1=CC2=NNC=C2C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568493	0	34	-1.0	-47.61	303.03	-0.92	-48.53
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C2C=NNC2=C1	REAL300025568493	1	34	-1.0	-44.67	303.79	-0.97	-45.64
O=C1N=C(CCNS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)[N-]O1	REAL300025568494	0	38	-1.0	-46.37	329.07	2.84	-43.53
CC1=CC=C(Br)C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568495	0	34	-1.0	-44.95	324.87	1.38	-43.57
COC1=CC=CC(Br)=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568496	0	35	-1.0	-45.46	331.62	0.09	-45.37
O=C1N=C(CCNS(=O)(=O)CCC2=C(F)C=CC=C2F)[N-]O1	REAL300025568497	0	34	-1.0	-45.21	318.87	1.00	-44.21
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1F	REAL300025568498	0	31	-1.0	-49.24	287.88	-0.10	-49.34
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)N=C2F)[N-]O1	REAL300025568499	0	27	-1.0	-47.58	277.79	-2.22	-49.80
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Br)N=C2F)[N-]O1	REAL300025568499	1	26	-2.0	-97.39	282.71	-2.27	-99.66
CCOC(=O)C1=NOC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568500	0	36	-1.0	-46.72	340.69	-0.78	-47.50
N#CC1=CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025568501	0	29	-1.0	-46.30	297.56	-0.35	-46.65
O=C(NCCC1=NC(=O)O[N-]1)OCC1=CC=C(Br)C=C1	REAL300025568502	0	31	-1.0	-41.61	301.52	2.43	-39.18
O=C(NC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1)C(F)(F)F	REAL300025568503	0	35	-1.0	-46.09	338.50	-1.27	-47.36
COC(=O)C1=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)OC=C1	REAL300025568504	0	30	-2.0	-111.62	297.00	-1.92	-113.54
COC(=O)C1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)OC=C1	REAL300025568504	1	31	-1.0	-48.59	298.28	-1.55	-50.14
CCC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C)C=C1OC	REAL300025568505	0	41	-1.0	-44.40	349.72	1.00	-43.40
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)[N-]O1	REAL300025568506	0	34	-1.0	-41.12	334.18	1.31	-39.81
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1F	REAL300025569602	0	32	-1.0	-42.02	290.05	-0.84	-42.86
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025569603	0	33	-1.0	-42.17	300.03	1.01	-41.16
O=C1N=C(CNS(=O)(=O)C2=CC=CC(Cl)=C2Br)[N-]O1	REAL300025569604	0	25	-1.0	-42.47	272.21	0.09	-42.38
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569605	0	35	-1.0	-37.84	327.02	1.88	-35.96
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)[N-]O1	REAL300025569606	0	24	-2.0	-101.23	260.66	-1.35	-102.58
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569607	0	35	-1.0	-44.04	295.36	0.34	-43.70
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C2O1	REAL300025569608	0	40	-1.0	-42.60	364.60	1.59	-41.01
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569609	0	37	-1.0	-43.64	333.03	1.31	-42.33
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)[N-]O1	REAL300025569610	0	25	-1.0	-39.53	264.66	-0.48	-40.01
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)[N-]O1	REAL300025569610	1	24	-2.0	-97.65	274.75	-0.62	-98.27
CC1=C(Cl)SC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569611	0	25	-1.0	-38.59	269.88	-0.86	-39.45
COC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(OC)C=C1Br	REAL300025569612	0	33	-1.0	-41.24	311.29	-1.29	-42.53
O=C1N=C(CNS(=O)(=O)C2=CC=CC(C(F)F)=C2)[N-]O1	REAL300025569613	0	28	-1.0	-42.98	273.09	-0.21	-43.19
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)[N-]O1	REAL300025569614	0	28	-1.0	-39.67	277.91	-0.33	-40.00
CC1=CC(Br)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569615	0	28	-1.0	-39.86	283.60	0.20	-39.66
CSC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569616	0	29	-1.0	-44.08	265.11	-0.93	-45.01
CC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025569617	0	32	-1.0	-43.89	314.91	-1.42	-45.31
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569618	0	36	-1.0	-54.55	319.75	-1.11	-55.66
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)[N-]O1	REAL300025569619	0	37	-1.0	-46.48	314.90	-2.37	-48.85
O=C1N=C(CNS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)[N-]O1	REAL300025569620	0	31	-1.0	-42.71	321.36	-2.96	-45.67
O=C1N=C(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)[N-]O1	REAL300025569621	0	33	-1.0	-42.09	310.34	0.18	-41.91
COC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025569622	0	35	-1.0	-42.05	331.60	-1.73	-43.78
COC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025569623	0	29	-1.0	-40.54	276.63	-1.71	-42.25
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569624	0	36	-1.0	-45.06	317.69	-0.84	-45.90
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569625	0	39	-1.0	-44.16	347.82	0.03	-44.13
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)[N-]O1	REAL300025569626	0	39	-1.0	-42.87	347.91	2.30	-40.57
COC(=O)C1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=CS1	REAL300025569627	0	31	-1.0	-46.73	295.70	0.17	-46.56
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)[N-]O1	REAL300025569628	0	25	-1.0	-37.84	275.33	-0.26	-38.10
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)[N-]O1	REAL300025569628	1	24	-2.0	-97.76	281.21	-0.63	-98.39
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569629	0	37	0.0	-70.56	319.32	0.82	-69.74
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569630	0	33	-1.0	-46.33	313.11	1.10	-45.23
CN1N=CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025569631	0	30	-1.0	-43.61	285.26	-1.95	-45.56
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=CC=C3OCC2)[N-]O1	REAL300025569632	0	34	-1.0	-42.03	301.98	0.38	-41.65
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025569633	0	52	-1.0	-42.19	425.91	3.37	-38.82
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)S1	REAL300025569634	0	27	-2.0	-95.15	307.78	-1.40	-96.55
COC(=O)C1=CC(Br)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569634	1	28	-1.0	-38.61	304.81	-0.91	-39.52
COC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569635	0	33	-1.0	-45.59	307.82	-2.85	-48.44
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)[N-]O1	REAL300025569637	0	28	-1.0	-38.58	296.37	0.43	-38.15
COC1=C(F)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025569638	0	31	-1.0	-41.09	304.37	-0.25	-41.34
COC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025569639	0	35	-1.0	-42.05	331.60	-1.73	-43.78
O=C1N=C(CNS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)[N-]O1	REAL300025569640	0	36	-1.0	-52.00	339.89	0.75	-51.25
N#CC1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569641	0	26	-1.0	-42.31	263.34	-0.65	-42.96
O=C1N=C(CNS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)[N-]O1	REAL300025569642	0	28	-1.0	-45.54	284.85	-2.01	-47.55
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)[N-]O1	REAL300025569643	0	40	-1.0	-47.41	342.36	-0.55	-47.96
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)[N-]O1	REAL300025569644	0	31	-1.0	-40.86	308.09	1.80	-39.06
COC(=O)CCCCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569645	0	36	-1.0	-49.27	324.71	-0.23	-49.50
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025569646	0	35	-1.0	-43.07	316.06	-0.61	-43.68
COC1=CC=C(CCS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569647	0	35	-1.0	-45.30	315.66	-0.28	-45.58
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)[N-]O1	REAL300025569648	0	40	-1.0	-45.40	356.14	0.31	-45.09
O=C1N=C(CNS(=O)(=O)C2=CN(CC(F)F)N=C2)[N-]O1	REAL300025569649	0	28	-1.0	-45.13	278.82	-2.19	-47.32
O=C1N=C(CNS(=O)(=O)CCC2=CC=C3OCCC3=C2)[N-]O1	REAL300025569650	0	36	-1.0	-45.89	322.04	0.27	-45.62
O=C1N=C(CNS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)[N-]O1	REAL300025569651	0	24	-1.0	-42.82	262.06	-1.33	-44.15
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569652	0	43	0.0	-69.65	357.36	0.13	-69.52
COC1=CC=CC(OC)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569653	0	33	-1.0	-47.45	294.89	-0.57	-48.02
O=C1N=C(CNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025569654	0	27	-1.0	-44.84	269.12	-0.41	-45.25
COC1=CC(Br)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569655	0	29	-1.0	-40.52	291.70	-1.16	-41.68
CCOC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL300025569656	0	35	-1.0	-47.19	323.93	-0.06	-47.25
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C=C2F)[N-]O1	REAL300025569657	0	25	-1.0	-39.68	260.41	-0.72	-40.40
CC(C)(C)OC(=O)N1CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569658	0	39	-1.0	-45.73	335.61	-1.82	-47.55
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569659	0	39	-1.0	-45.66	355.17	0.06	-45.60
CC1=CC(Br)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569660	0	28	-1.0	-38.84	276.92	0.43	-38.41
O=C1N=C(CNS(=O)(=O)C2=CNC3=CC=CC(F)=C23)[N-]O1	REAL300025569661	0	29	-1.0	-50.45	279.36	-1.03	-51.48
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569662	0	38	-1.0	-42.35	328.68	0.27	-42.08
CC1=CC=NC2=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=CC=C12	REAL300025569663	0	33	-1.0	-48.02	291.01	0.58	-47.44
CC1=CC=C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569664	0	31	-1.0	-45.66	291.37	0.34	-45.32
COC1=CC=C(Br)C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569665	0	32	-1.0	-44.75	310.83	-0.51	-45.26
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=NSN=C32)[N-]O1	REAL300025569666	0	26	-1.0	-45.18	259.24	-2.70	-47.88
O=C1N=C(CNS(=O)(=O)C2=CC=CC(Br)=C2F)[N-]O1	REAL300025569667	0	25	-1.0	-42.32	259.77	-0.73	-43.05
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025569668	0	35	-1.0	-43.58	322.98	-0.37	-43.95
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569669	0	29	-1.0	-45.99	296.71	-3.69	-49.68
COCCN(CCC#N)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569670	0	34	-1.0	-44.40	305.26	-2.64	-47.04
CC1=CC2=C(C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1)OCO2	REAL300025569671	0	31	-1.0	-40.96	281.59	-1.52	-42.48
O=C1N=C(CNS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)[N-]O1	REAL300025569672	0	31	-1.0	-40.64	307.92	0.05	-40.59
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569673	0	31	-1.0	-43.88	283.02	0.02	-43.86
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)[N-]O1	REAL300025569674	0	27	-1.0	-37.76	279.82	-0.29	-38.05
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)[N-]O1	REAL300025569674	1	26	-2.0	-92.34	285.75	-0.65	-92.99
CN(C)C(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569675	0	35	-1.0	-46.07	310.76	-1.29	-47.36
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569676	0	34	-1.0	-48.95	306.89	1.35	-47.60
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)[N-]O1	REAL300025569677	0	31	-1.0	-46.74	290.61	-0.05	-46.79
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C=C2Cl)[N-]O1	REAL300025569678	0	25	-1.0	-39.15	259.29	-0.53	-39.68
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569679	0	31	-1.0	-38.28	273.40	0.47	-37.81
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2Br)[N-]O1	REAL300025569680	0	25	-1.0	-39.99	274.11	0.17	-39.82
COC1=CC2=C(C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1)OCC(=O)N2	REAL300025569681	0	35	-1.0	-44.95	312.08	-4.03	-48.98
O=C1N=C(CNS(=O)(=O)CC2=CC=CC(Cl)=C2)[N-]O1	REAL300025569682	0	28	-1.0	-44.70	281.37	0.14	-44.56
CC(=O)NC1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569683	0	28	-1.0	-48.81	285.84	-3.59	-52.40
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569683	1	27	-2.0	-84.03	282.55	-4.72	-88.75
O=C1N=C(CNS(=O)(=O)CC2=CC=CC(Br)=C2)[N-]O1	REAL300025569684	0	28	-1.0	-44.64	285.93	0.25	-44.39
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569685	0	29	-1.0	-46.23	292.15	-3.79	-50.02
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025569686	0	36	-1.0	-44.86	332.22	-3.99	-48.85
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C2S1	REAL300025569687	0	37	-1.0	-43.10	355.53	1.96	-41.14
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)[N-]O1	REAL300025569688	0	31	-1.0	-48.92	295.62	-1.62	-50.54
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025569689	0	30	-1.0	-49.89	297.67	-5.47	-55.36
CN(C)C1=CC=CC2=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=CC=C12	REAL300025569690	0	39	-1.0	-42.52	335.33	1.12	-41.40
COC(=O)C1=CN=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569691	0	30	-1.0	-43.09	290.86	-2.23	-45.32
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025569692	0	26	-1.0	-41.41	281.40	-0.18	-41.59
O=C1N=C(CNS(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)[N-]O1	REAL300025569693	0	27	-1.0	-38.04	283.17	-0.01	-38.05
O=C1N=C(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)[N-]O1	REAL300025569693	1	26	-2.0	-92.58	293.37	-0.13	-92.71
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)[N-]O1	REAL300025569694	0	25	-1.0	-38.02	269.53	0.24	-37.78
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)[N-]O1	REAL300025569694	1	24	-2.0	-96.79	269.59	-0.39	-97.18
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C=C2Br)[N-]O1	REAL300025569695	0	25	-1.0	-39.55	274.11	0.16	-39.39
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025569696	0	29	-1.0	-41.29	286.85	-1.04	-42.33
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569697	0	29	-1.0	-42.40	278.14	-0.74	-43.14
O=C1N=C(CNS(=O)(=O)C2=CNC(C(F)(F)F)=C2)[N-]O1	REAL300025569698	0	26	-1.0	-43.09	268.40	-2.31	-45.40
O=C1N=C(CNS(=O)(=O)CCC2CC3=CC=CC=C3C2)[N-]O1	REAL300025569699	0	38	-1.0	-45.36	329.64	2.21	-43.15
CC(C)(C)C1=CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025569700	0	36	-1.0	-46.87	322.77	-0.35	-47.22
COC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569701	0	32	-1.0	-40.29	301.94	-0.44	-40.73
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569702	0	31	-1.0	-38.73	314.81	-0.44	-39.17
CC(C)(C)OC(=O)N1CCN(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569703	0	43	-1.0	-37.72	341.49	1.62	-36.10
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569704	0	31	-1.0	-43.17	300.23	-0.40	-43.57
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569705	0	31	-1.0	-41.29	293.82	-0.67	-41.96
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569706	0	33	-1.0	-48.01	305.56	0.24	-47.77
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569707	0	28	-1.0	-38.06	282.58	0.49	-37.57
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=CC=C3N=C2)[N-]O1	REAL300025569708	0	30	-1.0	-43.19	282.09	-0.71	-43.90
CC1=CC=C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569709	0	31	-1.0	-45.51	291.38	0.34	-45.17
CC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569710	0	32	-1.0	-44.23	302.10	-2.07	-46.30
COC1=CC(Cl)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025569711	0	33	-1.0	-41.42	301.30	-1.82	-43.24
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)[N-]O1	REAL300025569712	0	29	-1.0	-42.54	286.38	-1.44	-43.98
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)[N-]O1	REAL300025569713	0	28	-1.0	-39.43	285.23	-0.02	-39.45
O=C(NCC1=NC(=O)O[N-]1)N1CCC(CC2=CC=CC=C2)CC1	REAL300025569714	0	42	-1.0	-38.01	336.87	5.08	-32.93
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)[N-]O1	REAL300025569715	0	25	-1.0	-38.90	277.04	-0.01	-38.91
O=C1N=C(CNS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)[N-]O1	REAL300025569716	0	36	-1.0	-42.69	337.40	-1.26	-43.95
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569717	0	29	-1.0	-41.63	268.59	-2.04	-43.67
CC1=CC=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025569718	0	33	-1.0	-50.18	297.07	1.89	-48.29
O=C1N=C(CNS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)[N-]O1	REAL300025569719	0	31	-1.0	-42.79	301.91	0.71	-42.08
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569720	0	35	-1.0	-37.84	327.02	1.88	-35.96
O=C1N=C(CNS(=O)(=O)C2=CN=C(Cl)C(F)=C2)[N-]O1	REAL300025569721	0	24	-1.0	-38.56	258.64	-2.40	-40.96
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=CC=C3OC2)[N-]O1	REAL300025569722	0	31	-1.0	-42.63	286.60	-0.58	-43.21
CNC(=O)C1=CC=C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569723	0	35	-1.0	-50.33	321.13	-2.09	-52.42
O=C1N=C(CNS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)[N-]O1	REAL300025569724	0	29	-1.0	-43.56	288.65	-0.21	-43.77
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)F)C=C2)[N-]O1	REAL300025569725	0	28	-1.0	-42.38	275.07	-0.15	-42.53
O=C1N=C(CNS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)[N-]O1	REAL300025569726	0	35	-1.0	-43.46	315.11	2.33	-41.13
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569727	0	34	-1.0	-44.34	315.76	0.24	-44.10
O=C1N=C(CNS(=O)(=O)CC2=CC=CC=C2Br)[N-]O1	REAL300025569728	0	28	-1.0	-44.70	281.26	0.20	-44.50
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL300025569729	0	37	-1.0	-45.82	342.91	0.13	-45.69
CC(COC1CCCC1)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569730	0	41	-1.0	-44.17	341.71	0.27	-43.90
CC1=C(CCS(=O)(=O)NCC2=NC(=O)O[N-]2)SC=N1	REAL300025569731	0	30	-1.0	-44.70	289.67	-1.86	-46.56
O=C1N=C(CNS(=O)(=O)CCC2=CC=CC(Cl)=C2)[N-]O1	REAL300025569732	0	31	-1.0	-44.32	302.89	0.92	-43.40
O=C(OCC1=CC=CC=C1)N1CCC(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569733	0	43	-1.0	-48.65	381.01	1.07	-47.58
CCOC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(F)C=C1Cl	REAL300025569734	0	34	-1.0	-39.56	328.32	0.64	-38.92
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C(F)C=C1Cl	REAL300025569734	1	33	-2.0	-98.98	334.23	0.26	-98.72
O=C1N=C(CNS(=O)(=O)CC2CCCS(=O)(=O)C2)[N-]O1	REAL300025569735	0	34	-1.0	-52.93	302.04	-3.91	-56.84
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL300025569736	0	36	-1.0	-46.43	336.46	-1.31	-47.74
CCOC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(F)C=C1C	REAL300025569737	0	37	-1.0	-40.98	331.84	0.78	-40.20
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569738	0	39	-1.0	-50.72	352.44	-2.89	-53.61
COCC1=CC=C(OC)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569739	0	36	-1.0	-45.03	316.49	-1.54	-46.57
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2F)[N-]O1	REAL300025569740	0	25	-1.0	-40.67	255.90	-0.82	-41.49
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)[N-]O1	REAL300025569740	1	24	-2.0	-103.98	261.82	-1.19	-105.17
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2CC1	REAL300025569741	0	42	-1.0	-48.79	353.21	0.84	-47.95
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025569742	0	34	-1.0	-44.08	325.85	0.38	-43.70
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL300025569743	0	35	-1.0	-42.44	334.81	0.52	-41.92
CCCC1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569744	0	34	-1.0	-41.54	306.96	1.18	-40.36
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569745	0	34	-1.0	-41.32	302.79	0.88	-40.44
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569746	0	39	-1.0	-46.97	356.51	-0.03	-47.00
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)[N-]O1	REAL300025569747	0	28	-1.0	-41.68	282.58	0.99	-40.69
O=C1N=C(CNS(=O)(=O)C2=CSC3=CC=CC=C23)[N-]O1	REAL300025569748	0	28	-1.0	-41.09	266.90	-0.20	-41.29
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569749	0	37	-1.0	-46.30	339.72	1.28	-45.02
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569750	0	31	-1.0	-43.72	313.27	1.61	-42.11
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025569750	1	30	-2.0	-108.44	313.00	1.00	-107.44
CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569751	0	50	-1.0	-42.98	400.90	0.06	-42.92
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569752	0	38	-1.0	-46.82	337.94	0.31	-46.51
CCOC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025569753	0	37	-1.0	-41.76	333.58	1.03	-40.73
CC1(C)CC2=CC=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=C2O1	REAL300025569754	0	36	-1.0	-45.01	312.21	0.17	-44.84
N#CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025569755	0	29	-1.0	-41.70	297.57	0.10	-41.60
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569756	0	35	-1.0	-50.24	322.11	-3.74	-53.98
N#CC1=C(Br)C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569757	0	26	-1.0	-46.03	266.13	-0.84	-46.87
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569758	0	31	-1.0	-38.89	294.39	0.80	-38.09
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569759	0	42	-1.0	-47.15	377.69	-1.36	-48.51
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)[N-]O1	REAL300025569760	0	24	-2.0	-105.21	261.93	-0.90	-106.11
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CC(F)=C2F)[N-]O1	REAL300025569760	1	25	-1.0	-42.21	263.23	-0.22	-42.43
C[NH+]1CCN(CCCS(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569761	0	42	0.0	-68.62	342.70	-1.86	-70.48
CN1CCN(CCCS(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569761	1	41	-1.0	-44.64	339.78	-4.23	-48.87
O=C1N=C(CNS(=O)(=O)CC2=C(F)C=CC=C2Cl)[N-]O1	REAL300025569762	0	28	-1.0	-45.21	283.44	0.10	-45.11
CC1=CC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025569763	0	34	-1.0	-42.38	308.19	1.85	-40.53
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569764	0	34	-1.0	-40.84	324.17	0.89	-39.95
O=C(COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1)NC1CC1	REAL300025569765	0	40	-1.0	-49.12	362.51	-0.53	-49.65
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569766	0	38	-1.0	-47.44	336.65	-0.72	-48.16
N#CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569767	0	28	-1.0	-44.74	274.65	-0.68	-45.42
COC1=NC=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569768	0	28	-1.0	-39.85	280.60	-3.27	-43.12
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C(C)C)=C1	REAL300025569769	0	52	-1.0	-39.82	399.72	4.95	-34.87
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)[N-]O1	REAL300025569770	0	30	-1.0	-44.23	287.62	0.46	-43.77
CC(C)OC1=CN=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569771	0	34	-1.0	-39.96	305.35	-2.03	-41.99
CC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CC1(Cl)Cl	REAL300025569772	0	28	-1.0	-42.10	282.62	-0.24	-42.34
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569773	0	32	-1.0	-40.52	309.14	-0.78	-41.30
CCOC(=O)C1=CC=C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569774	0	37	-1.0	-47.15	341.33	1.23	-45.92
O=C1N=C(CNS(=O)(=O)CC2=CC=C(Br)C(F)=C2)[N-]O1	REAL300025569775	0	28	-1.0	-44.86	291.66	0.30	-44.56
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569776	0	34	-1.0	-55.11	325.34	-2.86	-57.97
CC(C)OC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025569777	0	34	-1.0	-40.89	310.07	-2.53	-43.42
COC1=CC=C2C=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)CCC2=C1	REAL300025569778	0	37	-1.0	-42.52	324.82	0.62	-41.90
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC3CC3)C=C2)[N-]O1	REAL300025569779	0	33	-1.0	-41.57	301.43	-0.11	-41.68
O=C1N=C(CNS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)[N-]O1	REAL300025569780	0	28	-1.0	-40.71	277.07	-0.63	-41.34
O=C1N=C(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)[N-]O1	REAL300025569780	1	27	-2.0	-101.67	275.77	-1.30	-102.97
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)[N-]O1	REAL300025569781	0	28	-1.0	-41.75	293.41	0.92	-40.83
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)[N-]O1	REAL300025569781	1	27	-2.0	-107.16	292.10	0.25	-106.91
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569782	0	39	-1.0	-45.23	355.65	-2.94	-48.17
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569782	1	38	-2.0	-87.70	352.35	-2.84	-90.54
COC(=O)C1=NC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569783	0	30	-1.0	-48.84	280.79	-1.35	-50.19
O=C(NCCS(=O)(=O)NCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025569784	0	39	-1.0	-48.99	358.15	-1.66	-50.65
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])[N-]O1	REAL300025569785	0	27	-1.0	-41.92	280.89	0.97	-40.95
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])[N-]O1	REAL300025569785	1	26	-2.0	-100.60	283.27	0.46	-100.14
O=C1N=C(CNS(=O)(=O)C2=CSN=C2C2=CC=CC=C2)[N-]O1	REAL300025569786	0	31	-1.0	-42.08	296.08	0.10	-41.98
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)[N-]O1	REAL300025569787	0	27	-1.0	-40.24	278.27	-1.80	-42.04
O=C1N=C(CNS(=O)(=O)CC23CCC(CC2)CC3)[N-]O1	REAL300025569788	0	38	-1.0	-43.17	298.32	0.94	-42.23
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569789	0	34	-1.0	-41.91	334.28	1.01	-40.90
O=C1N=C(CNS(=O)(=O)CC2=CC=C(C(F)F)C=C2)[N-]O1	REAL300025569790	0	31	-1.0	-46.25	296.84	0.50	-45.75
CC1=CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C2NC1=O	REAL300025569791	0	34	-1.0	-44.63	311.97	-1.35	-45.98
O=C1N=C(CNS(=O)(=O)C2=CC=CN=C2OCC(F)F)[N-]O1	REAL300025569792	0	31	-1.0	-48.83	290.73	-2.78	-51.61
N#CC1=CC(F)=CC=C1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569793	0	29	-1.0	-46.53	289.45	-0.08	-46.61
O=C(OCC1=CC=CC=C1)N1CCC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569794	0	46	-1.0	-53.26	401.00	1.74	-51.52
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025569795	0	28	-1.0	-46.07	280.65	-2.14	-48.21
CN1C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025569795	1	27	-2.0	-105.24	279.58	-2.85	-108.09
O=C1N=C(CNS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)[N-]O1	REAL300025569796	0	34	-1.0	-43.09	305.70	0.51	-42.58
O=C1N=C(CNS(=O)(=O)CC2CCCCC2(F)F)[N-]O1	REAL300025569797	0	34	-1.0	-42.60	293.96	0.07	-42.53
COC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025569798	0	35	-1.0	-44.14	317.40	-0.45	-44.59
COC(=O)C1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025569799	0	40	-1.0	-47.62	327.09	0.40	-47.22
O=C1N=C(CNS(=O)(=O)CCC2=CC=CC=C2Br)[N-]O1	REAL300025569800	0	31	-1.0	-43.66	302.34	0.86	-42.80
NC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Br)C=C1F	REAL300025569801	0	29	-1.0	-42.60	296.33	-3.46	-46.06
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(F)C=C1[N+](=O)[O-]	REAL300025569802	0	30	-1.0	-39.42	283.37	-0.15	-39.57
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)[N-]O1	REAL300025569803	0	26	-1.0	-42.62	268.69	-1.84	-44.46
O=C1N=C(CNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)[N-]O1	REAL300025569804	0	29	-1.0	-41.86	284.97	-1.54	-43.40
CC1=CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C2N=C1Cl	REAL300025569805	0	33	-1.0	-42.65	317.38	0.30	-42.35
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(F)C=C1C	REAL300025569806	0	34	-1.0	-41.23	309.93	-0.14	-41.37
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)S2)[N-]O1	REAL300025569807	0	25	-1.0	-38.73	273.46	-0.89	-39.62
COC(=O)C1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025569808	0	34	-1.0	-48.89	299.43	-0.67	-49.56
O=C1N=C(CNS(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)[N-]O1	REAL300025569809	0	35	-1.0	-43.56	324.87	-0.46	-44.02
O=C1N=C(CNS(=O)(=O)C2=C3N=CSC3=CC=C2)[N-]O1	REAL300025569810	0	27	-1.0	-46.04	265.26	-1.34	-47.38
O=C1N=C(CNS(=O)(=O)C2=C3OCCCN3N=C2)[N-]O1	REAL300025569811	0	30	-1.0	-44.74	273.77	-4.16	-48.90
O=C1N=C(CNS(=O)(=O)CCOCC2=CC=CC=C2)[N-]O1	REAL300025569812	0	35	-1.0	-44.06	320.17	-0.32	-44.38
O=C1N=C(CNS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)[N-]O1	REAL300025569813	0	41	-1.0	-51.33	373.99	0.79	-50.54
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN=C1C	REAL300025569814	0	33	-1.0	-40.39	307.14	-1.73	-42.12
O=C1N=C(CNS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025569815	0	26	-1.0	-40.74	264.28	-2.23	-42.97
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569816	0	37	-1.0	-47.39	344.55	-1.87	-49.26
COCCOC1=C(Cl)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569817	0	36	-1.0	-40.17	361.87	-0.35	-40.52
O=C1N=C(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])[N-]O1	REAL300025569818	0	28	-2.0	-83.97	278.11	-1.48	-85.45
O=C1N=C(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)[N-]O1	REAL300025569818	1	29	-1.0	-41.30	289.11	-2.38	-43.68
O=C1N=C(CNS(=O)(=O)CCOCCN2C(=O)C3=CC=CC=C3C2=O)[N-]O1	REAL300025569819	0	42	-1.0	-50.47	385.80	-0.68	-51.15
N#CC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025569820	0	26	-1.0	-38.99	279.64	-0.44	-39.43
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C=C1Br	REAL300025569820	1	25	-2.0	-95.21	285.56	-0.81	-96.02
CC1=NC(Cl)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569821	0	27	-1.0	-39.27	268.56	-1.67	-40.94
CC1=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Br)N1C	REAL300025569822	0	28	-1.0	-45.39	280.42	-1.54	-46.93
CC1=NC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C(Br)N1C	REAL300025569822	1	27	-2.0	-114.87	281.30	-2.37	-117.24
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025569823	0	31	-1.0	-39.42	295.33	0.43	-38.99
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)[N-]O1	REAL300025569824	0	36	-1.0	-40.82	346.31	2.28	-38.54
COC(=O)CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569825	0	34	-1.0	-46.48	317.86	0.35	-46.13
CN(C)S(=O)(=O)CCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569826	0	32	-1.0	-49.42	303.36	-5.33	-54.75
CS(=O)(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025569827	0	31	-1.0	-46.01	311.40	-3.15	-49.16
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569828	0	38	-1.0	-51.59	333.04	-0.24	-51.83
COCC1=CC(Cl)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569829	0	32	-1.0	-40.76	312.70	-0.85	-41.61
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569830	0	36	-1.0	-45.38	331.58	-1.74	-47.12
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)OC(C)C	REAL300025569831	0	40	-1.0	-41.88	353.83	1.74	-40.14
O=C1N=C(CNS(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)[N-]O1	REAL300025569832	0	30	-1.0	-43.78	287.33	-3.89	-47.67
O=C1N=C(CNS(=O)(=O)C2=CNN=C2C(F)(F)F)[N-]O1	REAL300025569833	0	25	-1.0	-45.35	257.52	-3.45	-48.80
O=C1N=C(C[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)[N-]O1	REAL300025569833	1	24	-2.0	-102.05	255.26	-4.24	-106.29
O=C1N=C(CNS(=O)(=O)C2=CN=NN2C2=CC=CC=C2)[N-]O1	REAL300025569834	0	31	-1.0	-43.23	288.26	-1.48	-44.71
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1I	REAL300025569835	0	28	-1.0	-40.32	286.25	0.56	-39.76
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569836	0	38	-1.0	-44.43	350.75	-0.72	-45.15
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569837	0	41	-1.0	-44.18	372.61	0.21	-43.97
O=C1N=C(CNS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)[N-]O1	REAL300025569838	0	24	-1.0	-38.28	272.20	-1.90	-40.18
O=C1N=C(CNS(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)[N-]O1	REAL300025569839	0	27	-1.0	-40.09	280.65	-1.22	-41.31
COC(=O)C1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025569840	0	37	-1.0	-48.66	314.87	0.07	-48.59
O=C1N=C(CNS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)[N-]O1	REAL300025569841	0	27	-1.0	-41.53	289.07	-1.17	-42.70
COC1=CC(OC)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569842	0	33	-1.0	-43.05	306.89	-1.39	-44.44
O=C1N=C(CNS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)[N-]O1	REAL300025569843	0	33	-1.0	-42.89	312.05	-2.53	-45.42
O=C1N=C(CNS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)[N-]O1	REAL300025569844	0	32	-1.0	-46.81	296.88	-1.33	-48.14
O=C1N=C(CNS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)[N-]O1	REAL300025569845	0	28	-1.0	-42.68	270.90	-3.83	-46.51
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569846	0	38	-1.0	-45.40	336.82	0.34	-45.06
COC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025569847	0	29	-1.0	-40.04	286.44	-1.22	-41.26
O=C1N=C(CNS(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)[N-]O1	REAL300025569848	0	30	-1.0	-43.26	296.38	-0.23	-43.49
O=C1N=C(CNS(=O)(=O)C2=CN=C3C(Br)=CSC3=C2)[N-]O1	REAL300025569849	0	27	-1.0	-41.65	294.40	-0.98	-42.63
O=C1N=C(CNS(=O)(=O)C2=C(Br)NC=N2)[N-]O1	REAL300025569850	0	22	-1.0	-45.09	240.23	-3.09	-48.18
O=C1N=C(C[N-]S(=O)(=O)C2=C(Br)NC=N2)[N-]O1	REAL300025569850	1	21	-2.0	-108.30	238.93	-3.76	-112.06
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569851	0	30	-1.0	-48.77	295.08	-6.12	-54.89
CC(C)(CCS(=O)(=O)NCC1=NC(=O)O[N-]1)S(C)(=O)=O	REAL300025569852	0	36	-1.0	-52.35	314.15	-3.97	-56.32
COC(=O)C1=NOC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1	REAL300025569853	0	26	-2.0	-93.93	273.67	-3.77	-97.70
COC(=O)C1=NOC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569853	1	27	-1.0	-40.24	274.97	-3.08	-43.32
O=C1N=C(CNS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)[N-]O1	REAL300025569854	0	31	-1.0	-43.73	284.04	0.91	-42.82
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)[N-]O1	REAL300025569855	0	28	-1.0	-44.00	274.77	-2.10	-46.10
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569856	0	31	-1.0	-47.30	308.98	0.49	-46.81
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025569857	0	40	-1.0	-45.41	364.28	2.19	-43.22
CCC1=CC(CC)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(CC)=C1	REAL300025569858	0	43	-1.0	-39.51	341.03	3.51	-36.00
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])[N-]O1	REAL300025569859	0	30	-1.0	-45.74	297.40	1.42	-44.32
CC1=CC=CC(Cl)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569860	0	28	-1.0	-42.25	263.28	0.20	-42.05
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(F)C=C1Br	REAL300025569861	0	28	-1.0	-39.50	278.65	-0.15	-39.65
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025569862	0	44	-1.0	-43.53	382.41	-0.31	-43.84
O=C1N=C(CNS(=O)(=O)C2CC(=O)N(C3CC3)C2)[N-]O1	REAL300025569863	0	33	-1.0	-46.66	285.72	-2.13	-48.79
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)[N-]O1	REAL300025569864	0	29	-1.0	-40.84	277.57	-0.92	-41.76
COC(=O)CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569865	0	34	-1.0	-46.30	323.31	0.41	-45.89
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC(C)=C2S1	REAL300025569866	0	34	-1.0	-41.70	306.14	1.73	-39.97
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)[N-]O1	REAL300025569867	0	29	-1.0	-40.56	287.90	-0.47	-41.03
COC(CC1=CC=CC=C1)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569868	0	38	-1.0	-44.76	339.10	0.32	-44.44
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C=C2)[N-]O1	REAL300025569869	0	25	-1.0	-39.52	262.20	-0.47	-39.99
O=C1N=C(CNS(=O)(=O)CCOCC2CCCC2)[N-]O1	REAL300025569870	0	38	-1.0	-42.48	325.64	-0.62	-43.10
O=C1N=C(CNS(=O)(=O)CCC2=CC=C(Cl)C=C2)[N-]O1	REAL300025569871	0	31	-1.0	-44.00	302.88	0.94	-43.06
O=C1N=C(CNS(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)[N-]O1	REAL300025569872	0	31	-1.0	-43.45	300.20	1.85	-41.60
CC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569873	0	28	-1.0	-43.94	270.80	-0.13	-44.07
CC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569873	1	27	-2.0	-111.54	269.50	-0.80	-112.34
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025569874	0	39	-1.0	-42.81	349.09	1.98	-40.83
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569875	0	42	-1.0	-50.00	383.79	-2.57	-52.57
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CN=C2Cl)[N-]O1	REAL300025569876	0	24	-1.0	-38.58	254.53	-2.41	-40.99
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)[N-]O1	REAL300025569876	1	23	-2.0	-97.08	264.63	-2.55	-99.63
CN1N=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025569877	0	25	-1.0	-40.05	254.30	-3.36	-43.41
CN1C(=O)SC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025569878	0	31	-1.0	-43.27	301.59	-1.08	-44.35
CN1N=NC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025569879	0	30	-1.0	-46.03	284.74	-2.63	-48.66
CS(=O)(=NS(=O)(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025569880	0	32	-1.0	-53.53	303.15	-2.37	-55.90
CS(=O)(=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025569880	1	31	-2.0	-127.72	301.80	-3.04	-130.76
O=C1N=C(CNS(=O)(=O)CC2=CC=C(Br)C=C2Cl)[N-]O1	REAL300025569881	0	28	-1.0	-42.65	299.44	0.68	-41.97
O=C1N=C(CNS(=O)(=O)CC2=CC(Cl)=CC=C2Br)[N-]O1	REAL300025569882	0	28	-1.0	-42.60	298.09	0.71	-41.89
N#CCC1=CC=C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569883	0	32	-1.0	-49.79	306.90	0.81	-48.98
COC1=CC=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569884	0	29	-1.0	-42.80	267.82	-1.19	-43.99
O=C1N=C(CNS(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)[N-]O1	REAL300025569885	0	28	-1.0	-39.87	280.48	-1.98	-41.85
CCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025569886	0	33	-1.0	-44.68	303.35	0.74	-43.94
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025569887	0	32	-1.0	-43.15	316.33	1.30	-41.85
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569888	0	41	-1.0	-43.41	337.60	1.06	-42.35
COC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL300025569889	0	39	-1.0	-45.06	326.57	-2.63	-47.69
COC1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569890	0	28	-1.0	-39.86	284.15	-3.86	-43.72
O=C1N=C(CNS(=O)(=O)C2CC2C2=CC=CC(F)=C2)[N-]O1	REAL300025569891	0	32	-1.0	-47.94	289.16	1.14	-46.80
CCOC(=O)C1(S(=O)(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025569892	0	34	-1.0	-42.72	301.54	-0.27	-42.99
CC1=C(Br)C=CC=C1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569893	0	31	-1.0	-44.22	298.53	0.72	-43.50
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025569894	0	28	-1.0	-39.54	276.36	0.02	-39.52
O=C1CCC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025569895	0	31	-1.0	-47.27	289.01	-0.10	-47.37
CC1=CSC(C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025569896	0	34	-1.0	-42.34	327.14	0.39	-41.95
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025569897	0	31	-1.0	-43.06	308.82	-0.22	-43.28
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1F	REAL300025569897	1	30	-2.0	-107.21	314.73	-0.59	-107.80
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569898	0	34	-1.0	-44.09	314.22	-0.06	-44.15
COC1=CC=C(OCCCS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569899	0	39	-1.0	-47.47	345.62	-0.71	-48.18
CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569900	0	48	-1.0	-53.07	386.70	0.68	-52.39
CC(C)(C)OC(=O)C1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569901	0	45	-1.0	-44.05	368.55	0.79	-43.26
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])S1	REAL300025569902	0	27	-1.0	-46.69	274.68	0.20	-46.49
CN1N=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025569903	0	25	-1.0	-39.23	257.80	-3.02	-42.25
O=C1N=C(CNS(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)[N-]O1	REAL300025569904	0	27	-1.0	-39.01	278.50	-0.93	-39.94
O=C1N=C(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)[N-]O1	REAL300025569904	1	26	-2.0	-94.78	278.08	-1.52	-96.30
O=C1N=C(CNS(=O)(=O)C2=CC3=NC(Cl)=CC=C3S2)[N-]O1	REAL300025569905	0	27	-1.0	-42.18	291.47	-1.11	-43.29
CN1CCC2=C(C=CC=C2S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569906	0	37	-1.0	-41.06	307.46	-1.46	-42.52
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569907	0	32	-1.0	-46.95	305.68	0.83	-46.12
O=C1N=C(CNS(=O)(=O)C2=CC=C3NC(=O)SC3=C2)[N-]O1	REAL300025569908	0	28	-1.0	-42.67	282.91	-2.89	-45.56
O=C1N=C(CNS(=O)(=O)C2=C3N=CC(Br)=CN3N=C2)[N-]O1	REAL300025569909	0	27	-1.0	-43.99	283.16	-1.48	-45.47
CCCC(C(=O)OCC)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569910	0	36	-1.0	-45.20	318.31	0.41	-44.79
O=C1N=C(CNS(=O)(=O)CCC2CC2(Cl)Cl)[N-]O1	REAL300025569911	0	28	-1.0	-45.05	289.28	-0.03	-45.08
O=C1N=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=N2)[N-]O1	REAL300025569912	0	26	-1.0	-42.04	265.11	-2.32	-44.36
CC(C)(C)NC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1N	REAL300025569913	0	41	-1.0	-43.77	337.19	-2.65	-46.42
O=C1N=C(C[N-]S(=O)(=O)C2=CC(C3=CC=C([N+](=O)[O-])C=C3)=NO2)[N-]O1	REAL300025569914	0	32	-2.0	-95.19	324.72	-0.10	-95.29
O=C1N=C(CNS(=O)(=O)C2=CC(C3=CC=C([N+](=O)[O-])C=C3)=NO2)[N-]O1	REAL300025569914	1	33	-1.0	-42.37	326.02	0.59	-41.78
O=C1N=C(CNS(=O)(=O)CC2=C(Cl)SC(Cl)=C2)[N-]O1	REAL300025569915	0	25	-1.0	-42.32	287.07	-0.27	-42.59
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)SC(Br)=C1	REAL300025569916	0	25	-1.0	-38.36	265.41	-0.78	-39.14
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C(F)=C2)[N-]O1	REAL300025569917	0	25	-1.0	-39.25	263.50	-0.52	-39.77
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=C2OCCCO3)[N-]O1	REAL300025569918	0	34	-1.0	-43.76	294.84	-0.78	-44.54
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569919	0	34	-1.0	-41.43	334.39	0.56	-40.87
O=C1N=C(CNS(=O)(=O)CC2=CC=C(Cl)C=C2)[N-]O1	REAL300025569920	0	28	-1.0	-44.20	281.38	0.15	-44.05
O=C1N=C(CNS(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)[N-]O1	REAL300025569921	0	40	-1.0	-43.72	355.53	-3.28	-47.00
COC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025569922	0	36	-1.0	-44.79	296.63	-3.29	-48.08
O=C1N=C(CNS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)[N-]O1	REAL300025569923	0	32	-1.0	-48.50	306.00	-3.22	-51.72
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=C2OCCC3)[N-]O1	REAL300025569924	0	33	-1.0	-43.92	284.25	0.09	-43.83
O=C1N=C(CNS(=O)(=O)CCCC2CCOCC2)[N-]O1	REAL300025569925	0	38	-1.0	-44.79	319.57	-1.02	-45.81
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569926	0	35	-1.0	-45.89	314.60	-2.11	-48.00
CCOC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569927	0	34	-1.0	-40.92	315.68	0.25	-40.67
O=C1N=C(CNS(=O)(=O)CCC2=CC=C(F)C=C2)[N-]O1	REAL300025569928	0	31	-1.0	-44.53	292.56	0.49	-44.04
COC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CCOC1	REAL300025569929	0	36	-1.0	-45.19	306.47	-2.89	-48.08
O=C1N=C(CNS(=O)(=O)CC2=CC(F)=CC=C2Br)[N-]O1	REAL300025569930	0	28	-1.0	-42.89	287.75	0.26	-42.63
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569931	0	29	-1.0	-40.02	288.45	-0.59	-40.61
COC1=CC2=C(C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1)C(=O)NCCC2	REAL300025569932	0	40	-1.0	-49.86	337.46	-2.17	-52.03
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)S2)C1	REAL300025569933	0	36	-1.0	-45.10	330.71	-0.65	-45.75
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)SC2=CC=C(C#N)C=C12	REAL300025569934	0	32	-1.0	-42.19	311.15	1.20	-40.99
O=C1N=C(CNS(=O)(=O)CCC2=NOC3=CC=CC=C32)[N-]O1	REAL300025569935	0	33	-1.0	-47.83	309.51	-0.23	-48.06
NC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(F)C=C1Br	REAL300025569936	0	29	-1.0	-41.25	289.93	-3.93	-45.18
NC(=O)C1=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C(F)C=C1Br	REAL300025569936	1	28	-2.0	-98.47	295.84	-4.30	-102.77
O=C1N=C(CNS(=O)(=O)CC2COC3=CC=CC=C3O2)[N-]O1	REAL300025569937	0	34	-1.0	-48.96	307.87	-0.87	-49.83
O=C1N=C(C[N-]S(=O)(=O)C2=NC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569938	0	25	-2.0	-117.78	257.94	-2.08	-119.86
O=C1N=C(CNS(=O)(=O)C2=NC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569938	1	26	-1.0	-50.66	258.82	-1.40	-52.06
CC(C)(C)OC(=O)N1CCOC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569939	0	46	-1.0	-48.65	381.80	-1.44	-50.09
CC(C)(C)OC(=O)N1CCOC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569940	0	46	-1.0	-48.65	381.80	-1.44	-50.09
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569941	0	50	-1.0	-40.89	421.24	3.85	-37.04
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569942	0	30	-1.0	-44.06	303.97	-0.90	-44.96
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569943	0	40	-1.0	-45.60	350.76	1.26	-44.34
O=C1N=C(CNS(=O)(=O)CC2=CC(F)=CC=C2Cl)[N-]O1	REAL300025569944	0	28	-1.0	-43.37	284.53	0.14	-43.23
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)[N-]O1	REAL300025569945	0	25	-1.0	-38.20	278.93	0.05	-38.15
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569946	0	35	-1.0	-42.04	326.06	1.09	-40.95
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569947	0	32	-1.0	-48.54	296.82	-3.64	-52.18
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C(F)=C2)[N-]O1	REAL300025569948	0	25	-1.0	-39.13	267.92	-0.43	-39.56
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569949	0	31	-1.0	-43.17	300.23	-0.40	-43.57
O=C1N=C(CNS(=O)(=O)CCC2CCC3=CC=CC=C32)[N-]O1	REAL300025569950	0	38	-1.0	-45.52	328.56	2.16	-43.36
CC(C)OC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCOC1	REAL300025569951	0	39	-1.0	-45.02	316.39	-2.41	-47.43
COC1=NSC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569952	0	28	-1.0	-45.19	281.97	-4.47	-49.66
O=C1N=C(CNS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CC3)[N-]O1	REAL300025569953	0	37	-1.0	-44.70	324.96	0.35	-44.35
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025569954	0	37	-1.0	-43.42	334.43	-1.17	-44.59
COC(=O)C1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N(C)N=C1	REAL300025569955	0	31	-1.0	-42.24	287.71	-2.12	-44.36
COC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025569956	0	36	-1.0	-45.32	325.63	-1.99	-47.31
O=C1N=C(CNS(=O)(=O)CC2(C(F)F)CCCC2)[N-]O1	REAL300025569957	0	34	-1.0	-42.60	287.27	0.26	-42.34
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2Br)[N-]O1	REAL300025569958	0	25	-1.0	-42.71	257.38	-0.35	-43.06
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569959	0	30	-1.0	-38.19	297.12	0.75	-37.44
COC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569960	0	33	-1.0	-42.11	322.80	-2.18	-44.29
O=C1N=C(CNS(=O)(=O)C2=CC=CC(Br)=C2)[N-]O1	REAL300025569961	0	25	-1.0	-41.05	262.19	-0.46	-41.51
CCOC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025569962	0	39	-1.0	-44.74	318.48	-2.34	-47.08
COC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL300025569963	0	35	-1.0	-43.43	318.45	-0.51	-43.94
O=C1N=C(CNS(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)[N-]O1	REAL300025569964	0	32	-1.0	-47.63	307.16	0.72	-46.91
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=CC=C12	REAL300025569965	0	37	-1.0	-42.79	331.99	1.77	-41.02
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025569966	0	31	-1.0	-43.18	298.49	-0.66	-43.84
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1F	REAL300025569966	1	30	-2.0	-106.58	304.40	-1.03	-107.61
CC(=O)N1CCC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=C(Cl)C=C21	REAL300025569967	0	36	-1.0	-50.04	321.46	-0.01	-50.05
CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569968	0	44	-1.0	-50.15	371.39	1.28	-48.87
CS(=O)(=O)N1CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569969	0	33	-1.0	-54.55	312.43	-5.29	-59.84
CCC(C)OC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569970	0	38	-1.0	-43.14	330.93	0.58	-42.56
COC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025569971	0	38	-1.0	-41.69	314.70	-0.82	-42.51
COC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025569972	0	41	-1.0	-41.75	331.66	-0.28	-42.03
O=C1N=C(CNS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)[N-]O1	REAL300025569973	0	38	-1.0	-40.72	341.87	1.24	-39.48
O=C1N=C(CNS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)[N-]O1	REAL300025569974	0	39	-1.0	-43.87	358.38	2.27	-41.60
CC1=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)S1	REAL300025569975	0	34	-1.0	-45.19	321.14	0.54	-44.65
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569976	0	30	-1.0	-45.25	285.04	1.10	-44.15
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C=C1F	REAL300025569976	1	29	-2.0	-108.31	284.79	0.57	-107.74
CCC1=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN1CC1CC1	REAL300025569977	0	38	-1.0	-46.39	337.58	1.00	-45.39
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569978	0	31	-1.0	-45.46	306.34	1.05	-44.41
COC(=O)C1=C(C)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025569979	0	31	-1.0	-40.93	298.33	-1.71	-42.64
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)O1	REAL300025569979	1	30	-2.0	-100.29	297.02	-2.40	-102.69
CC(=O)N1CC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025569980	0	36	-1.0	-48.06	325.89	-0.51	-48.57
O=C1N=C(CNS(=O)(=O)C2=CN=C(C3CC3)S2)[N-]O1	REAL300025569981	0	28	-1.0	-40.54	280.64	-1.58	-42.12
CCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(C)C	REAL300025569982	0	44	-1.0	-40.98	372.35	1.97	-39.01
COC1=CC(F)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569983	0	29	-1.0	-40.92	267.76	-1.20	-42.12
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1[N+](=O)[O-]	REAL300025569984	0	33	-1.0	-42.97	304.86	1.26	-41.71
CC(C)(C)OC(=O)N1CC(OC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569985	0	39	-1.0	-41.55	331.73	-0.07	-41.62
O=C1N=C(CNS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)[N-]O1	REAL300025569986	0	28	-1.0	-49.47	290.36	-1.28	-50.75
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569987	0	28	-1.0	-38.49	282.51	-2.47	-40.96
O=C1N=C(CNS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)[N-]O1	REAL300025569988	0	36	-1.0	-42.33	341.53	3.01	-39.32
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569989	0	28	-1.0	-37.79	283.45	0.37	-37.42
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)N=C2F)[N-]O1	REAL300025569990	0	24	-1.0	-41.18	251.08	-2.82	-44.00
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)[N-]O1	REAL300025569990	1	23	-2.0	-100.79	256.96	-3.16	-103.95
O=C1N=C(CNS(=O)(=O)CC2=C(Br)SC=N2)[N-]O1	REAL300025569991	0	24	-1.0	-44.65	269.14	-2.73	-47.38
CS(=O)(=O)N1CCC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569992	0	36	-1.0	-52.92	325.93	-4.46	-57.38
CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569993	0	42	-1.0	-46.49	349.34	0.43	-46.06
O=C1N=C(CNS(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)[N-]O1	REAL300025569994	0	26	-1.0	-40.94	286.05	-1.98	-42.92
CC1=CC2=NNC=C2C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569995	0	31	-1.0	-46.83	280.89	-1.43	-48.26
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C2C=NNC2=C1	REAL300025569995	1	31	-1.0	-41.51	282.64	-1.57	-43.08
O=C1N=C(CNS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)[N-]O1	REAL300025569996	0	35	-1.0	-45.47	307.01	2.32	-43.15
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1OCC1=CC=CC=C1	REAL300025569997	0	45	-1.0	-42.14	393.95	3.71	-38.43
CC1=CC=C(Br)C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569998	0	31	-1.0	-43.67	302.78	0.85	-42.82
COC1=CC=CC(Br)=C1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569999	0	32	-1.0	-45.72	309.57	-0.44	-46.16
O=C1N=C(CNS(=O)(=O)CCC2=C(F)C=CC=C2F)[N-]O1	REAL300025570000	0	31	-1.0	-45.29	296.79	0.48	-44.81
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1F	REAL300025570001	0	28	-1.0	-43.04	265.82	-0.62	-43.66
CCOC(=O)C1=NOC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570002	0	33	-1.0	-48.41	318.60	-1.30	-49.71
N#CC1=CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025570003	0	26	-1.0	-46.76	275.47	-0.88	-47.64
O=C(NCC1=NC(=O)O[N-]1)OCC1=CC=C(Br)C=C1	REAL300025570004	0	28	-1.0	-35.07	279.34	1.94	-33.13
O=C(NC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1)C(F)(F)F	REAL300025570005	0	32	-1.0	-48.33	316.42	-1.78	-50.11
COC(=O)C1=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)OC=C1	REAL300025570006	0	27	-2.0	-111.52	271.72	-2.31	-113.83
COC(=O)C1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)OC=C1	REAL300025570006	1	28	-1.0	-46.77	273.02	-1.62	-48.39
CCC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C)C=C1OC	REAL300025570007	0	38	-1.0	-40.53	327.62	0.49	-40.04
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)[N-]O1	REAL300025570008	0	31	-1.0	-39.50	312.12	0.79	-38.71
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570009	0	33	-1.0	-45.13	311.38	-0.09	-45.22
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=N1	REAL300025570010	0	26	-2.0	-115.99	266.68	-2.77	-118.76
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025570010	1	27	-1.0	-49.34	267.99	-2.09	-51.43
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570011	0	28	-1.0	-37.64	292.57	0.78	-36.86
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C=C1	REAL300025570012	0	34	-1.0	-43.75	292.33	2.02	-41.73
O=C(NC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025570013	0	32	-1.0	-40.65	310.72	-1.21	-41.86
O=C1N=C(CNS(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)[N-]O1	REAL300025570014	0	29	-1.0	-41.34	290.64	-2.93	-44.27
O=C1N=C(CNS(=O)(=O)C2=CC([O-])=CC(C(F)(F)F)=C2)[N-]O1	REAL300025570014	1	28	-2.0	-82.81	287.08	-2.17	-84.98
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570015	0	29	-1.0	-42.12	278.82	0.19	-41.93
CCCCN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL300025570016	0	37	-1.0	-43.10	331.04	-0.40	-43.50
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(OC)C=C1F	REAL300025570017	0	35	-1.0	-43.13	320.64	-0.57	-43.70
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570018	0	35	-1.0	-48.43	314.45	-0.28	-48.71
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570019	0	38	-1.0	-47.20	338.67	0.92	-46.28
O=C1N=C(CNS(=O)(=O)CC23CC[N@H+](C2)CCC3)[N-]O1	REAL300025570020	0	38	0.0	-71.35	296.62	-0.46	-71.81
O=C1N=C(CNS(=O)(=O)CC23CC[N@@H+](C2)CCC3)[N-]O1	REAL300025570020	1	38	0.0	-71.59	296.61	-0.47	-72.06
COC(=O)C1CCC(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025570021	0	37	-1.0	-45.92	321.04	-0.06	-45.98
O=C1N=C(CNS(=O)(=O)C2(COCC3=CC=CC=C3)CC2)[N-]O1	REAL300025570022	0	39	-1.0	-50.43	346.64	0.76	-49.67
CC1=NN(CCS(=O)(=O)NCC2=NC(=O)O[N-]2)C(=O)O1	REAL300025570023	0	30	-1.0	-48.90	290.08	-5.08	-53.98
COC1=C(F)C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570024	0	29	-1.0	-41.67	265.57	-0.98	-42.65
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(C)C	REAL300025570025	0	41	-1.0	-41.30	350.85	1.17	-40.13
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025570026	0	37	-1.0	-40.24	319.14	1.16	-39.08
O=C1N=C(CNS(=O)(=O)CC2=CC=C(F)C=C2Cl)[N-]O1	REAL300025570027	0	28	-1.0	-43.02	284.54	0.14	-42.88
O=C1N=C(CNS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)[N-]O1	REAL300025570028	0	44	-1.0	-44.24	366.51	3.44	-40.80
COC(=O)C1=CC=C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570029	0	34	-1.0	-47.38	319.46	0.30	-47.08
O=C1N=C(C[N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)[N-]O1	REAL300025570030	0	27	-2.0	-107.95	288.27	-0.69	-108.64
O=C1N=C(CNS(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)[N-]O1	REAL300025570030	1	28	-1.0	-41.46	287.48	-0.04	-41.50
CN1N=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025570031	0	28	-1.0	-41.16	273.54	-2.36	-43.52
CN1N=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025570031	1	27	-2.0	-99.67	272.73	-3.13	-102.80
O=C1N=C(CNS(=O)(=O)C2=NC3=CC=CC=C3C=C2)[N-]O1	REAL300025570032	0	30	-1.0	-45.49	280.20	-0.61	-46.10
CN1N=C2CCCCC2=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570034	0	35	-1.0	-39.91	299.87	-1.06	-40.97
O=C1N=C(CNS(=O)(=O)C2=CSC=C2Br)[N-]O1	REAL300025570035	0	22	-1.0	-40.69	237.95	-2.02	-42.71
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C(C)(C)C)=N1	REAL300025570036	0	37	-1.0	-42.84	311.30	-0.85	-43.69
O=C1N=C(CNS(=O)(=O)C2=CN(C3CCCC3)N=C2)[N-]O1	REAL300025570037	0	35	-1.0	-42.38	308.30	-0.74	-43.12
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570038	0	28	-1.0	-38.28	266.11	-2.45	-40.73
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570039	0	43	-1.0	-46.25	384.23	0.66	-45.59
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Br)=N1	REAL300025570040	0	25	-1.0	-43.49	256.14	-3.30	-46.79
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)[N-]O1	REAL300025570041	0	27	-1.0	-41.95	275.87	-1.98	-43.93
CS(=O)(=NS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025570042	0	37	-2.0	-130.42	325.94	-2.38	-132.80
CS(=O)(=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025570042	1	37	-2.0	-130.42	325.94	-2.38	-132.80
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)[N-]O1	REAL300025570043	0	29	-2.0	-106.60	302.37	-0.23	-106.83
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)[N-]O1	REAL300025570043	1	29	-2.0	-106.60	302.37	-0.23	-106.83
O=C1N=C(CNS(=O)(=O)C2=CC=CC(Br)=N2)[N-]O1	REAL300025570044	0	24	-1.0	-45.09	258.19	-2.48	-47.57
O=C1N=C(CNS(=O)(=O)CCCC2=CC=C(C(F)(F)F)C=C2)[N-]O1	REAL300025570045	0	37	-1.0	-46.46	346.39	2.20	-44.26
COC1=CC=C(F)C=C1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570046	0	32	-1.0	-45.76	299.23	-0.93	-46.69
O=C(C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1F)N1CCCC1	REAL300025570047	0	39	-1.0	-44.30	346.79	0.12	-44.18
C=CCCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570048	0	35	-1.0	-41.12	318.11	1.70	-39.42
COC(=O)C1=CNN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570049	0	27	-2.0	-117.74	270.58	-4.09	-121.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570049	1	27	-2.0	-117.74	270.58	-4.09	-121.83
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570050	0	28	-1.0	-37.55	292.57	0.78	-36.77
CC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025570051	0	30	-1.0	-47.65	288.20	-0.52	-48.17
O=C1N=C(CNS(=O)(=O)CC2CC3(CCC3)CO2)[N-]O1	REAL300025570052	0	36	-1.0	-45.83	308.31	-1.14	-46.97
CS(=O)(=O)CCCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570053	0	33	-1.0	-54.41	311.38	-4.28	-58.69
CC1(C)CCC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)OC1	REAL300025570054	0	38	-1.0	-44.95	315.61	-0.94	-45.89
COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025570055	0	34	-1.0	-48.09	302.34	-0.73	-48.82
O=C1N=C(CNS(=O)(=O)CC2=C(Cl)SC=N2)[N-]O1	REAL300025570056	0	24	-1.0	-45.10	264.89	-2.82	-47.92
CC(C)(C)S(C)(=O)=NS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570057	0	33	-2.0	-130.13	303.15	-3.73	-133.86
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570057	1	33	-2.0	-130.13	303.15	-3.73	-133.86
CCCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(C)C	REAL300025570058	0	47	-1.0	-40.95	393.85	2.75	-38.20
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)[N-]O1	REAL300025570059	0	28	-1.0	-40.93	277.58	-0.18	-41.11
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=C3CCCC(=O)NC3=C2)[N-]O1	REAL300025570060	0	36	-1.0	-45.05	318.16	-0.90	-45.95
CN(C)S(=O)(=NS(=O)(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025570061	0	36	-2.0	-131.20	340.98	-2.14	-133.34
CN(C)S(=O)(=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025570061	1	36	-2.0	-131.20	340.98	-2.14	-133.34
O=C1N=C(CNS(=O)(=O)C=CC2=CC=CC(Cl)=C2)[N-]O1	REAL300025570062	0	29	-1.0	-41.75	289.55	0.62	-41.13
CCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(C)(C)C	REAL300025570063	0	47	-1.0	-40.64	384.91	2.64	-38.00
CCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1CC	REAL300025570064	0	41	-1.0	-40.95	355.43	1.43	-39.52
N#CCCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570065	0	32	-1.0	-46.45	304.65	0.88	-45.57
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570066	0	31	-1.0	-38.27	283.72	0.91	-37.36
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570067	0	39	-1.0	-51.67	333.12	-1.39	-53.06
O=C1N=C(CNS(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)[N-]O1	REAL300025570068	0	35	-1.0	-49.64	323.01	0.84	-48.80
O=C1N=C(CNS(=O)(=O)CC2=CC=CC(Cl)=C2Br)[N-]O1	REAL300025570069	0	28	-1.0	-44.36	296.20	0.63	-43.73
O=C1N=C(CNS(=O)(=O)CC2=CC=CC(F)=C2Br)[N-]O1	REAL300025570070	0	28	-1.0	-45.02	287.08	0.22	-44.80
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570071	0	31	-1.0	-43.45	300.29	0.89	-42.56
CC1(C)CCCC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025570072	0	38	-1.0	-45.66	313.57	-0.90	-46.56
CC1=CN=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570073	0	27	-1.0	-42.01	259.29	-2.24	-44.25
CCOC(=O)C1=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C2C=CC=CN12	REAL300025570074	0	37	-1.0	-48.04	341.91	0.64	-47.40
O=C1N=C(CNS(=O)(=O)CCCS(=O)(=O)C(F)(F)F)[N-]O1	REAL300025570075	0	30	-1.0	-52.67	309.52	-4.46	-57.13
COC1=CC=C(Br)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025570076	0	28	-2.0	-110.64	288.55	-1.52	-112.16
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1F	REAL300025570076	1	28	-2.0	-110.64	288.55	-1.52	-112.16
CN1C=CC2=CC=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=C21	REAL300025570077	0	32	-1.0	-44.37	279.58	0.47	-43.90
O=C1N=C(CNS(=O)(=O)C2=C(C3OCCO3)C=CS2)[N-]O1	REAL300025570078	0	31	-1.0	-43.86	293.89	-2.48	-46.34
O=C1N=C(CNS(=O)(=O)CCC(C2=CC=CC=C2)C(F)(F)F)[N-]O1	REAL300025570079	0	37	-1.0	-44.86	338.52	1.83	-43.03
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570080	0	35	-1.0	-44.63	315.44	1.23	-43.40
CCOC(=O)C1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N(C)N=C1	REAL300025570081	0	34	-1.0	-41.95	309.57	-1.20	-43.15
O=C1N=C(CNS(=O)(=O)C=CC2=CC=CC=C2Cl)[N-]O1	REAL300025570082	0	29	-1.0	-43.14	287.06	0.53	-42.61
O=C1N=C(CNS(=O)(=O)CC2CCC(C(F)(F)F)O2)[N-]O1	REAL300025570083	0	32	-1.0	-50.11	299.91	-1.59	-51.70
COC(=O)C1=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C(F)C(F)=C1F	REAL300025570084	0	31	-1.0	-39.59	304.61	-0.58	-40.17
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(F)C(F)=C1F	REAL300025570084	1	31	-1.0	-39.59	304.61	-0.58	-40.17
O=C1N=C(CNS(=O)(=O)CC2CCCC(C(F)(F)F)O2)[N-]O1	REAL300025570085	0	35	-1.0	-48.93	317.56	-0.67	-49.60
O=C1N=C(CNS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)[N-]O1	REAL300025570086	0	35	-1.0	-46.54	324.19	1.82	-44.72
CC(C)(C)OC(=O)N1CCCC(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025570087	0	45	-1.0	-47.70	369.39	-0.06	-47.76
O=C1N=C(CNS(=O)(=O)CC2=NOC(C3CC3)=N2)[N-]O1	REAL300025570088	0	30	-1.0	-47.32	287.85	-3.37	-50.69
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570089	0	31	-1.0	-44.05	297.29	-0.38	-44.43
O=C1N=C(CNS(=O)(=O)CC2=CC=CC3=NSN=C32)[N-]O1	REAL300025570090	0	29	-1.0	-48.39	288.87	-2.05	-50.44
COC(=O)C1=CN2C=NC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025570091	0	34	-1.0	-47.35	321.66	0.91	-46.44
CO[C@H]1C2=CC=CC=C2CC[C@@H]1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570092	0	39	-1.0	-43.10	333.55	0.57	-42.53
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(C(N)=O)O1	REAL300025570093	0	29	-1.0	-43.71	282.15	-5.52	-49.23
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)OC	REAL300025570094	0	37	-1.0	-45.89	346.60	0.55	-45.34
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570095	0	38	-1.0	-42.12	342.05	-0.29	-42.41
O=C1N=C(CNS(=O)(=O)CC2=NOC3=C2CCCC3)[N-]O1	REAL300025570096	0	34	-1.0	-47.34	303.04	-0.37	-47.71
O=C1N=C(CNS(=O)(=O)C2=CSC=C2C(F)F)[N-]O1	REAL300025570097	0	25	-1.0	-41.89	255.37	-0.90	-42.79
COC(=O)C1=CC=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570098	0	30	-1.0	-46.07	291.90	-2.30	-48.37
O=C1N=C(CNS(=O)(=O)CCC2=CC=CC(F)=C2)[N-]O1	REAL300025570099	0	31	-1.0	-44.99	292.57	0.48	-44.51
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570100	0	41	-1.0	-42.91	358.93	1.82	-41.09
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=CC=NC=C32)[N-]O1	REAL300025570101	0	30	-1.0	-47.26	277.10	-0.55	-47.81
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025570102	0	45	-1.0	-49.21	367.44	1.35	-47.86
COC(=O)C1=CN(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570103	0	32	-1.0	-45.13	302.32	-0.89	-46.02
O=C1N=C(CNS(=O)(=O)CCCC2CCCCC2)[N-]O1	REAL300025570104	0	40	-1.0	-43.41	328.44	1.36	-42.05
O=C1N=C(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CN=C2Cl)[N-]O1	REAL300025570105	0	25	-2.0	-92.76	276.26	-2.39	-95.15
O=C1N=C(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CN=C2Cl)[N-]O1	REAL300025570105	1	25	-2.0	-92.76	276.26	-2.39	-95.15
O=C1N=C(CNS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)[N-]O1	REAL300025570106	0	42	-1.0	-43.41	317.89	1.81	-41.60
O=C1N=C(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=N2)[N-]O1	REAL300025570107	0	26	-1.0	-43.56	265.27	-2.28	-45.84
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1	REAL300025570108	0	28	-1.0	-39.74	295.46	-1.81	-41.55
COC(=O)C1=C(Cl)OC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570108	1	28	-1.0	-39.74	295.46	-1.81	-41.55
O=C1N=C(CNS(=O)(=O)CC2=CC3=NON=C3C=C2)[N-]O1	REAL300025570109	0	29	-1.0	-47.08	279.86	-1.61	-48.69
N#CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025570110	0	26	-1.0	-44.85	262.03	-0.74	-45.59
O=C1N=C(CNS(=O)(=O)C2=CC=C3SC=NC3=C2)[N-]O1	REAL300025570111	0	27	-1.0	-44.02	271.85	-1.69	-45.71
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(Br)=C2F)[N-]O1	REAL300025570112	0	24	-2.0	-99.75	271.41	-1.05	-100.80
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2F)[N-]O1	REAL300025570112	1	24	-2.0	-99.75	271.41	-1.05	-100.80
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=NN1	REAL300025570113	0	27	-2.0	-83.82	275.70	-4.36	-88.18
COC(=O)C1=N[N-]C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570113	1	27	-2.0	-83.80	275.81	-4.35	-88.15
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N[N-]1	REAL300025570113	1	27	-2.0	-83.80	275.81	-4.35	-88.15
O=C1N=C(CNS(=O)(=O)CC2CCC(C3CC3)O2)[N-]O1	REAL300025570114	0	36	-1.0	-47.53	313.24	-0.43	-47.96
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570115	0	34	-1.0	-48.87	313.83	-0.20	-49.07
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025570116	0	39	-1.0	-43.06	336.42	-1.00	-44.06
O=C(C1CC1)N1CCC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025570117	0	40	-1.0	-53.15	351.59	1.57	-51.58
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025570118	0	39	-1.0	-55.14	341.72	0.85	-54.29
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025570119	0	40	-1.0	-41.48	369.76	2.78	-38.70
O=C1N=C(CNS(=O)(=O)C2=CC=NN2CC2CCC2)[N-]O1	REAL300025570120	0	35	-1.0	-39.71	310.10	-0.47	-40.18
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025570121	0	37	-1.0	-43.14	331.69	1.79	-41.35
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570122	0	38	-1.0	-47.06	337.94	0.32	-46.74
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570123	0	35	-1.0	-47.53	314.51	-0.28	-47.81
O=C1N=C(CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)[N-]O1	REAL300025570124	0	30	-1.0	-45.16	292.02	-2.07	-47.23
O=C1N=C(CNS(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)[N-]O1	REAL300025570124	1	30	-1.0	-45.16	292.02	-2.07	-47.23
CC1(C)COC2=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=NN2C1	REAL300025570125	0	36	-1.0	-43.80	311.81	-3.04	-46.84
O=C1N=C(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)[N-]O1	REAL300025570126	0	31	-1.0	-41.58	307.74	-0.18	-41.76
O=C1N=C(CNS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)[N-]O1	REAL300025570127	0	31	-1.0	-44.31	291.62	-3.85	-48.16
O=C1N=C(C[N-]S(=O)(=O)C2=C(Br)C=CO2)[N-]O1	REAL300025570128	0	22	-1.0	-41.52	241.56	-2.36	-43.88
O=C1N=C(CNS(=O)(=O)C2=C(Br)C=CO2)[N-]O1	REAL300025570128	1	22	-1.0	-41.52	241.56	-2.36	-43.88
COC1=C(F)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025570129	0	29	-1.0	-39.31	286.78	-1.54	-40.85
COC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025570130	0	29	-1.0	-40.86	274.90	-1.96	-42.82
CCCCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(C)C	REAL300025570131	0	50	-1.0	-40.88	415.35	3.53	-37.35
COC1=CC(C(C)C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025570132	0	41	-1.0	-41.20	344.37	1.04	-40.16
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570133	0	35	-1.0	-42.68	307.54	0.34	-42.34
CCOCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(C)C	REAL300025570134	0	48	-1.0	-43.12	406.33	1.39	-41.73
O=C1N=C(CNS(=O)(=O)CC2CCC3(CCC3)O2)[N-]O1	REAL300025570135	0	36	-1.0	-47.03	308.95	-0.89	-47.92
CN1N=CC(C2OCCO2)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570136	0	34	-1.0	-41.48	302.98	-3.41	-44.89
O=C1N=C(CNS(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)[N-]O1	REAL300025570137	0	30	-2.0	-100.81	312.05	-0.15	-100.96
O=C1N=C(C[N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)[N-]O1	REAL300025570137	1	30	-2.0	-100.81	312.05	-0.15	-100.96
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CS(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025570138	0	48	-1.0	-47.97	393.15	-0.73	-48.70
O=C1N=C(CNS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)[N-]O1	REAL300025570139	0	34	-1.0	-47.81	293.50	-3.64	-51.45
COC1=CC=CC([O-])=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570140	0	30	-1.0	-47.04	275.52	-2.55	-49.59
COC1=CC=CC(O)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570140	1	30	-1.0	-47.04	275.52	-2.55	-49.59
CC1=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025570141	0	33	-2.0	-113.87	313.91	-2.56	-116.43
CC1=NC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025570141	1	33	-2.0	-113.87	313.91	-2.56	-116.43
CC1CC2=CC=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=C2O1	REAL300025570142	0	33	-1.0	-44.80	291.56	-0.47	-45.27
CC(C)(C)C1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025570143	0	33	-1.0	-40.25	309.58	-1.42	-41.67
N#CC1(C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025570144	0	33	-1.0	-45.76	309.13	1.13	-44.63
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570145	0	28	-2.0	-105.84	279.57	-1.08	-106.92
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570145	1	28	-2.0	-105.84	279.57	-1.08	-106.92
CC1=C(Br)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025570146	0	28	-1.0	-39.59	285.14	0.29	-39.30
CC1=CC(Cl)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025570147	0	28	-1.0	-41.33	286.61	0.91	-40.42
O=C1N=C(CNS(=O)(=O)CC2=NN(CC(F)(F)F)C=C2)[N-]O1	REAL300025570148	0	31	-1.0	-53.29	306.94	-1.34	-54.63
O=C1N=C(CNS(=O)(=O)C2=CN=C(C3OCCO3)S2)[N-]O1	REAL300025570149	0	29	-2.0	-103.05	295.50	-5.00	-108.05
O=C1N=C(C[N-]S(=O)(=O)C2=CN=C(C3OCCO3)S2)[N-]O1	REAL300025570149	1	29	-2.0	-103.05	295.50	-5.00	-108.05
O=C1N=C(CNS(=O)(=O)C2=CN=C(F)C(Cl)=C2)[N-]O1	REAL300025570150	0	24	-1.0	-38.56	258.52	-2.44	-41.00
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL300025570151	0	30	-1.0	-44.84	291.84	-2.25	-47.09
COC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025570152	0	31	-1.0	-47.19	307.13	0.15	-47.04
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025570153	0	42	-1.0	-51.87	349.55	0.96	-50.91
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)[N-]O1	REAL300025570154	0	31	-1.0	-44.12	292.96	-0.53	-44.65
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025570155	0	39	-1.0	-54.15	340.33	0.53	-53.62
CN1N=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570156	0	25	-1.0	-38.47	262.86	-2.96	-41.43
O=C1N=C(CNS(=O)(=O)CC2=CSC([N+](=O)[O-])=C2)[N-]O1	REAL300025570157	0	27	-1.0	-48.41	284.70	-0.58	-48.99
O=C1N=C(CNS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)[N-]O1	REAL300025570158	0	38	-1.0	-43.10	308.47	0.92	-42.18
O=C1N=C(CNS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)[N-]O1	REAL300025570159	0	27	-1.0	-39.50	275.04	-1.89	-41.39
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570160	0	30	-1.0	-49.94	281.58	-1.47	-51.41
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025570161	0	35	-1.0	-42.07	339.48	0.11	-41.96
O=C1N=C(CNS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)[N-]O1	REAL300025570162	0	29	-1.0	-43.49	288.74	-0.85	-44.34
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=CC=C3S2)[N-]O1	REAL300025570163	0	28	-1.0	-41.94	279.75	0.34	-41.60
O=C1N=C(CNS(=O)(=O)C2=CNC3=C(Br)C=CC=C23)[N-]O1	REAL300025570164	0	29	-1.0	-42.47	288.76	-0.86	-43.33
O=C1N=C(CNS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)[N-]O1	REAL300025570165	0	28	-1.0	-49.95	285.80	-1.38	-51.33
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1F	REAL300025570166	0	34	-1.0	-39.30	289.02	0.94	-38.36
COC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL300025570167	0	33	-1.0	-43.37	288.56	-1.29	-44.66
O=C1N=C(CNS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)[N-]O1	REAL300025570168	0	34	-1.0	-48.48	309.22	-3.86	-52.34
N#CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025570169	0	26	-1.0	-41.00	281.42	-0.18	-41.18
COC1=CC=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL300025570170	0	33	-1.0	-44.57	300.32	-0.77	-45.34
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1	REAL300025570171	0	28	-1.0	-39.62	299.53	-1.71	-41.33
COC(=O)C1=C(Br)OC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570171	1	28	-1.0	-39.62	299.53	-1.71	-41.33
O=C1N=C(CNS(=O)(=O)C2=CC=C(I)S2)[N-]O1	REAL300025570172	0	22	-1.0	-38.59	261.04	-0.89	-39.48
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C2CCCC2)=N1	REAL300025570173	0	38	-1.0	-42.67	315.41	-0.81	-43.48
N#CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2S1	REAL300025570174	0	29	-1.0	-42.96	291.75	0.84	-42.12
NC1=CC=CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C12	REAL300025570175	0	33	-1.0	-43.13	298.57	-0.85	-43.98
O=C1N=C(CNS(=O)(=O)CCC2NC(=O)NC2=O)[N-]O1	REAL300025570176	0	30	-1.0	-51.84	284.74	-7.19	-59.03
O=C1N=C(CNS(=O)(=O)CCCCC(F)(F)F)[N-]O1	REAL300025570177	0	30	-1.0	-45.27	287.38	-0.67	-45.94
CN1C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCS1(=O)=O	REAL300025570178	0	33	-1.0	-56.16	292.20	-5.00	-61.16
CC1(C)COCC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025570179	0	36	-1.0	-46.90	306.70	-2.38	-49.28
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC(F)F)C=C2)[N-]O1	REAL300025570180	0	29	-1.0	-43.01	280.14	-1.50	-44.51
O=C1N=C(CNS(=O)(=O)C2=CNC3=CC=C(Br)C=C23)[N-]O1	REAL300025570181	0	29	-1.0	-45.80	288.83	-0.84	-46.64
O=C1N=C(CNS(=O)(=O)C2=C(F)C=CC3=C2OCO3)[N-]O1	REAL300025570182	0	27	-2.0	-111.37	269.03	-2.54	-113.91
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)[N-]O1	REAL300025570182	1	27	-2.0	-111.37	269.03	-2.54	-113.91
CN1N=NC2=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025570183	0	30	-1.0	-51.99	279.23	-2.68	-54.67
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[N-]O1	REAL300025570184	0	25	-2.0	-83.14	272.14	-1.44	-84.58
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025570185	0	31	-1.0	-39.90	295.10	1.01	-38.89
O=C1N=C(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2[N+](=O)[O-])[N-]O1	REAL300025570186	0	27	-1.0	-42.18	271.00	0.52	-41.66
O=C1N=C(CNS(=O)(=O)C2=CC(F)=C(F)C=C2[N+](=O)[O-])[N-]O1	REAL300025570186	1	27	-1.0	-42.18	271.00	0.52	-41.66
O=C1N=C(CNS(=O)(=O)C2=CN=C3SC=CN23)[N-]O1	REAL300025570187	0	25	-1.0	-45.44	254.25	-1.82	-47.26
N#CC1(OCCS(=O)(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025570188	0	37	-1.0	-46.37	324.99	-3.36	-49.73
CC(C)(CCS(=O)(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025570189	0	33	-1.0	-44.91	296.43	-0.64	-45.55
CCOC(=O)[C@@H]1CCC[C@@H](CS(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025570190	0	41	-1.0	-51.87	349.44	0.08	-51.79
COC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CCCOC1	REAL300025570191	0	39	-1.0	-44.49	326.57	-2.61	-47.10
CC(F)(F)C1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025570192	0	38	-1.0	-45.64	303.14	-1.33	-46.97
O=C1N=C(CNS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)[N-]O1	REAL300025570193	0	31	-1.0	-40.84	309.13	0.04	-40.80
O=C1N=C(CNS(=O)(=O)C2=C3C=COC3=C(F)C=C2)[N-]O1	REAL300025570194	0	28	-1.0	-41.78	263.83	-1.21	-42.99
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C2CCC2)=N1	REAL300025570195	0	35	-1.0	-42.72	298.33	-1.30	-44.02
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570196	0	43	-1.0	-41.24	355.14	2.91	-38.33
O=C1N=C(CNS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)[N-]O1	REAL300025570197	0	31	-1.0	-41.55	312.11	0.79	-40.76
O=C1N=C(CNS(=O)(=O)C2=CN(CC3CCC3)N=C2)[N-]O1	REAL300025570198	0	35	-1.0	-43.90	314.89	-0.44	-44.34
O=C1N=C(CNS(=O)(=O)C2=C(C3CC3)C=CS2)[N-]O1	REAL300025570199	0	29	-1.0	-41.90	272.46	-0.11	-42.01
CC(C)(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025570200	0	30	-1.0	-40.33	271.09	-0.93	-41.26
CC1(C)C2CCC1(CS(=O)(=O)NCC1=NC(=O)O[N-]1)CC2	REAL300025570201	0	41	-1.0	-42.93	320.61	1.08	-41.85
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)[N-]O1	REAL300025570202	0	36	-1.0	-42.76	331.67	1.77	-40.99
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570203	0	38	-1.0	-49.09	330.70	-2.68	-51.77
COC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL300025570204	0	34	-1.0	-52.80	306.33	0.13	-52.67
CC(C)(C)OC(=O)NCCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570205	0	41	-1.0	-47.94	352.76	-2.83	-50.77
COC(=O)C1=NN(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570206	0	31	-1.0	-41.51	297.18	-2.74	-44.25
COC(=O)C1=C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL300025570207	0	31	-1.0	-48.76	304.63	-0.55	-49.31
O=C1N=C(CNS(=O)(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2)[N-]O1	REAL300025570208	0	32	-1.0	-43.53	312.89	1.67	-41.86
O=C1N=C(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025570209	0	29	-1.0	-39.58	297.35	0.26	-39.32
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025570210	0	37	-1.0	-43.64	341.57	1.82	-41.82
O=C1N=C(CNS(=O)(=O)C2=CC=CC(C(F)(F)CC(F)(F)F)=C2)[N-]O1	REAL300025570211	0	34	-1.0	-44.45	329.92	1.51	-42.94
CC(C)(C)N1N=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570212	0	34	-1.0	-39.11	286.82	-1.07	-40.18
CC(C)(C)N1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025570213	0	34	-1.0	-43.25	305.42	-1.38	-44.63
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN=C1C(F)(F)F	REAL300025570214	0	30	-1.0	-40.40	291.90	-1.26	-41.66
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025570215	0	36	-1.0	-41.12	315.18	-0.29	-41.41
O=C1N=C(CNS(=O)(=O)C2CCC(C(F)F)CC2)[N-]O1	REAL300025570216	0	34	-1.0	-43.90	298.00	0.10	-43.80
N#CC(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL300025570217	0	36	-1.0	-50.33	313.36	-1.72	-52.05
O=C1N=C(CNS(=O)(=O)C2CCOC(C(F)(F)F)C2)[N-]O1	REAL300025570218	0	32	-1.0	-45.98	296.59	-1.97	-47.95
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)[N-]O1	REAL300025570219	0	28	-1.0	-38.80	286.04	-0.01	-38.81
O=C1N=C(CNS(=O)(=O)C2=C(C(F)(F)F)SC=C2)[N-]O1	REAL300025570220	0	25	-1.0	-42.27	261.83	-0.57	-42.84
O=C1N=C(CNS(=O)(=O)C2=CSC(C(F)(F)F)=C2)[N-]O1	REAL300025570221	0	25	-1.0	-39.41	272.65	-0.99	-40.40
CC(=O)NCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570222	0	35	-1.0	-45.68	323.10	-2.06	-47.74
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025570223	0	21	-2.0	-98.81	243.97	-3.04	-101.85
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025570223	1	21	-2.0	-98.81	243.97	-3.04	-101.85
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)[N-]O1	REAL300025570224	0	28	-1.0	-38.97	292.80	0.34	-38.63
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2C(F)F)[N-]O1	REAL300025570225	0	28	-1.0	-42.28	265.10	0.15	-42.13
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570226	0	36	-1.0	-49.07	325.49	0.95	-48.12
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=CC=C3CCC2)[N-]O1	REAL300025570227	0	36	-1.0	-41.53	309.56	1.99	-39.54
CC1(C)OC(=O)C2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025570228	0	35	-1.0	-47.25	321.14	0.60	-46.65
O=C1N=C(CNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)[N-]O1	REAL300025570229	0	31	-1.0	-40.81	303.36	-0.05	-40.86
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570230	0	30	-1.0	-42.42	291.92	-0.58	-43.00
CC(=O)OCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570231	0	34	-1.0	-44.33	319.32	0.57	-43.76
O=C1N=C(CNS(=O)(=O)CC2=NOC3=C2COCC3)[N-]O1	REAL300025570232	0	32	-1.0	-48.00	293.96	-2.73	-50.73
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570233	0	35	-1.0	-40.75	337.09	-0.31	-41.06
O=C1N=C(CNS(=O)(=O)CC2C3CC4CC(C3)CC2C4)[N-]O1	REAL300025570234	0	42	-1.0	-42.74	317.54	1.54	-41.20
CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025570235	0	47	-1.0	-51.24	380.35	-0.16	-51.40
N#CC1(OCCS(=O)(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025570236	0	33	-1.0	-46.26	305.06	-1.90	-48.16
CCOC(=O)C(C)(C)CCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570237	0	39	-1.0	-48.18	337.02	0.06	-48.12
CN1C=C(Br)C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025570238	0	28	-1.0	-47.92	288.39	-2.10	-50.02
COC(=O)C1=NOC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570239	0	30	-1.0	-48.58	296.74	-2.23	-50.81
CC(CCN1C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570240	0	41	-1.0	-52.30	367.44	0.83	-51.47
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=CC=C2Cl)[N-]O1	REAL300025570241	0	25	-1.0	-39.83	263.86	-0.41	-40.24
O=C1N=C(CNS(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)[N-]O1	REAL300025570242	0	34	-1.0	-50.68	315.04	-1.12	-51.80
O=C1N=C(CNS(=O)(=O)C2=CSC=C2C(F)(F)F)[N-]O1	REAL300025570243	0	25	-1.0	-43.42	260.13	-0.67	-44.09
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)[N-]O1	REAL300025570244	0	28	-1.0	-41.91	272.25	0.54	-41.37
COC(=O)C1=C(C)SC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570245	0	31	-1.0	-41.04	307.06	-0.73	-41.77
O=C1N=C(CNS(=O)(=O)C2=CC=C(C3CC3)C=C2F)[N-]O1	REAL300025570246	0	32	-1.0	-41.67	288.38	0.77	-40.90
O=C1N=C(CNS(=O)(=O)C2=CC3=C(Br)C=NC=C3S2)[N-]O1	REAL300025570247	0	27	-1.0	-39.33	295.27	-0.86	-40.19
O=C1N=C(CNS(=O)(=O)C2=CC=NN2C2CCCC2)[N-]O1	REAL300025570248	0	35	-1.0	-39.79	305.72	-0.48	-40.27
CCC(C)N1N=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570249	0	34	-1.0	-39.75	300.85	-1.19	-40.94
CNC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570250	0	34	-1.0	-48.95	311.85	-3.53	-52.48
CS(=O)(=O)C1=CSC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570251	0	28	-1.0	-48.99	294.83	-4.58	-53.57
CNC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570252	0	34	-1.0	-48.95	311.85	-3.53	-52.48
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)[N-]O1	REAL300025570253	0	28	-1.0	-44.97	265.86	0.47	-44.50
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570254	0	37	-1.0	-49.22	330.83	2.70	-46.52
CN(C1CCCCCC1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570255	0	39	-1.0	-40.03	306.51	-0.28	-40.31
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)O2)[N-]O1	REAL300025570256	0	24	-2.0	-97.26	263.44	-2.55	-99.81
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)[N-]O1	REAL300025570256	1	24	-2.0	-97.26	263.44	-2.55	-99.81
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570257	0	29	-1.0	-40.37	274.14	-1.13	-41.50
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C2CCOCC2)=N1	REAL300025570258	0	39	-1.0	-43.41	339.43	-1.96	-45.37
CC(F)(F)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570259	0	31	-1.0	-42.74	294.11	0.45	-42.29
O=C1N=C(CNS(=O)(=O)C2=CC=CC(OC(F)F)=C2)[N-]O1	REAL300025570260	0	29	-1.0	-43.17	280.15	-1.50	-44.67
O=C1N=C(CNS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)[N-]O1	REAL300025570261	0	40	-1.0	-41.51	336.41	1.58	-39.93
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C12	REAL300025570262	0	36	-1.0	-47.95	312.30	1.21	-46.74
O=C1N=C(CNS(=O)(=O)N2CCC(C(F)(F)F)CC2)[N-]O1	REAL300025570263	0	33	-1.0	-41.78	296.42	-0.96	-42.74
CCOCC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570264	0	35	-1.0	-42.89	317.83	-0.39	-43.28
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570265	0	34	-1.0	-45.35	320.53	1.12	-44.23
O=C1N=C(CNS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)[N-]O1	REAL300025570266	0	28	-1.0	-41.76	300.18	0.92	-40.84
O=C1N=C(CNS(=O)(=O)CC(F)C2=CC=CC=C2)[N-]O1	REAL300025570267	0	31	-1.0	-44.92	289.90	0.47	-44.45
CC(C)(C)OC(=O)C1CCCCN1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570268	0	45	-1.0	-45.72	354.05	1.64	-44.08
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025570269	0	33	-2.0	-84.37	319.51	-3.17	-87.54
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025570269	1	33	-2.0	-84.37	319.51	-3.17	-87.54
O=C1N=C(CNS(=O)(=O)CC2=CC(Br)=NO2)[N-]O1	REAL300025570270	0	24	-1.0	-46.13	261.35	-2.33	-48.46
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570271	0	35	-1.0	-41.27	319.55	0.15	-41.12
O=C1N=C(CNS(=O)(=O)C2=CN(C3CCCCC3)N=C2)[N-]O1	REAL300025570272	0	38	-1.0	-41.86	327.28	-0.13	-41.99
O=C1N=C(CNS(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)[N-]O1	REAL300025570273	0	27	-2.0	-106.41	295.65	0.37	-106.04
O=C1N=C(C[N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)[N-]O1	REAL300025570273	1	27	-2.0	-106.41	295.65	0.37	-106.04
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)[N-]O1	REAL300025570274	0	36	-1.0	-41.66	329.61	1.76	-39.90
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570275	0	37	-1.0	-45.75	329.92	1.66	-44.09
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1Br	REAL300025570276	0	31	-1.0	-39.56	298.60	0.66	-38.90
CCN1N=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025570277	0	28	-1.0	-40.04	273.97	-2.53	-42.57
O=C1N=C(CNS(=O)(=O)C=CC2=CC=CC=C2Br)[N-]O1	REAL300025570278	0	29	-1.0	-43.05	291.07	0.61	-42.44
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025570279	0	31	-1.0	-41.20	325.99	0.14	-41.06
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)[N-]O1	REAL300025570280	0	24	-2.0	-102.74	269.39	-0.85	-103.59
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025570281	0	26	-2.0	-99.53	280.60	-2.49	-102.02
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025570281	1	26	-2.0	-99.53	280.60	-2.49	-102.02
O=C1N=C(CNS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)[N-]O1	REAL300025570282	0	30	-1.0	-48.64	297.36	0.10	-48.54
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)[N-]O1	REAL300025570283	0	30	-1.0	-48.38	294.05	-0.08	-48.46
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025570284	0	26	-2.0	-99.53	280.60	-2.49	-102.02
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025570284	1	26	-2.0	-99.53	280.60	-2.49	-102.02
O=C1N=C(CNS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)[N-]O1	REAL300025570285	0	28	-1.0	-41.76	300.18	0.92	-40.84
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025570286	0	34	-1.0	-44.49	299.62	1.81	-42.68
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570287	0	28	-2.0	-111.85	291.42	-0.74	-112.59
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570287	1	28	-2.0	-111.85	291.42	-0.74	-112.59
O=C1N=C(CNS(=O)(=O)C2=CC=C(OCCF)C=C2)[N-]O1	REAL300025570288	0	32	-1.0	-43.69	298.82	-0.71	-44.40
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025570289	0	39	-1.0	-43.07	345.48	0.44	-42.63
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)[N-]O1	REAL300025570290	0	24	-2.0	-99.83	267.15	-1.16	-100.99
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)[N-]O1	REAL300025570290	1	24	-2.0	-99.83	267.15	-1.16	-100.99
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025570291	0	31	-1.0	-51.24	304.51	-4.79	-56.03
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=N1	REAL300025570292	0	35	-1.0	-43.18	308.15	-0.19	-43.37
O=C(NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N=C1)C(F)(F)F	REAL300025570293	0	31	-1.0	-43.92	309.57	-3.48	-47.40
O=C1N=C(CNS(=O)(=O)C=CC2=CC=CC(Br)=C2)[N-]O1	REAL300025570294	0	29	-1.0	-41.73	294.11	0.71	-41.02
O=C1N=C(CNS(=O)(=O)C=CC2=CC=C(Br)C=C2)[N-]O1	REAL300025570295	0	29	-1.0	-41.45	294.09	0.72	-40.73
O=C1N=C(CNS(=O)(=O)C2=CC=C(C3CC3)S2)[N-]O1	REAL300025570296	0	29	-1.0	-40.71	284.71	0.22	-40.49
COC(=O)C1CCCCN1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570297	0	36	-1.0	-44.35	305.48	-0.24	-44.59
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025570298	0	47	-1.0	-40.88	370.60	3.10	-37.78
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025570299	0	28	-1.0	-46.25	286.35	-0.27	-46.52
COC1=CC=C(C=C(C)S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570300	0	36	-1.0	-42.46	314.85	-0.10	-42.56
O=C1N=C(C[N-]S(=O)(=O)C2=C(Br)C=NS2)[N-]O1	REAL300025570301	0	21	-1.0	-37.69	245.97	-2.73	-40.42
O=C1N=C(CNS(=O)(=O)C2=C(Br)C=NS2)[N-]O1	REAL300025570301	1	21	-1.0	-37.69	245.97	-2.73	-40.42
O=C1N=C(CNS(=O)(=O)C2CCC3CCC2OC3)[N-]O1	REAL300025570302	0	36	-1.0	-45.07	269.71	-0.52	-45.59
COC(=O)C=CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570303	0	35	-1.0	-44.02	327.58	0.82	-43.20
CCOC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=NN1	REAL300025570304	0	30	-2.0	-84.36	297.57	-3.43	-87.79
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570304	1	30	-2.0	-84.28	297.67	-3.42	-87.70
CCOC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N[N-]1	REAL300025570304	1	30	-2.0	-84.28	297.67	-3.42	-87.70
COC1=CSC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL300025570305	0	30	-1.0	-42.46	289.73	-3.22	-45.68
O=C1N=C(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)O2)[N-]O1	REAL300025570306	0	30	-2.0	-105.07	298.22	-3.24	-108.31
O=C1N=C(C[N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)O2)[N-]O1	REAL300025570306	1	30	-2.0	-105.07	298.22	-3.24	-108.31
O=C1N=C(CNS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)[N-]O1	REAL300025570307	0	37	-1.0	-40.32	301.34	-0.63	-40.95
CN(CCC1=CC=CC=C1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570308	0	36	-1.0	-42.25	321.68	0.77	-41.48
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570309	0	28	-2.0	-105.26	293.72	-0.49	-105.75
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570309	1	28	-2.0	-105.26	293.72	-0.49	-105.75
O=C1N=C(CNS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)[N-]O1	REAL300025570310	0	29	-1.0	-42.15	282.37	-0.20	-42.35
COC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025570311	0	28	-2.0	-107.65	277.58	-2.18	-109.83
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(F)=C1	REAL300025570311	1	28	-2.0	-107.65	277.58	-2.18	-109.83
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)[N-]O1	REAL300025570312	0	29	-1.0	-42.59	286.39	-1.44	-44.03
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570313	0	31	-1.0	-41.20	284.30	-1.09	-42.29
CN1C=CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025570314	0	32	-1.0	-44.75	294.60	0.68	-44.07
O=C1N=C(CNS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)[N-]O1	REAL300025570315	0	28	-1.0	-45.90	270.57	0.44	-45.46
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)[N-]O1	REAL300025570316	0	34	-1.0	-40.89	319.76	-0.60	-41.49
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=C(Cl)S2)[N-]O1	REAL300025570317	0	21	-2.0	-93.63	264.65	-1.66	-95.29
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)[N-]O1	REAL300025570317	1	21	-2.0	-93.63	264.65	-1.66	-95.29
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570318	0	38	-1.0	-43.46	330.54	1.19	-42.27
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC2=C1N(C)C(=O)C2(C)C	REAL300025570319	0	42	-1.0	-42.76	359.31	0.82	-41.94
O=C1N=C(CNS(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)[N-]O1	REAL300025570320	0	28	-1.0	-39.96	297.14	0.33	-39.63
O=C(C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1)C(F)F	REAL300025570321	0	30	-1.0	-43.80	293.57	-0.41	-44.21
COC(=O)[C@@H]1CCCN1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570322	0	33	-1.0	-46.88	294.40	-1.61	-48.49
O=C1N=C(CNS(=O)(=O)C2=C(I)C=CS2)[N-]O1	REAL300025570323	0	21	-2.0	-99.92	258.09	-1.73	-101.65
O=C1N=C(C[N-]S(=O)(=O)C2=C(I)C=CS2)[N-]O1	REAL300025570323	1	21	-2.0	-99.92	258.09	-1.73	-101.65
O=C1N=C(CNS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)[N-]O1	REAL300025570324	0	36	-1.0	-42.84	331.32	1.82	-41.02
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570325	0	31	-1.0	-47.91	277.75	0.93	-46.98
COC(=O)C1=CNN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570326	0	27	-2.0	-117.74	270.58	-4.09	-121.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570326	1	27	-2.0	-117.74	270.58	-4.09	-121.83
O=C1N=C(CNS(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)[N-]O1	REAL300025570327	0	30	-1.0	-44.30	295.76	-2.51	-46.81
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL300025570328	0	27	-2.0	-108.55	262.65	-6.03	-114.58
CC1=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL300025570328	1	27	-2.0	-108.55	262.65	-6.03	-114.58
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)[N-]O1	REAL300025570329	0	26	-1.0	-42.74	275.99	-2.21	-44.95
CC1=CC(Cl)=NC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570330	0	27	-1.0	-38.90	268.01	-1.55	-40.45
C=C(C)COC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570331	0	36	-1.0	-43.69	324.57	0.54	-43.15
CCN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C2CC2)=N1	REAL300025570332	0	35	-1.0	-42.89	306.16	-0.84	-43.73
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=NSN=C2C=C1	REAL300025570333	0	29	-1.0	-45.40	278.91	-1.69	-47.09
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)[N-]O1	REAL300025570334	0	31	-1.0	-40.98	303.53	1.69	-39.29
CC(=O)OC1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025570335	0	33	-1.0	-44.33	300.82	-1.92	-46.25
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)[N-]O1	REAL300025570336	0	35	-1.0	-40.71	331.83	2.85	-37.86
COC(=O)C1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(Cl)S1	REAL300025570337	0	28	-1.0	-43.53	296.44	-0.06	-43.59
CC(C)(C)OC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025570338	0	37	-1.0	-40.28	322.08	-0.84	-41.12
NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025570339	0	27	-1.0	-41.57	274.45	-2.49	-44.06
CCC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025570340	0	31	-1.0	-39.45	299.93	0.79	-38.66
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570341	0	38	-1.0	-40.07	328.87	0.04	-40.03
COCCC1=CC=C(OC)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570342	0	39	-1.0	-44.18	337.99	-0.76	-44.94
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)[N-]O1	REAL300025570343	0	31	-1.0	-42.80	288.24	1.21	-41.59
CN1N=C2CCOCC2=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570344	0	33	-1.0	-40.41	291.54	-3.41	-43.82
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=C3OCCOC3=C2)[N-]O1	REAL300025570345	0	31	-1.0	-42.09	305.73	-1.25	-43.34
CC(=O)OCC1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025570346	0	39	-1.0	-45.45	334.21	-0.42	-45.87
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570347	0	39	-1.0	-51.71	349.44	-0.40	-52.11
O=C1N=C(CNS(=O)(=O)N2CCN(CC(F)F)CC2)[N-]O1	REAL300025570348	0	35	-1.0	-42.27	303.12	-3.31	-45.58
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL300025570349	0	31	-1.0	-39.83	283.85	-3.62	-43.45
COC1=NC=C(C)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570350	0	31	-1.0	-42.73	280.73	-3.23	-45.96
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)[N-]O1	REAL300025570351	0	40	-1.0	-41.96	342.78	-0.70	-42.66
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570352	0	28	-1.0	-40.05	276.03	-3.38	-43.43
COC1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025570353	0	31	-1.0	-40.67	288.20	-3.67	-44.34
CC(C)CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025570354	0	34	-1.0	-42.94	308.31	-0.98	-43.92
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570355	0	34	-1.0	-42.57	304.48	-1.38	-43.95
O=C1N=C(CNS(=O)(=O)C2=CSC(C(F)(F)F)=N2)[N-]O1	REAL300025570356	0	24	-1.0	-43.61	268.23	-3.11	-46.72
COCC1=CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025570357	0	31	-1.0	-48.01	295.24	-3.21	-51.22
CC1=CC(NC(=O)OC(C)(C)C)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570358	0	45	-1.0	-43.55	377.57	0.05	-43.50
O=C1N=C(CNS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)[N-]O1	REAL300025570359	0	28	-1.0	-49.47	290.36	-1.28	-50.75
O=C1N=C(C[N-]S(=O)(=O)C2=NC=C(Br)C=N2)[N-]O1	REAL300025570360	0	23	-1.0	-41.05	253.91	-3.28	-44.33
O=C1N=C(CNS(=O)(=O)C2=NC=C(Br)C=N2)[N-]O1	REAL300025570360	1	23	-1.0	-41.05	253.91	-3.28	-44.33
CC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025570361	0	29	-1.0	-48.16	289.02	-3.04	-51.20
CC1=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025570362	0	31	-1.0	-39.41	284.22	0.36	-39.05
O=C1N=C(CNS(=O)(=O)C2=CC=C(I)S2)[N-]O1	REAL300025570363	0	22	-1.0	-38.59	261.04	-0.89	-39.48
COC1=CC=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570364	0	29	-1.0	-42.31	282.71	-0.63	-42.94
O=C1N=C(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)[N-]O1	REAL300025570365	0	27	-1.0	-42.58	276.03	-1.95	-44.53
COC1=NC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025570366	0	28	-1.0	-41.51	269.68	-4.28	-45.79
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570367	0	32	-1.0	-47.35	294.24	-2.94	-50.29
O=C1N=C(CNS(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)[N-]O1	REAL300025570368	0	29	-1.0	-41.51	303.78	1.04	-40.47
CC(C)(C)OC(=O)NC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL300025570369	0	41	-1.0	-44.67	359.36	-1.16	-45.83
O=C1N=C(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)[N-]O1	REAL300025570370	0	30	-1.0	-42.48	294.09	1.14	-41.34
O=C1N=C(C[N-]S(=O)(=O)C2=NC=CC(Br)=C2F)[N-]O1	REAL300025570371	0	24	-1.0	-43.63	261.80	-2.23	-45.86
O=C1N=C(CNS(=O)(=O)C2=NC=CC(Br)=C2F)[N-]O1	REAL300025570371	1	24	-1.0	-43.63	261.80	-2.23	-45.86
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025570372	0	36	-1.0	-42.63	310.54	-0.49	-43.12
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CN=C12	REAL300025570373	0	33	-1.0	-43.17	297.15	0.21	-42.96
COC(=O)C1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025570374	0	33	-1.0	-41.27	307.66	-1.72	-42.99
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570375	0	28	-1.0	-48.65	279.03	0.80	-47.85
O=C1N=C(CNS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)[N-]O1	REAL300025570376	0	32	-1.0	-43.26	292.06	0.23	-43.03
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)F)C=N2)[N-]O1	REAL300025570377	0	27	-1.0	-44.20	269.08	-2.15	-46.35
CC1=CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025570378	0	31	-1.0	-44.19	304.15	0.82	-43.37
CC(C)OC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025570379	0	35	-1.0	-41.56	326.20	0.33	-41.23
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=NN1C(C)C	REAL300025570380	0	34	-1.0	-42.36	305.51	-1.34	-43.70
O=C1N=C(CNS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)[N-]O1	REAL300025570381	0	32	-1.0	-45.12	300.77	1.11	-44.01
O=C1N=C(CNS(=O)(=O)C2=CN=CC(C(F)F)=C2)[N-]O1	REAL300025570382	0	27	-1.0	-41.73	268.23	-2.06	-43.79
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=C1NCCC2	REAL300025570383	0	37	-1.0	-41.23	310.65	-0.09	-41.32
O=C1N=C(CNS(=O)(=O)C2=CC=CC(C3OCCO3)=C2)[N-]O1	REAL300025570384	0	34	-1.0	-43.37	308.21	-1.44	-44.81
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570385	0	39	-1.0	-41.73	349.70	2.48	-39.25
O=C1N=C(CNS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)[N-]O1	REAL300025570386	0	32	-1.0	-43.13	302.39	1.15	-41.98
O=C1N=C(CNS(=O)(=O)C2=CSC=C2Br)[N-]O1	REAL300025570387	0	22	-1.0	-40.69	237.95	-2.02	-42.71
O=C1N=C(CNS(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)[N-]O1	REAL300025570388	0	29	-1.0	-43.49	284.14	-0.96	-44.45
CC1=CC(Br)=NC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570389	0	27	-1.0	-38.84	272.61	-1.48	-40.32
O=C1N=C(CNS(=O)(=O)C2=NC=CC3=CC=CC=C32)[N-]O1	REAL300025570390	0	30	-1.0	-46.47	274.76	-0.43	-46.90
CC1=CC=C(I)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570391	0	28	-1.0	-39.19	284.22	0.84	-38.35
COC(=O)CC1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570392	0	34	-1.0	-45.64	308.06	0.74	-44.90
O=C1N=C(CNS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)[N-]O1	REAL300025570393	0	36	-1.0	-42.76	325.12	3.04	-39.72
O=C1N=C(CNS(=O)(=O)C2=CC(C(F)F)=CC=C2F)[N-]O1	REAL300025570394	0	28	-1.0	-43.06	271.36	-0.47	-43.53
O=C1N=C(CNS(=O)(=O)C2=CN=CC(Br)=C2)[N-]O1	REAL300025570395	0	24	-1.0	-39.26	257.22	-2.28	-41.54
O=C1N=C(CNS(=O)(=O)C2=NC=CC=C2C(F)(F)F)[N-]O1	REAL300025570396	0	26	-2.0	-110.54	262.61	-2.16	-112.70
O=C1N=C(C[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)[N-]O1	REAL300025570396	1	26	-2.0	-110.54	262.61	-2.16	-112.70
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570397	0	33	-1.0	-48.07	298.56	-5.28	-53.35
CC1=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025570398	0	27	-1.0	-40.90	273.74	-1.66	-42.56
O=C1N=C(C[N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)[N-]O1	REAL300025570399	0	24	-1.0	-39.36	268.93	-1.69	-41.05
O=C1N=C(CNS(=O)(=O)C2=NC=C(Cl)C=C2Br)[N-]O1	REAL300025570399	1	24	-1.0	-39.36	268.93	-1.69	-41.05
O=C1N=C(CNS(=O)(=O)C2=NN(C3CC3(F)F)C=C2)[N-]O1	REAL300025570400	0	29	-1.0	-49.90	286.75	-1.77	-51.67
O=C1N=C(CNS(=O)(=O)C=CC2=CC=C(Cl)C=C2)[N-]O1	REAL300025570401	0	29	-1.0	-41.57	289.53	0.62	-40.95
CP(C)(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570402	0	34	-1.0	-49.02	321.00	-1.51	-50.53
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)[N-]O1	REAL300025570403	0	32	-1.0	-45.11	296.43	1.31	-43.80
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025570404	0	28	-1.0	-41.59	276.54	0.03	-41.56
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)[N-]O1	REAL300025570405	0	29	-1.0	-39.93	285.09	-1.54	-41.47
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C(F)F)=C1	REAL300025570406	0	32	-1.0	-45.82	290.38	-0.31	-46.13
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)OC	REAL300025570407	0	38	-1.0	-45.37	344.85	0.54	-44.83
COC(=O)C1CC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025570408	0	38	-1.0	-45.44	340.27	1.44	-44.00
COC(=O)C1=CC=NC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570409	0	30	-1.0	-46.55	280.53	-1.37	-47.92
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570410	0	31	-1.0	-39.87	298.16	-2.92	-42.79
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570411	0	30	-2.0	-104.16	307.33	0.39	-103.77
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570411	1	30	-2.0	-104.16	307.33	0.39	-103.77
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570412	0	30	-2.0	-121.30	292.13	-0.14	-121.44
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570412	1	30	-2.0	-121.30	292.13	-0.14	-121.44
O=C1N=C(CNS(=O)(=O)C2=CC=NC3=CC=CC=C32)[N-]O1	REAL300025570413	0	30	-1.0	-42.49	277.52	-0.66	-43.15
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2I)[N-]O1	REAL300025570414	0	25	-1.0	-42.06	262.20	0.18	-41.88
CCOC1=CC=CN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570415	0	31	-1.0	-47.81	285.77	-1.79	-49.60
COC(=O)C1=NC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025570416	0	36	-1.0	-43.93	337.52	-0.08	-44.01
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C12	REAL300025570417	0	33	-1.0	-48.07	290.86	0.57	-47.50
O=C1N=C(CNS(=O)(=O)N2CC=C(Br)CC2)[N-]O1	REAL300025570418	0	28	-1.0	-40.33	272.34	-1.36	-41.69
NC1=CC(Br)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570419	0	27	-1.0	-40.69	277.27	-2.58	-43.27
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570420	0	38	-1.0	-43.91	322.55	0.95	-42.96
CC1=CC(Cl)=CN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570421	0	27	-1.0	-40.78	266.56	-1.50	-42.28
O=C1N=C(CNS(=O)(=O)C2=NC=CC=C2C(F)F)[N-]O1	REAL300025570422	0	27	-1.0	-43.13	263.59	-1.88	-45.01
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(Cl)S1	REAL300025570423	0	25	-1.0	-38.39	266.11	-0.62	-39.01
O=C1N=C(CNS(=O)(=O)C2=CC(C(F)F)=CC=N2)[N-]O1	REAL300025570424	0	27	-1.0	-47.49	271.10	-2.05	-49.54
O=C1N=C(CNS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)[N-]O1	REAL300025570425	0	32	-1.0	-43.86	306.40	-0.46	-44.32
O=C1N=C(CNS(=O)(=O)C2=CC=C(C3OCCO3)C=C2F)[N-]O1	REAL300025570426	0	34	-1.0	-42.95	306.49	-1.69	-44.64
NS(=O)(=O)C1=CC=C(NC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570427	0	31	-1.0	-43.13	289.77	-4.72	-47.85
O=C(NCC1=NC(=O)O[N-]1)NC1=NC=C(C2=CC=CC=C2)S1	REAL300025570428	0	31	-2.0	-93.71	296.81	1.40	-92.31
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)NCC1=NC(=O)O[N-]1	REAL300025570428	1	31	-2.0	-93.71	296.81	1.40	-92.31
COC1=CC2=C(C=C1NC(=O)NCC1=NC(=O)O[N-]1)OC1=C2C=CC=C1	REAL300025570429	0	39	-1.0	-43.36	337.76	2.42	-40.94
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C2C(=O)NC(=O)C2=C1	REAL300025570430	0	30	-1.0	-41.59	280.20	-2.86	-44.45
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=CC(C2=NN=C3CCCN32)=C1	REAL300025570431	0	39	-1.0	-55.04	333.26	3.31	-51.73
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300025570432	0	28	-1.0	-34.44	278.77	1.62	-32.82
CC1=NC(C2=CC=C(NC(=O)NCC3=NC(=O)O[N-]3)C=C2)=CC(=O)N1	REAL300025570433	0	38	-1.0	-45.68	334.05	0.65	-45.03
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)NCC1=NC(=O)O[N-]1	REAL300025570434	0	30	-1.0	-44.47	293.34	-0.30	-44.77
O=C(NCC1=NC(=O)O[N-]1)NC1=NN=C(C2=CC=CC=N2)S1	REAL300025570434	1	30	-1.0	-44.47	293.34	-0.30	-44.77
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=CC=C1C(F)(F)F	REAL300025570435	0	29	-1.0	-37.01	269.55	1.56	-35.45
O=C(NCC1=NC(=O)O[N-]1)NC1=CC(Cl)=CC=C1Cl	REAL300025570436	0	26	-1.0	-36.06	267.33	1.48	-34.58
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=CN=C1N1CCCC1	REAL300025570437	0	37	-1.0	-36.78	306.28	0.90	-35.88
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C(Cl)C=C1Cl	REAL300025570438	0	26	-1.0	-34.17	267.31	1.46	-32.71
COC1=CC(OC)=C(NC(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025570439	0	34	-1.0	-39.92	309.12	-0.42	-40.34
CS(=O)(=O)C1=CC=C(NC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570440	0	32	-1.0	-45.07	296.28	-2.16	-47.23
CN(C1=CC=C(NC(=O)NCC2=NC(=O)O[N-]2)C=C1F)C1CCCCC1	REAL300025570441	0	47	-1.0	-39.28	375.18	2.95	-36.33
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C(C2=CC=CC=C2)C=C1	REAL300025570442	0	36	-1.0	-38.67	310.05	3.71	-34.96
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C(Br)C=C1Cl	REAL300025570443	0	26	-1.0	-34.07	271.87	1.58	-32.49
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C(OC(F)(F)F)C=C1	REAL300025570444	0	30	-1.0	-35.34	281.62	0.10	-35.24
COC1=CC(NC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025570445	0	38	-1.0	-39.60	327.55	-0.56	-40.16
O=C(NCC1=NC(=O)O[N-]1)NC1=CC=C(Br)C=C1	REAL300025570446	0	26	-1.0	-35.78	256.90	0.93	-34.85
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C(=O)N1CCOCC1	REAL300025570447	0	32	-1.0	-38.44	282.04	-0.70	-39.14
O=C(NCC1=NC(=O)O[N-]1)C(=O)NC1=CC=CC([N+](=O)[O-])=C1	REAL300025570448	0	30	-1.0	-46.36	286.50	-0.02	-46.38
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC(Cl)=CC=C2S1	REAL300025570449	0	26	-1.0	-38.75	273.22	1.06	-37.69
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=CS1	REAL300025570450	0	20	-1.0	-38.42	230.83	-1.34	-39.76
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300025570451	0	29	-2.0	-93.50	290.20	0.55	-92.95
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300025570451	1	29	-2.0	-93.50	290.20	0.55	-92.95
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300025570452	0	29	-2.0	-96.62	290.21	0.56	-96.06
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300025570452	1	29	-2.0	-96.62	290.21	0.56	-96.06
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Br)S1	REAL300025570453	0	20	-1.0	-34.93	230.18	-1.16	-36.09
CC(C)(C)OC(=O)N1CC2=CN=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C1	REAL300025570454	0	43	-1.0	-41.97	365.07	0.79	-41.18
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570455	0	33	-1.0	-45.87	304.31	0.82	-45.05
CC(C)(C1=NN=C(C(=O)NCC2=NC(=O)O[N-]2)O1)S(C)(=O)=O	REAL300025570456	0	34	-1.0	-53.67	313.65	-7.28	-60.95
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)OC1=C(F)C=C(Cl)C=C1F	REAL300025570457	0	28	-1.0	-36.59	297.91	2.57	-34.02
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)OC1=C(F)C=C(Cl)C=C1F	REAL300025570457	1	28	-1.0	-36.59	297.91	2.57	-34.02
O=C(NCC1=NC(=O)O[N-]1)C1=NN=C(C2=CC=C(F)C=C2)O1	REAL300025570458	0	29	-1.0	-37.36	282.77	-2.73	-40.09
O=C(NCC1=NC(=O)O[N-]1)C1=NN=C(CC2=C(F)C=CC=C2Cl)O1	REAL300025570459	0	32	-1.0	-39.83	317.75	-1.63	-41.46
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC=C(Br)C2=N1	REAL300025570460	0	26	-1.0	-47.32	268.55	1.16	-46.16
CN1C=NN=C1SCC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570461	0	41	-1.0	-51.42	375.27	3.46	-47.96
O=C(CCC1=CC=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025570462	0	30	-1.0	-36.14	297.64	3.45	-32.69
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=NC=CC=N2)C1	REAL300025570463	0	37	-1.0	-41.18	309.33	1.84	-39.34
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CC1	REAL300025570464	0	31	-1.0	-36.92	293.85	3.36	-33.56
CC1=CC=C(SC2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025570465	0	40	-1.0	-40.11	352.81	4.81	-35.30
CC1=CC=C(SC2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025570466	0	40	-1.0	-39.59	353.80	4.86	-34.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC1=CC=CC=C1	REAL300025570467	0	34	-1.0	-39.75	314.41	3.61	-36.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1F	REAL300025570468	0	24	-1.0	-37.73	246.97	1.75	-35.98
CN1C(=O)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2N(C)C1=O	REAL300025570469	0	35	-1.0	-36.86	309.37	0.63	-36.23
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025570470	0	34	-1.0	-41.79	315.56	0.38	-41.41
CC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1F	REAL300025570471	0	38	-1.0	-41.60	327.15	2.69	-38.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2CCCO2)=C1	REAL300025570472	0	39	-1.0	-41.55	329.54	1.74	-39.81
CC1=CC=C(OC2=CC=C(OCC(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025570473	0	42	-1.0	-39.28	364.76	5.13	-34.15
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=CC=C2)C1	REAL300025570474	0	42	-1.0	-41.91	358.82	0.90	-41.01
COCCNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570475	0	39	-1.0	-43.64	352.11	-2.84	-46.48
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025570476	0	45	-1.0	-41.27	373.66	5.73	-35.54
CSC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)N1C1=CC=C(F)C=C1	REAL300025570477	0	35	-1.0	-35.81	329.52	4.10	-31.71
CC1=CC=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=C1	REAL300025570478	0	34	-1.0	-38.81	308.68	4.34	-34.47
CC1=CN2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2C=C1	REAL300025570479	0	32	-1.0	-52.34	284.94	1.85	-50.49
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025570480	0	34	-1.0	-38.11	317.07	2.50	-35.61
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC3=C(CCCC3)C2=CC=C1	REAL300025570481	0	38	-1.0	-38.78	313.78	3.68	-35.10
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C(Br)C=C1	REAL300025570482	0	38	-1.0	-44.64	340.39	3.28	-41.36
COC1=CC=C(C(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025570483	0	46	-1.0	-51.00	376.67	2.60	-48.40
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=CN=CC=N2)C1	REAL300025570484	0	37	-1.0	-40.29	307.82	-0.28	-40.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300025570485	0	35	-2.0	-89.62	341.41	0.01	-89.61
CC1=NC2=C3C=CC=CC3=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570486	0	44	-1.0	-43.67	370.18	4.56	-39.11
CSC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)N1C1=CC=CC=C1	REAL300025570487	0	35	-1.0	-34.34	318.98	4.52	-29.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300025570488	0	38	-1.0	-38.85	332.39	4.33	-34.52
CCOC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025570489	0	42	-1.0	-39.94	351.27	2.20	-37.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=CC=C2)O1	REAL300025570490	0	35	-1.0	-40.61	317.14	2.49	-38.12
CC1=CC(NC(=O)C(C)SCC(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025570491	0	37	-1.0	-44.70	338.40	1.11	-43.59
CC1=CC=C(NC(=O)CSC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570492	0	41	-1.0	-46.49	363.74	2.59	-43.90
O=C(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025570493	0	41	-1.0	-43.04	362.68	-2.63	-45.67
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570494	0	32	-1.0	-40.37	306.25	-2.50	-42.87
CC1=CC=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)C(C3=CC=CC=C3)=N2)C=C1	REAL300025570495	0	44	-1.0	-39.89	376.98	6.45	-33.44
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025570496	0	45	-1.0	-43.45	377.21	0.62	-42.83
CC1=CC=C(S(=O)(=O)N2CCCCC2C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570497	0	48	-1.0	-42.93	381.18	2.30	-40.63
CC1=CC=C(S(=O)(=O)NC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570498	0	44	-1.0	-43.02	361.75	-0.21	-43.23
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC(C)(C)C	REAL300025570499	0	45	-1.0	-42.90	374.79	-1.06	-43.96
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCCC(C)C	REAL300025570500	0	44	-1.0	-37.39	362.16	3.27	-34.12
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=CC=C1Cl	REAL300025570501	0	42	-1.0	-38.52	374.67	4.76	-33.76
CCCCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025570502	0	47	-1.0	-37.34	387.59	4.32	-33.02
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025570503	0	35	-1.0	-44.72	320.23	-2.18	-46.90
CC1CC(C)CN(S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025570504	0	48	-1.0	-39.40	392.54	2.21	-37.19
COC1=CC(OC)=CC(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025570505	0	48	-1.0	-39.94	390.61	0.47	-39.47
CC(C)C(NC(=O)C1=CC=CO1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570506	0	37	-1.0	-38.25	315.59	-0.22	-38.47
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1N1C=NN=N1	REAL300025573594	0	33	-1.0	-40.43	296.45	0.76	-39.67
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1CCCCC1	REAL300025573595	0	40	-1.0	-39.15	325.73	2.75	-36.40
COC1=CC=C(CC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025573596	0	41	-1.0	-39.13	341.25	2.20	-36.93
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)C2=CC=CC=C2)CC1	REAL300025573597	0	47	-1.0	-39.76	366.54	3.69	-36.07
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1C(C)C	REAL300025573598	0	41	-1.0	-35.95	333.55	2.07	-33.88
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025573599	0	34	-1.0	-42.97	314.92	3.58	-39.39
CN1C=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025573600	0	33	-1.0	-43.16	299.18	3.16	-40.00
COC1=CC(Br)=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573601	0	34	-1.0	-37.10	316.76	2.52	-34.58
CCS(=O)(=O)C1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573602	0	33	-1.0	-44.88	319.52	0.11	-44.77
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573603	0	46	0.0	-65.30	376.18	6.54	-58.76
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573603	1	46	0.0	-64.91	376.19	6.55	-58.36
CN(CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573603	1	45	-1.0	-39.05	374.17	4.21	-34.84
COC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025573604	0	44	-1.0	-43.21	378.71	2.64	-40.57
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025573605	0	44	-1.0	-40.58	356.57	1.10	-39.48
CN1C=C(C2=CC=C(F)C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025573606	0	34	-1.0	-46.99	305.72	2.43	-44.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1Br	REAL300025573607	0	26	-1.0	-38.54	260.46	2.17	-36.37
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N(C2=CC=CC=C2)N=C1	REAL300025573608	0	31	-1.0	-38.68	298.21	2.56	-36.12
CC1=CC(Br)=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025573609	0	30	-1.0	-40.10	295.04	2.73	-37.37
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C(F)=C2)=N1	REAL300025573610	0	30	-1.0	-44.72	301.08	1.98	-42.74
CC(C)(C)OC(=O)NCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573611	0	43	-1.0	-41.04	355.25	0.07	-40.97
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC(C(F)(F)F)=C2)OC=N1	REAL300025573612	0	33	-1.0	-43.62	315.69	0.43	-43.19
O=C(COCCNC(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025573613	0	38	-1.0	-44.31	336.73	0.59	-43.72
CCOC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025573614	0	47	-1.0	-40.23	379.21	3.69	-36.54
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(F)=C1	REAL300025573615	0	40	-1.0	-40.61	346.58	4.19	-36.42
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC(F)=C(OC)C=C1F	REAL300025573616	0	44	-1.0	-40.40	382.83	3.61	-36.79
CC(C)(C)OC(=O)N1CCCC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C1	REAL300025573617	0	51	-1.0	-42.86	410.42	2.69	-40.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)O1	REAL300025573618	0	32	-1.0	-38.41	325.17	3.87	-34.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1	REAL300025573619	0	30	-1.0	-38.38	286.26	2.07	-36.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1Cl	REAL300025573620	0	24	-1.0	-36.70	253.04	2.12	-34.58
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025573621	0	40	-1.0	-38.12	346.90	4.17	-33.95
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(Br)S1	REAL300025573622	0	23	-1.0	-39.25	248.36	-0.54	-39.79
C[NH+](C)CCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025573623	0	46	0.0	-64.86	374.61	4.22	-60.64
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025573624	0	41	-1.0	-59.53	359.03	4.00	-55.53
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025573624	1	40	-2.0	-92.85	355.81	3.56	-89.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1	REAL300025573625	0	32	-1.0	-37.15	313.01	0.78	-36.37
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)SC(Br)=N1	REAL300025573626	0	27	-1.0	-39.70	277.26	0.92	-38.78
CCCCOC1=CC(OCCC)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573627	0	47	-1.0	-39.47	386.03	5.16	-34.31
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=CC=C1Br	REAL300025573628	0	23	-1.0	-39.47	256.09	0.45	-39.02
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025573629	0	43	-1.0	-39.81	361.70	4.79	-35.02
CC(C)(C)OC(=O)N1CCC(F)(F)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573630	0	44	-1.0	-42.49	358.96	2.03	-40.46
COC1=CC(Cl)=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573631	0	28	-1.0	-37.46	284.50	2.69	-34.77
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573632	0	33	-1.0	-36.65	307.68	1.01	-35.64
CC1=C(Br)C=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573633	0	30	-1.0	-37.00	280.99	2.79	-34.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C(F)C=C1F	REAL300025573634	0	24	-1.0	-34.78	252.64	1.79	-32.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1F	REAL300025573635	0	24	-1.0	-38.35	246.27	1.72	-36.63
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCCC(C)C)=C1	REAL300025573636	0	44	-1.0	-39.98	360.24	3.94	-36.04
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1Cl	REAL300025573637	0	40	-1.0	-40.96	344.35	4.52	-36.44
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C(CC)CC	REAL300025573638	0	42	-1.0	-39.50	340.10	2.94	-36.56
N#CCCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025573639	0	38	-1.0	-40.99	337.51	3.41	-37.58
CN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(Cl)C(Cl)=C1	REAL300025573640	0	38	-1.0	-37.77	355.41	3.38	-34.39
CC(C)(COC1=CC(Cl)=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573641	0	37	-1.0	-33.91	345.45	3.71	-30.20
COC1=CC(OC2CC2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573642	0	36	-1.0	-40.02	308.88	2.57	-37.45
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1C	REAL300025573643	0	43	-1.0	-39.80	359.04	5.06	-34.74
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CCC(C)C	REAL300025573644	0	42	-1.0	-38.97	346.40	2.93	-36.04
CN1N=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573645	0	24	-1.0	-34.42	243.07	-0.71	-35.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(C(F)(F)F)C(F)=C1	REAL300025573646	0	27	-1.0	-32.95	268.78	2.10	-30.85
CC(C)CC1=CC=C([C@H](C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573647	0	42	-1.0	-36.46	342.84	4.95	-31.51
COCCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573648	0	38	-1.0	-40.23	330.73	1.23	-39.00
CC(C)CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025573649	0	43	-1.0	-40.20	351.72	3.97	-36.23
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC(C)C)=C1	REAL300025573650	0	44	-1.0	-39.80	360.94	4.17	-35.63
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC2CCCC2)=C1	REAL300025573651	0	48	-1.0	-39.71	386.73	5.54	-34.17
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCC2=CC=CC=C2)=C1	REAL300025573652	0	48	-1.0	-41.04	402.94	6.61	-34.43
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCCCOC)=C1	REAL300025573653	0	48	-1.0	-41.60	398.20	3.45	-38.15
CC(=O)NCC1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025573654	0	41	-1.0	-46.78	344.47	-0.45	-47.23
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300025573655	0	36	-1.0	-36.97	339.60	4.00	-32.97
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCCC)=C1	REAL300025573656	0	44	-1.0	-39.48	364.53	4.38	-35.10
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL300025573657	0	36	-1.0	-37.88	327.09	-0.06	-37.94
CCOC1=C(Cl)C=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573658	0	34	-1.0	-39.59	313.46	2.60	-36.99
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Br)=C2)N=C1	REAL300025573659	0	30	-1.0	-40.18	301.39	1.28	-38.90
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1Cl	REAL300025573660	0	37	-1.0	-41.91	334.14	4.03	-37.88
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)N1CC1=CC=C(Br)C=C1	REAL300025573661	0	38	-1.0	-38.13	349.56	3.31	-34.82
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025573662	0	46	-1.0	-44.11	350.37	4.74	-39.37
COC1=CC=CC(C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025573663	0	40	-1.0	-39.40	347.20	3.60	-35.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CN=C2N=C1	REAL300025573664	0	28	-1.0	-39.05	278.68	1.09	-37.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=C1NC1=CC=C(F)C=C1C2=O	REAL300025573665	0	36	-1.0	-35.64	326.46	3.53	-32.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1	REAL300025573666	0	36	-1.0	-46.02	318.50	3.04	-42.98
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025573667	0	41	-1.0	-38.95	352.92	-0.35	-39.30
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C=NC2=CC=C(Br)C=C21	REAL300025573668	0	30	-1.0	-39.33	297.39	-0.98	-40.31
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=CC=C(Br)C=C21	REAL300025573668	1	29	-2.0	-91.97	293.82	-0.21	-92.18
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573669	0	45	-1.0	-43.62	364.91	2.42	-41.20
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC2=CC=CC=C2O1	REAL300025573670	0	34	-1.0	-44.96	308.86	2.68	-42.28
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300025573671	0	34	-1.0	-37.06	325.99	4.30	-32.76
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300025573672	0	35	-1.0	-40.33	351.67	4.76	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NN2C(=O)C3CC=CCC3C2=O)=C1	REAL300025573673	0	44	-1.0	-42.85	376.63	3.14	-39.71
CC(OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025573674	0	41	-1.0	-38.09	349.17	4.96	-33.13
CC1=CC=C(C(=O)CC(C)(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573675	0	44	-1.0	-41.74	352.66	4.85	-36.89
O=C(CC(C1=CC=CS1)N1C=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025573676	0	35	-1.0	-37.48	315.77	4.19	-33.29
CC(C)(C)OC(=O)NCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573677	0	46	-1.0	-40.37	376.74	0.85	-39.52
CC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025573678	0	24	-1.0	-35.88	255.56	1.72	-34.16
CCCN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025573679	0	37	-1.0	-37.86	315.54	4.21	-33.65
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300025573680	0	34	-1.0	-37.80	310.61	3.77	-34.03
O=C(CC1=CC=C(Br)C=C1O)NCC1=NC(=O)O[N-]1	REAL300025573681	0	28	-1.0	-36.28	276.87	-0.44	-36.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2OC(F)(F)F)O1	REAL300025573682	0	35	-1.0	-43.07	332.60	2.72	-40.35
COC1C2CC3CC1CC(C(=O)NCC1=NC(=O)O[N-]1)(C3)C2	REAL300025573683	0	42	-1.0	-35.16	316.31	2.10	-33.06
CN1C=C(C2=NN(C)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025573684	0	34	-1.0	-43.80	303.84	0.15	-43.65
CC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025573685	0	37	-1.0	-41.92	322.71	4.01	-37.91
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300025573686	0	34	-1.0	-37.75	317.35	3.85	-33.90
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL300025573687	0	30	-1.0	-40.85	295.15	1.27	-39.58
CC1=CC2=C(Br)C=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2O1	REAL300025573688	0	30	-1.0	-39.19	291.05	3.41	-35.78
COC1=CC=C(SCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573689	0	38	-1.0	-39.27	336.91	3.05	-36.22
CC1C(C(=O)NCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025573690	0	44	-1.0	-39.88	348.70	1.70	-38.18
O=C(CC1=CC=C(Br)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025573691	0	27	-1.0	-36.82	281.88	2.80	-34.02
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573692	0	34	-1.0	-47.25	308.78	3.02	-44.23
CC1=CC=C(Br)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573693	0	26	-1.0	-40.70	255.84	0.50	-40.20
O=C(CCCC1=NN=C(C2=CC=C(Cl)C=C2Cl)O1)NCC1=NC(=O)O[N-]1	REAL300025573694	0	38	-1.0	-43.44	369.29	0.73	-42.71
CCOC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025573695	0	54	-1.0	-39.36	422.42	1.32	-38.04
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025573696	0	48	-1.0	-39.88	387.06	4.23	-35.65
CC1=CC=C(C)C(N2C=NC3=CC(C(=O)NCC4=NC(=O)O[N-]4)=CC=C32)=C1	REAL300025573697	0	43	-1.0	-40.61	367.18	7.14	-33.47
COC1=CC=C(OC)C(C2CC2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573698	0	39	-1.0	-40.67	323.56	1.63	-39.04
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN=C1Br	REAL300025573699	0	27	-1.0	-35.87	266.35	-0.86	-36.73
COCCOC1=CC(OC)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573700	0	39	-1.0	-43.15	333.30	1.07	-42.08
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCC2CC2)=C1	REAL300025573701	0	39	-1.0	-40.62	331.35	3.41	-37.21
CC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1CC1=CSC=C1	REAL300025573702	0	40	-1.0	-44.13	360.50	5.01	-39.12
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1F	REAL300025573703	0	33	-1.0	-40.80	295.57	3.12	-37.68
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)SC=N1	REAL300025573704	0	30	-1.0	-41.45	285.15	1.87	-39.58
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=C(Cl)C=C1	REAL300025573705	0	39	-1.0	-36.38	328.24	4.55	-31.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300025573706	0	27	-1.0	-35.79	268.00	2.60	-33.19
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573707	0	42	-1.0	-41.77	342.95	0.74	-41.03
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025573708	0	35	-1.0	-40.67	315.87	1.60	-39.07
CC1=C(Br)SC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573709	0	24	-1.0	-34.45	249.02	1.31	-33.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC(O)=CC=C1C(F)(F)F	REAL300025573710	0	28	-1.0	-39.75	262.28	-0.77	-40.52
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=C(Br)C=C2C1=O	REAL300025573711	0	34	-1.0	-41.22	325.77	2.75	-38.47
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573712	0	44	-1.0	-39.93	369.03	1.49	-38.44
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025573713	0	45	-1.0	-39.30	367.37	4.01	-35.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=NC=C1Cl	REAL300025573714	0	23	-1.0	-33.94	250.48	0.29	-33.65
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025573715	0	30	-1.0	-37.32	285.24	2.91	-34.41
CC1=NC(C#N)=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)O1	REAL300025573716	0	39	-1.0	-41.76	335.85	-2.40	-44.16
CSC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025573717	0	30	-1.0	-47.14	287.66	3.94	-43.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300025573718	0	27	-1.0	-35.31	265.38	2.11	-33.20
CC(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025573719	0	35	-1.0	-37.02	306.12	3.54	-33.48
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2Cl)CC1	REAL300025573720	0	34	-1.0	-36.42	308.63	3.93	-32.49
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300025573721	0	38	-1.0	-38.06	344.63	3.50	-34.56
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573722	0	42	-1.0	-41.75	342.96	0.75	-41.00
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300025573723	0	29	-2.0	-83.33	279.52	0.90	-82.43
COC1=NC(C)=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573724	0	30	-1.0	-37.37	285.81	0.15	-37.22
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573725	0	40	-1.0	-35.63	323.34	-0.71	-36.34
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573726	0	34	-1.0	-36.82	310.03	3.24	-33.58
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CN(C)C2=CC=CC=C12	REAL300025573727	0	37	-1.0	-39.30	318.04	4.07	-35.23
O=C(NCC1=NC(=O)O[N-]1)C1CC=CCC1C(=O)N1CCOCC1	REAL300025573728	0	43	-1.0	-43.26	344.22	0.99	-42.27
CCOC1=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL300025573729	0	38	-1.0	-43.05	327.65	2.04	-41.01
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300025573730	0	36	-1.0	-48.40	317.91	3.41	-44.99
O=C(CC1=CC=C(F)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025573731	0	27	-1.0	-36.72	270.37	2.30	-34.42
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C(F)(F)F	REAL300025573732	0	31	-1.0	-41.75	284.40	-0.17	-41.92
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCS(=O)(=O)CC2	REAL300025573733	0	34	-1.0	-46.38	297.66	-1.49	-47.87
CN(C(=O)OC(C)(C)C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CN(C)N=C1	REAL300025573734	0	47	-1.0	-44.27	383.20	1.68	-42.59
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(=O)C2=CC=CC=C2)N=CN1	REAL300025573735	0	33	-1.0	-45.22	295.43	4.11	-41.11
CC(C(=O)NCC1=NC(=O)O[N-]1)C1CN(C(=O)OC(C)(C)C)C1	REAL300025573736	0	44	-1.0	-40.47	359.06	1.55	-38.92
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC(C(F)(F)F)=N1	REAL300025573737	0	28	-1.0	-39.34	275.85	0.09	-39.25
COCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025573738	0	35	-1.0	-38.77	318.52	1.07	-37.70
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025573739	0	36	-1.0	-38.45	327.71	4.34	-34.11
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL300025573740	0	30	-1.0	-37.01	288.77	2.63	-34.38
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2C)=N1	REAL300025573741	0	36	-1.0	-37.37	320.76	3.73	-33.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1CCOCC1	REAL300025573742	0	37	-1.0	-38.85	306.45	1.20	-37.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1N1CCOCC1	REAL300025573743	0	37	-1.0	-38.48	312.86	1.28	-37.20
CC1=CC(C)=C2NC=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025573744	0	36	-1.0	-55.45	309.37	2.60	-52.85
CN(C)C(=O)COC1=CC=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573745	0	41	-1.0	-44.92	363.55	2.65	-42.27
CC(C)(C)OC(=O)N1CCCC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025573746	0	48	-1.0	-38.17	375.52	4.27	-33.90
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025573747	0	37	-1.0	-36.33	327.89	3.38	-32.95
CC(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573748	0	36	-1.0	-42.99	320.63	0.06	-42.93
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025573749	0	34	-1.0	-41.49	312.71	-2.86	-44.35
CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025573750	0	31	-1.0	-41.63	293.71	-4.69	-46.32
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025573751	0	45	-1.0	-39.24	372.33	3.38	-35.86
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(F)=C2)CCC1	REAL300025573752	0	37	-1.0	-42.63	312.86	4.09	-38.54
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(OC)C=C1	REAL300025573753	0	41	-1.0	-40.01	348.27	2.64	-37.37
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1C	REAL300025573754	0	40	-1.0	-39.81	336.97	4.27	-35.54
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025573755	0	37	-1.0	-37.95	335.78	3.85	-34.10
O=C(NCC1=NC(=O)O[N-]1)C1(CCOCC2=CC=CC=C2)CC1	REAL300025573756	0	41	-1.0	-39.08	354.14	3.78	-35.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL300025573757	0	32	-1.0	-40.49	289.73	2.56	-37.93
CC1(C2=CC=C(F)C(Cl)=C2)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025573758	0	39	-1.0	-44.54	363.48	1.31	-43.23
CC(C)(C)OC(=O)N1CC2CC(C(=O)NCC3=NC(=O)O[N-]3)CC(C1)C2=O	REAL300025573759	0	50	-1.0	-42.11	383.20	3.28	-38.83
CC1=NC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025573760	0	25	-1.0	-36.61	251.72	-0.30	-36.91
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025573761	0	40	-1.0	-37.74	341.36	5.95	-31.79
COC1=CC=C(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C=C1OC	REAL300025573762	0	42	-1.0	-44.55	366.34	1.87	-42.68
CN1C(=O)NC2=NC=C(C3=CC=CC(C(=O)NCC4=NC(=O)O[N-]4)=C3)C=C21	REAL300025573763	0	40	-1.0	-43.73	348.31	2.57	-41.16
CC1=CC=C(C2=CNC=C2C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025573764	0	32	-1.0	-42.74	297.29	2.50	-40.24
CCN1C=C(C2=NNC=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025573765	0	34	-1.0	-42.77	302.53	-0.27	-43.04
CCN1C=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2)C=N1	REAL300025573765	1	34	-1.0	-42.96	303.24	-0.40	-43.36
O=C(CCCCCC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025573766	0	39	-1.0	-37.87	338.06	4.95	-32.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300025573767	0	27	-1.0	-33.80	276.89	2.57	-31.23
CC12CC3(C)CC(C)(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C2)C3	REAL300025573768	0	47	-1.0	-35.99	346.44	4.45	-31.54
CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025573769	0	33	-1.0	-37.00	305.78	3.68	-33.32
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=CC=C2F)S1	REAL300025573770	0	33	-1.0	-38.47	317.08	2.72	-35.75
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1Cl	REAL300025573771	0	32	-1.0	-38.18	294.99	1.54	-36.64
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573772	0	44	-1.0	-43.23	355.53	1.80	-41.43
O=C(NCC1=NC(=O)O[N-]1)C(O)CC1=CC=CC(C(F)(F)F)=C1	REAL300025573773	0	34	-1.0	-37.96	315.62	1.46	-36.50
CC(C)(C)C1=NN=C2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN21	REAL300025573774	0	38	-1.0	-38.21	318.38	3.41	-34.80
CCCCOC1=CC(OC)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573775	0	41	-1.0	-40.11	342.67	3.42	-36.69
O=C(CC1(CSC2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025573776	0	38	-1.0	-37.76	334.26	4.93	-32.83
O=C(CCCCC(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025573777	0	38	-1.0	-40.08	336.76	3.99	-36.09
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL300025573778	0	30	-1.0	-40.59	283.00	-0.50	-41.09
CCN1C=C(C2=NN(C)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025573779	0	37	-1.0	-43.60	325.35	1.04	-42.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1Br	REAL300025573780	0	24	-1.0	-36.05	258.68	2.30	-33.75
COC1=CC2=CC=C([C@H](C)C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025573781	0	40	-1.0	-39.56	336.93	3.80	-35.76
O=C(NCC1=NC(=O)O[N-]1)C1=C(I)C=NN1	REAL300025573782	0	21	-1.0	-34.00	227.99	-1.38	-35.38
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1OC	REAL300025573783	0	41	-1.0	-43.57	348.46	2.80	-40.77
O=C(CCC(=O)C1=CC=C(Cl)C=N1)NCC1=NC(=O)O[N-]1	REAL300025573784	0	31	-1.0	-37.80	300.61	1.20	-36.60
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573785	0	34	-1.0	-45.94	304.25	1.16	-44.78
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(Cl)S1	REAL300025573786	0	28	-1.0	-37.89	285.34	0.83	-37.06
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(Cl)S2)NN=C1	REAL300025573786	1	28	-1.0	-37.28	285.77	0.73	-36.55
CC1=CN(C2=C(C(=O)NCC3=NC(=O)O[N-]3)C(C)=NN2C)N=C1	REAL300025573787	0	37	-1.0	-45.58	326.15	1.84	-43.74
CSCC(C)C(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025573788	0	44	-1.0	-40.40	364.31	2.55	-37.85
N#CC1=CC=CC(N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025573789	0	32	-1.0	-51.39	303.34	2.59	-48.80
CC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025573790	0	27	-1.0	-37.79	276.90	1.90	-35.89
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573791	0	40	-1.0	-37.73	345.67	1.86	-35.87
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573792	0	34	-1.0	-43.16	307.33	2.95	-40.21
O=C(NCC1=NC(=O)O[N-]1)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL300025573793	0	30	-1.0	-35.92	288.28	2.76	-33.16
CCC(C)(C)C1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025573794	0	48	-1.0	-35.21	341.60	4.26	-30.95
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2N=C1	REAL300025573795	0	33	-1.0	-42.44	293.91	0.49	-41.95
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)CC(=O)C1=CC=CC=C1	REAL300025573796	0	41	-1.0	-41.86	331.26	4.18	-37.68
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CC(=O)C1	REAL300025573797	0	33	-1.0	-39.00	312.85	2.98	-36.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Br)=C2C=C1	REAL300025573798	0	30	-1.0	-37.72	285.56	3.83	-33.89
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025573799	0	33	-1.0	-36.05	300.42	3.27	-32.78
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1	REAL300025573800	0	32	-1.0	-39.94	319.13	3.38	-36.56
COC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C(F)=C1	REAL300025573801	0	37	-1.0	-39.83	338.08	1.88	-37.95
CCN1N=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)N=C21	REAL300025573802	0	35	-1.0	-36.98	303.68	1.74	-35.24
COCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)S1	REAL300025573803	0	37	-1.0	-43.01	340.72	1.63	-41.38
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(I)C=C2)CC1	REAL300025573804	0	31	-1.0	-36.72	300.33	3.84	-32.88
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300025573805	0	40	-1.0	-34.90	331.43	0.91	-33.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N=C(N3CCCC3)S2)S1	REAL300025573806	0	35	-1.0	-38.03	325.34	1.42	-36.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(OC(F)(F)F)=C1	REAL300025573807	0	28	-1.0	-34.26	287.50	1.51	-32.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C2=NC=CC=C12	REAL300025573808	0	29	-1.0	-36.89	273.69	2.02	-34.87
CCOC(=O)OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573809	0	34	-1.0	-37.88	309.35	2.98	-34.90
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCC1=CC(Br)=CC=C12	REAL300025573810	0	35	-1.0	-37.51	315.27	4.76	-32.75
COC1=CC=C(C(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573811	0	42	-1.0	-46.82	348.52	1.96	-44.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL300025573812	0	34	-1.0	-38.92	308.70	2.26	-36.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC1=CC=CC=C1[N+](=O)[O-]	REAL300025573813	0	37	-1.0	-44.50	339.08	5.62	-38.88
CC1=CC=CC(OC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573814	0	38	-1.0	-42.66	330.77	5.79	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=NC=C1	REAL300025573815	0	34	-1.0	-41.26	302.68	3.30	-37.96
CC(C)(COCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573816	0	40	-1.0	-35.92	337.54	3.19	-32.73
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL300025573817	0	36	-1.0	-43.10	334.87	3.25	-39.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC=C1OC1=CC=CC=C1	REAL300025573818	0	34	-1.0	-38.50	302.69	3.23	-35.27
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(N2CCOCC2)S1	REAL300025573819	0	43	-1.0	-39.69	369.46	1.55	-38.14
CC1=NN(C)C(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573820	0	27	-1.0	-37.86	269.77	-0.24	-38.10
O=C(CC1=C(F)C=CC(Br)=C1F)NCC1=NC(=O)O[N-]1	REAL300025573821	0	27	-1.0	-38.18	276.96	2.39	-35.79
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C(Cl)=C1	REAL300025573822	0	29	-1.0	-39.16	279.14	1.91	-37.25
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C(CC(C)(C)C)=NOC2=N1	REAL300025573823	0	46	-1.0	-34.59	367.87	2.48	-32.11
CCCC1=NOC2=NC(CC)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025573824	0	40	-1.0	-35.95	338.58	0.86	-35.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC(Cl)=N1	REAL300025573825	0	26	-1.0	-36.13	274.26	0.74	-35.39
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2(O)CCOCC2)OC=C1	REAL300025573826	0	36	-1.0	-39.22	300.17	-1.30	-40.52
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C2=CC=CC=C2Cl)=NO1	REAL300025573827	0	35	-1.0	-45.20	320.25	2.63	-42.57
CC(C)C(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025573828	0	46	-1.0	-40.52	361.95	0.80	-39.72
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL300025573829	0	27	-1.0	-42.58	285.07	2.49	-40.09
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CCOC1=CC=C(F)C=C1	REAL300025573830	0	40	-1.0	-43.17	355.96	1.38	-41.79
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573831	0	37	-1.0	-35.42	341.40	1.43	-33.99
CN1C=C(OC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025573832	0	35	-1.0	-43.52	311.81	2.83	-40.69
COC1=CC=CC=C1N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025573833	0	38	-1.0	-43.56	328.23	2.15	-41.41
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573834	0	40	-1.0	-40.62	338.10	2.99	-37.63
CCC(O)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025573835	0	34	-1.0	-37.13	301.36	0.94	-36.19
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300025573836	0	33	-1.0	-39.97	317.53	3.52	-36.45
O=C(CN1CCC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025573837	0	35	-1.0	-45.53	304.88	2.18	-43.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN1C1=C(Cl)C=CC=C1Cl	REAL300025573838	0	32	-1.0	-33.37	316.35	5.41	-27.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL300025573839	0	28	-1.0	-35.11	277.51	1.36	-33.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC(F)(F)F	REAL300025573840	0	34	-1.0	-38.13	311.65	3.86	-34.27
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=CC=C1F	REAL300025573841	0	32	-1.0	-45.10	293.31	2.63	-42.47
CCCCCCCCCC(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573842	0	50	-1.0	-35.29	392.68	6.20	-29.09
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC=C12	REAL300025573843	0	37	-1.0	-39.42	315.17	3.10	-36.32
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CN=CC(Br)=C2)CC1	REAL300025573844	0	30	-1.0	-37.32	288.89	1.56	-35.76
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025573845	0	40	-1.0	-50.76	341.60	1.02	-49.74
O=C(CC1=C(Br)C(=O)NC=C1)NCC1=NC(=O)O[N-]1	REAL300025573846	0	27	-1.0	-46.63	267.64	-0.86	-47.49
COC1=CC=CC(C(C)CCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573847	0	43	-1.0	-38.46	353.92	3.73	-34.73
CC1=CC(F)=CC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025573848	0	33	-1.0	-40.62	306.28	1.48	-39.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL300025573849	0	32	-1.0	-37.70	302.61	2.90	-34.80
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC(C)=C(C)C=C21	REAL300025573850	0	36	-1.0	-39.31	313.84	4.28	-35.03
O=C(NCC1=NC(=O)O[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300025573851	0	34	-1.0	-37.57	306.75	4.03	-33.54
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)NC2=CC=C(Br)C=C21	REAL300025573852	0	32	-1.0	-41.50	302.71	0.69	-40.81
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(C)=C1	REAL300025573853	0	43	-1.0	-40.25	361.58	4.79	-35.46
C[C@H](OC1=CC=C(I)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573854	0	31	-1.0	-36.35	299.07	3.33	-33.02
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1CC1=CC=CC=C1	REAL300025573855	0	37	-1.0	-40.92	314.07	2.83	-38.09
C[C@H](OC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573856	0	31	-1.0	-36.61	292.59	2.85	-33.76
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025573857	0	51	-1.0	-39.51	391.48	2.04	-37.47
CC(C)(C)OC(=O)NC(CCC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573858	0	43	-1.0	-35.74	362.97	0.44	-35.30
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1	REAL300025573859	0	31	-1.0	-42.85	312.87	4.29	-38.56
COC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1O	REAL300025573860	0	36	-1.0	-41.80	315.23	-1.26	-43.06
COC(CNC(=O)OC(C)(C)C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573861	0	44	-1.0	-40.04	359.21	-0.81	-40.85
CC1=CC=C2NC=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025573862	0	33	-1.0	-56.63	291.53	1.83	-54.80
NC(C(=O)NCC1=NC(=O)O[N-]1)(C1=CC=CC(F)=C1)C(F)(F)F	REAL300025573863	0	32	-1.0	-39.29	292.99	-0.15	-39.44
O=C(CCC(=O)NCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300025573864	0	44	-2.0	-88.24	384.77	1.05	-87.19
O=C(CCC(=O)NC1=NN=C(C2CCCCC2)S1)NCC1=NC(=O)O[N-]1	REAL300025573864	1	45	-1.0	-46.66	388.05	2.18	-44.48
CC(C)(C)OC(=O)N1CCC(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025573865	0	48	-1.0	-40.04	393.70	1.09	-38.95
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)C=C2Cl)=NO1	REAL300025573866	0	33	-1.0	-36.93	335.17	3.86	-33.07
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)C(Cl)=C2)=NO1	REAL300025573867	0	33	-1.0	-35.88	332.98	3.67	-32.21
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300025573868	0	33	-2.0	-108.69	330.04	1.88	-106.81
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573869	0	44	-1.0	-36.57	368.65	2.10	-34.47
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025573870	0	33	-1.0	-39.63	298.85	2.81	-36.82
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC(Cl)=C2Cl)=NO1	REAL300025573871	0	33	-1.0	-38.95	333.59	3.81	-35.14
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=C(Cl)C=CC=C2Cl)=NO1	REAL300025573872	0	39	-1.0	-39.28	371.97	5.13	-34.15
C[Si](C)(C)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573873	0	39	-1.0	-39.36	338.62	6.22	-33.14
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=C(Cl)C=CC=C2Cl)=NO1	REAL300025573874	0	39	-1.0	-39.37	370.73	4.96	-34.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C2=C1OCCC2	REAL300025573875	0	32	-1.0	-38.50	290.70	3.47	-35.03
CC1=NC(CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)=NO1	REAL300025573876	0	34	-1.0	-45.62	311.16	-2.74	-48.36
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(C(F)(F)F)C=C1	REAL300025573877	0	39	-1.0	-44.92	354.74	2.60	-42.32
CC1=NC(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)=NO1	REAL300025573878	0	31	-1.0	-47.31	295.25	-3.27	-50.58
CCC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025573879	0	27	-1.0	-34.61	265.05	-0.55	-35.16
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300025573880	0	39	-1.0	-44.38	343.90	2.38	-42.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1F	REAL300025573881	0	24	-1.0	-35.06	262.99	2.22	-32.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(Cl)=C1F	REAL300025573882	0	24	-1.0	-35.43	261.20	2.18	-33.25
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300025573883	0	42	-1.0	-45.19	361.89	3.36	-41.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=C1[N+](=O)[O-]	REAL300025573884	0	40	-1.0	-45.89	359.07	5.67	-40.22
CN(C)C1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025573885	0	34	-1.0	-40.82	305.76	2.40	-38.42
N#CCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025573886	0	38	-1.0	-49.90	340.12	4.89	-45.01
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC2=CC=CC=C2C1=O	REAL300025573887	0	36	-1.0	-42.00	310.85	2.86	-39.14
CN1N=CC2=C1N(C)C=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025573888	0	33	-1.0	-56.95	287.37	1.03	-55.92
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=C(Cl)C=CC=C1Cl	REAL300025573889	0	30	-1.0	-40.06	300.18	1.70	-38.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC2=CC=C(F)C=C2F)=C1	REAL300025573890	0	34	-1.0	-37.57	321.32	1.48	-36.09
CC(C)(CC1=NC2=CC=CC=C2N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573891	0	39	-1.0	-39.11	324.19	2.52	-36.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300025573892	0	36	-1.0	-44.74	322.45	1.67	-43.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C1NC1=CC=CC=C1C2=O	REAL300025573893	0	36	-1.0	-38.41	313.63	3.39	-35.02
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573894	0	50	0.0	-58.65	395.08	6.57	-52.08
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573894	1	50	0.0	-58.12	394.45	6.52	-51.60
CC(C)N1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573894	1	49	-1.0	-40.66	389.26	4.20	-36.46
CCOC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1	REAL300025573895	0	34	-1.0	-39.38	301.40	-1.55	-40.93
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025573896	0	33	-1.0	-38.16	286.74	3.03	-35.13
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300025573897	0	35	-1.0	-36.35	319.65	2.87	-33.48
N#CC1=CC=CC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025573898	0	31	-1.0	-41.67	300.68	2.43	-39.24
O=C(CC1=CC=CC(N2CCCC2=O)=C1)NCC1=NC(=O)O[N-]1	REAL300025573899	0	38	-1.0	-48.00	323.08	2.85	-45.15
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025573900	0	37	-1.0	-42.80	325.33	3.29	-39.51
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573901	0	37	-1.0	-40.05	316.34	4.53	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025573902	0	42	-1.0	-41.19	362.64	3.06	-38.13
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573903	0	35	-1.0	-45.53	308.76	2.15	-43.38
COC1=CC=C(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1OC	REAL300025573904	0	38	-1.0	-38.84	346.54	1.19	-37.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2N=CC3=CC=CC=C32)C=C1Cl	REAL300025573905	0	37	-1.0	-40.42	337.32	4.83	-35.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1CCCC1	REAL300025573906	0	39	-1.0	-43.12	325.91	1.43	-41.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCOC2)C=C1	REAL300025573907	0	36	-1.0	-38.67	306.35	0.70	-37.97
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)S2)=N1	REAL300025573908	0	31	-1.0	-38.66	308.25	2.15	-36.51
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC(F)F)=C1	REAL300025573909	0	32	-1.0	-40.17	287.58	1.20	-38.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1C(=O)C1=CC=CC=C1	REAL300025573910	0	36	-1.0	-37.81	331.17	4.51	-33.30
CC(C)(C)C(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025573911	0	46	-1.0	-39.42	361.14	2.08	-37.34
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(Br)C=C2)=NO1	REAL300025573912	0	36	-1.0	-36.59	343.60	4.42	-32.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1N1C=CC=N1	REAL300025573913	0	31	-1.0	-42.94	283.99	2.97	-39.97
O=C(CC1=CC=CC(Cl)=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025573914	0	27	-1.0	-38.32	275.16	2.62	-35.70
CC1=CC=CC=C1N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(C)C	REAL300025573915	0	43	-1.0	-39.10	348.53	4.71	-34.39
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025573916	0	43	-1.0	-42.13	361.35	0.35	-41.78
CCOC1=CC=C(C2=NC(CC)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025573917	0	43	-1.0	-37.51	377.75	3.53	-33.98
O=C(CC1=CSC2=CC=C(Br)C=C12)NCC1=NC(=O)O[N-]1	REAL300025573918	0	30	-1.0	-37.95	303.34	3.70	-34.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC1=CC=CC=C1F	REAL300025573919	0	37	-1.0	-40.80	330.36	3.06	-37.74
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1F	REAL300025573920	0	36	-1.0	-42.63	323.17	1.58	-41.05
O=C(CN1C=CC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025573921	0	33	-1.0	-46.47	296.27	2.62	-43.85
O=C(CC1=CC=C(I)C=C1)NCC1=NC(=O)O[N-]1	REAL300025573922	0	27	-1.0	-36.23	273.53	2.83	-33.40
CC1=CC=CC2=C1C(C)CC2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573923	0	40	-1.0	-38.12	318.54	4.55	-33.57
CC(O)(CN1C=C(C(F)(F)F)C=CC1=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573924	0	37	-1.0	-40.35	332.21	-0.25	-40.60
CC(C)(C)CC(CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573925	0	52	-1.0	-38.61	382.90	2.06	-36.55
O=C(CCCC(=O)C1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025573926	0	35	-1.0	-43.28	330.16	3.77	-39.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300025573927	0	40	0.0	-62.13	324.28	4.10	-58.03
COC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C(F)C=C1	REAL300025573928	0	32	-1.0	-38.93	290.88	0.34	-38.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N2C=C(Br)C=CC2=N1	REAL300025573929	0	30	-1.0	-38.76	294.25	2.49	-36.27
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2C)=NO1	REAL300025573930	0	36	-1.0	-39.41	314.02	3.51	-35.90
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573931	0	44	-1.0	-44.63	355.46	2.26	-42.37
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1I	REAL300025573932	0	30	-1.0	-36.62	282.51	3.37	-33.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1	REAL300025573933	0	36	-1.0	-38.99	323.74	1.83	-37.16
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573934	0	33	-1.0	-40.51	305.65	2.66	-37.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1CCCCC1	REAL300025573935	0	42	-1.0	-37.31	333.86	3.66	-33.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300025573936	0	43	0.0	-62.36	341.03	4.81	-57.55
CC(C)(C)OC(=O)N1CC2(CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573937	0	42	-1.0	-42.47	348.88	1.67	-40.80
CN1N=C(C(F)F)C2=C1SC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025573938	0	30	-1.0	-38.78	297.91	0.99	-37.79
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573939	0	37	-1.0	-39.76	317.26	4.51	-35.25
CC(C)CN1C=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025573940	0	40	-1.0	-42.17	327.97	4.69	-37.48
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025573941	0	37	-1.0	-36.39	322.74	2.45	-33.94
COC1=CC=C(OC)C(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)C2)=C1	REAL300025573942	0	40	-1.0	-45.61	345.97	1.26	-44.35
COC1=CC=CC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)C2)=C1	REAL300025573943	0	36	-1.0	-42.43	318.66	1.69	-40.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1	REAL300025573944	0	32	-1.0	-39.39	306.41	0.66	-38.73
CC(C)(C)OC(=O)NC1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573945	0	47	-1.0	-39.25	384.76	3.07	-36.18
CC1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025573946	0	24	-1.0	-36.52	250.36	1.28	-35.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2[N-]C(CC3=CC=CC=C3)=CC2=O)C=C1	REAL300025573947	0	44	-2.0	-85.07	386.67	5.16	-79.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2NC(CC3=CC=CC=C3)=CC2=O)C=C1	REAL300025573947	1	45	-1.0	-49.00	388.67	5.27	-43.73
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=CC=C1F	REAL300025573948	0	23	-1.0	-41.22	244.36	-0.09	-41.31
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573949	0	44	-1.0	-37.68	359.03	1.97	-35.71
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=NO1	REAL300025573950	0	36	-1.0	-38.93	332.56	4.06	-34.87
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025573951	0	36	-1.0	-38.41	322.50	3.49	-34.92
O=C(NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1)C1CC1	REAL300025573952	0	41	-1.0	-39.82	333.23	1.62	-38.20
CN(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OCC1=CC=CC=C1	REAL300025573953	0	41	-1.0	-41.02	359.05	3.03	-37.99
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573954	0	42	0.0	-61.27	329.30	3.98	-57.29
CS(=O)(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025573955	0	35	-1.0	-44.50	333.18	-1.22	-45.72
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025573956	0	45	-1.0	-41.87	380.34	3.47	-38.40
O=C(COC1=CC=CC(I)=C1)NCC1=NC(=O)O[N-]1	REAL300025573957	0	28	-1.0	-38.25	282.45	2.72	-35.53
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC(F)=C1	REAL300025573958	0	30	-1.0	-38.18	278.71	0.80	-37.38
CS(=O)(=O)CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025573959	0	39	-1.0	-48.19	347.07	0.46	-47.73
CCCC(CCCS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573960	0	41	-1.0	-45.75	345.82	-0.37	-46.12
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCC(C)C)=C1	REAL300025573961	0	41	-1.0	-40.26	341.28	3.31	-36.95
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC(Br)=CC=C2O1	REAL300025573962	0	29	-1.0	-36.90	281.68	2.55	-34.35
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Br)CC1	REAL300025573963	0	31	-1.0	-39.58	289.48	3.42	-36.16
O=C(CCOCC(F)(F)C(F)F)NCC1=NC(=O)O[N-]1	REAL300025573964	0	30	-1.0	-39.01	285.42	0.26	-38.75
CC(NC(=O)OC(C)(C)C)C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573965	0	43	-1.0	-39.31	341.64	-0.12	-39.43
CCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025573966	0	37	-1.0	-40.54	316.66	2.92	-37.62
CC(CCC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025573967	0	43	-1.0	-38.63	353.51	0.39	-38.24
CCCOC1=CC(OC)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573968	0	38	-1.0	-40.16	321.17	2.64	-37.52
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC(C)C)=C1	REAL300025573969	0	38	-1.0	-40.41	317.59	2.44	-37.97
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1F	REAL300025573970	0	33	-1.0	-38.31	296.11	3.14	-35.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1	REAL300025573971	0	34	-1.0	-44.56	319.51	3.81	-40.75
CC(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025573972	0	40	-1.0	-40.55	338.02	3.62	-36.93
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OCCOC(C)C)=C1	REAL300025573973	0	45	-1.0	-43.20	375.43	2.79	-40.41
CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OCC1=CC=CC=C1	REAL300025573974	0	38	-1.0	-42.67	338.02	2.70	-39.97
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1C	REAL300025573975	0	33	-1.0	-38.37	295.91	1.73	-36.64
O=C(CCCCCN1C(=O)C2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025573976	0	43	-1.0	-44.87	376.48	3.69	-41.18
CC(C)(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025573977	0	43	-1.0	-40.52	353.96	3.80	-36.72
CC1=NC2=CC=CC=C2N1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573978	0	36	-1.0	-39.95	313.89	3.07	-36.88
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1	REAL300025573979	0	38	-1.0	-37.81	324.20	1.41	-36.40
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL300025573980	0	40	-1.0	-39.58	328.67	2.92	-36.66
CCCCS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573981	0	39	-1.0	-42.17	346.24	1.06	-41.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)C=N1	REAL300025573982	0	30	-1.0	-39.84	289.28	0.00	-39.84
CC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1C	REAL300025573983	0	30	-1.0	-49.08	279.02	1.12	-47.96
CC(C)(C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(F)(F)F	REAL300025573984	0	36	-1.0	-36.82	310.45	3.57	-33.25
COC1=CC=C(C(=O)CCCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573985	0	45	-1.0	-44.35	381.16	4.02	-40.33
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL300025573986	0	32	-1.0	-43.31	300.15	2.60	-40.71
O=C(CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025573987	0	35	-1.0	-41.96	340.74	4.12	-37.84
O=C(CCCC(=O)C1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025573988	0	41	-1.0	-48.09	353.31	2.31	-45.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCCCC2=O	REAL300025573989	0	36	-1.0	-38.52	304.13	3.22	-35.30
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=NC=C1	REAL300025573991	0	35	-1.0	-45.68	311.10	-0.15	-45.83
CC1=CC(Br)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025573992	0	27	-1.0	-36.18	272.80	2.77	-33.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=C(F)C=C2O1	REAL300025573993	0	29	-1.0	-35.59	277.44	1.37	-34.22
COCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573994	0	41	-1.0	-37.07	342.84	-2.13	-39.20
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCOC1	REAL300025573995	0	42	-1.0	-41.56	339.86	-1.93	-43.49
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573996	0	42	-1.0	-47.80	365.38	0.99	-46.81
N#CC1=CC(F)=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025573997	0	32	-1.0	-39.30	299.12	3.22	-36.08
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(C#N)=C1	REAL300025573998	0	34	-1.0	-36.88	304.01	3.12	-33.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1OCC1CC1	REAL300025573999	0	34	-1.0	-37.34	321.00	2.13	-35.21
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C2=CC=C(Cl)C=C2C#N)CC1	REAL300025574000	0	43	-1.0	-35.69	369.08	3.98	-31.71
CC(CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574001	0	40	-1.0	-39.78	329.75	-0.70	-40.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC(Br)=C21	REAL300025574002	0	30	-1.0	-43.29	280.16	4.01	-39.28
COC1=CC=C(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C=C1	REAL300025574003	0	45	-1.0	-40.37	388.43	2.92	-37.45
NS(=O)(=O)CCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574004	0	37	-1.0	-46.41	328.45	-3.13	-49.54
CC(C)C1=CC=C2OC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025574005	0	36	-1.0	-39.41	309.97	3.30	-36.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1	REAL300025574006	0	39	-1.0	-42.84	340.99	5.36	-37.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL300025574007	0	34	-1.0	-41.98	304.70	1.23	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1	REAL300025574008	0	38	-1.0	-45.67	333.16	3.06	-42.61
CNS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574009	0	37	-1.0	-43.46	316.99	-3.67	-47.13
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574010	0	41	-1.0	-44.13	337.48	1.97	-42.16
COC1=CC2=C(C=C1OC)N(C)C(=O)C(C(=O)NCC1=NC(=O)O[N-]1)=N2	REAL300025574011	0	40	-1.0	-47.74	343.38	0.66	-47.08
N#CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)C2)C(F)=C1	REAL300025574012	0	37	-1.0	-37.02	326.58	1.89	-35.13
CC(C)(C)OC(=O)N1CCOCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574013	0	45	-1.0	-38.40	352.97	0.05	-38.35
N#CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C(F)=C1	REAL300025574014	0	40	-1.0	-39.93	346.62	2.92	-37.01
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574015	0	33	-1.0	-37.66	286.13	2.00	-35.66
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300025574016	0	34	-1.0	-38.13	320.81	3.21	-34.92
CC1=CC=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(Cl)N=C12	REAL300025574017	0	32	-1.0	-38.32	295.12	2.72	-35.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL300025574018	0	27	-1.0	-34.66	269.90	2.19	-32.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=N1	REAL300025574019	0	27	-1.0	-37.87	264.34	-0.93	-38.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(Br)C(Cl)=C1	REAL300025574020	0	24	-1.0	-32.58	262.90	2.17	-30.41
CC(CN1C=CC2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574021	0	37	-1.0	-37.06	316.28	4.28	-32.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=NNN=C21	REAL300025574022	0	26	-1.0	-38.56	262.90	-1.01	-39.57
O=C(CCOCC(F)(F)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025574023	0	30	-1.0	-36.03	291.16	0.37	-35.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1N1CCCC1	REAL300025574024	0	39	-1.0	-36.45	335.25	3.69	-32.76
CC(=O)C1=CC(Br)=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574025	0	33	-1.0	-45.55	316.57	3.73	-41.82
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Br)C(=O)N1	REAL300025574026	0	27	-1.0	-38.88	262.31	-0.76	-39.64
CC(C)CC1=CC=CC(C(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574027	0	42	-1.0	-36.41	342.89	4.95	-31.46
O=C(NCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C2=CC=CC=C21	REAL300025574028	0	34	-1.0	-43.73	300.36	-0.30	-44.03
CC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=CS1	REAL300025574029	0	33	-1.0	-38.76	305.39	2.45	-36.31
CN(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC2=CC=CC=C21	REAL300025574030	0	37	-1.0	-40.98	318.69	1.33	-39.65
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Br)=C1OC	REAL300025574031	0	32	-1.0	-36.32	303.99	1.01	-35.31
NC1=NC(C2CCCC2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574032	0	37	-1.0	-35.45	307.64	0.65	-34.80
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025574033	0	37	-1.0	-43.09	314.90	2.92	-40.17
CN(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025574034	0	40	-1.0	-40.01	332.16	1.08	-38.93
CC1=CC(CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)=NO1	REAL300025574035	0	35	-1.0	-45.86	317.41	-0.09	-45.95
O=C(NCC1=NC(=O)O[N-]1)C1=CSC=C1Br	REAL300025574036	0	21	-1.0	-37.07	230.12	0.58	-36.49
COC1=CC(C)=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574037	0	31	-1.0	-40.29	287.86	2.79	-37.50
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(Br)=C2)CC1	REAL300025574038	0	31	-1.0	-36.66	299.59	3.45	-33.21
CCC(C)(C)C1CCC2(CC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574039	0	49	-1.0	-35.66	357.90	5.13	-30.53
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CN=C2)=NO1	REAL300025574040	0	32	-1.0	-39.95	295.94	0.94	-39.01
O=C(CCCS(=O)(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025574041	0	36	-1.0	-45.11	344.63	0.84	-44.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300025574042	0	33	-1.0	-39.45	295.16	3.75	-35.70
CC1=NC2=C3C=CC=NC3=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574043	0	43	-1.0	-46.88	365.04	3.89	-42.99
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574044	0	41	-1.0	-38.90	345.45	5.65	-33.25
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300025574045	0	34	-1.0	-41.23	322.76	3.15	-38.08
CC1=C(Br)C=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574046	0	29	-1.0	-36.01	283.24	2.92	-33.09
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1Br	REAL300025574047	0	27	-1.0	-34.80	275.37	2.68	-32.12
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574048	0	39	-1.0	-37.54	340.99	4.60	-32.94
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300025574049	0	31	-2.0	-103.35	295.73	0.34	-103.01
O=C(NCC1=NC(=O)O[N-]1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300025574050	0	32	-1.0	-36.63	297.15	2.55	-34.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(F)=C1Br	REAL300025574051	0	24	-1.0	-33.99	259.82	2.23	-31.76
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)C=C1C	REAL300025574052	0	37	-1.0	-57.56	311.79	1.26	-56.30
CCN1CCC([NH+]2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025574053	0	51	0.0	-56.25	371.11	2.04	-54.21
CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025574053	1	52	1.0	-113.95	378.61	4.67	-109.28
CCN(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1Cl	REAL300025574054	0	38	-1.0	-38.77	326.59	1.94	-36.83
O=C(NCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)CC1	REAL300025574055	0	35	-1.0	-36.82	291.35	-0.52	-37.34
CS(=O)(=O)C1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574056	0	33	-1.0	-48.12	293.83	-0.37	-48.49
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C=NC2=CC=C(Cl)C=C21	REAL300025574057	0	30	-1.0	-39.54	292.83	-1.07	-40.61
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=CC=C(Cl)C=C21	REAL300025574057	1	29	-2.0	-92.39	289.26	-0.30	-92.69
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025574058	0	30	-1.0	-42.77	286.13	-1.41	-44.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C(F)=CC=C2N1	REAL300025574059	0	28	-1.0	-35.87	281.66	1.63	-34.24
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025574060	0	48	-1.0	-43.91	369.19	3.67	-40.24
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(SCC2CC2)=C1F	REAL300025574061	0	35	-1.0	-42.58	329.96	4.42	-38.16
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025574062	0	40	-1.0	-40.59	340.15	-0.41	-41.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1	REAL300025574063	0	34	-1.0	-38.02	323.74	2.70	-35.32
COC1=CC=CC=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025574064	0	38	-1.0	-41.06	336.35	2.02	-39.04
CN1C2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C(=O)N(C)C1=O	REAL300025574065	0	33	-1.0	-38.39	307.32	0.52	-37.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(N2CCOCC2)C(F)=C1	REAL300025574066	0	37	-1.0	-35.37	317.17	0.15	-35.22
COC1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2)C=C1	REAL300025574067	0	38	-1.0	-39.23	336.51	1.48	-37.75
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CN=C1	REAL300025574068	0	33	-1.0	-42.35	294.76	0.24	-42.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2S1	REAL300025574069	0	27	-1.0	-36.68	281.51	3.06	-33.62
COC1=CC=CC(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2)=C1	REAL300025574070	0	38	-1.0	-39.73	336.51	1.48	-38.25
O=C(CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025574071	0	40	-1.0	-42.67	345.48	5.13	-37.54
N#CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025574072	0	29	-1.0	-39.18	295.16	2.53	-36.65
CC1=CC=C(Br)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574073	0	30	-1.0	-36.72	283.81	2.83	-33.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1	REAL300025574074	0	33	-1.0	-37.25	303.73	4.31	-32.94
CC1=NN=C(CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)O1	REAL300025574075	0	34	-1.0	-49.74	311.69	-5.33	-55.07
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2N=C1C1CC1	REAL300025574076	0	35	-1.0	-41.01	306.82	1.84	-39.17
O=C(CN1C(=O)C(F)(F)C2=CC([N+](=O)[O-])=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025574077	0	34	-1.0	-42.55	328.93	2.76	-39.79
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CN(C)N=C1	REAL300025574078	0	33	-1.0	-43.72	298.40	-0.99	-44.71
CC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025574079	0	30	-1.0	-37.71	285.37	2.89	-34.82
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NCC1=NC(=O)O[N-]1	REAL300025574080	0	33	-1.0	-43.75	296.76	0.81	-42.94
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1OC	REAL300025574081	0	35	-1.0	-40.65	321.95	1.50	-39.15
CC(C)(C)OC(=O)N1CCCC1CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025574082	0	50	-1.0	-46.25	412.22	1.49	-44.76
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025574083	0	41	-1.0	-42.08	333.78	0.12	-41.96
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL300025574084	0	34	-1.0	-36.94	315.82	4.19	-32.75
CC1=NN(COCC[Si](C)(C)C)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574085	0	55	-1.0	-42.83	457.20	5.46	-37.37
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1F	REAL300025574086	0	30	-1.0	-36.89	281.11	2.10	-34.79
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C2(CC2)C1	REAL300025574087	0	45	-1.0	-38.34	364.38	2.20	-36.14
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574088	0	39	-1.0	-40.23	331.90	1.76	-38.47
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC=C1Br	REAL300025574089	0	27	-1.0	-38.49	270.68	2.18	-36.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL300025574090	0	34	-1.0	-41.55	312.67	0.35	-41.20
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025574091	0	39	-1.0	-47.25	339.23	1.51	-45.74
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)SC=C1	REAL300025574092	0	21	-1.0	-36.54	230.09	0.67	-35.87
COC1=CC=C(OC(F)(F)F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574093	0	32	-1.0	-39.18	294.39	1.38	-37.80
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC2=C1OC(F)(F)O2	REAL300025574094	0	30	-1.0	-33.68	276.52	0.84	-32.84
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574095	0	47	-1.0	-38.58	393.78	1.12	-37.46
O=C(CSCC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025574096	0	31	-1.0	-37.86	311.47	3.72	-34.14
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025574097	0	37	-1.0	-39.39	321.88	2.07	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2=C1N=C(NC1=CC=CC=C1)S2	REAL300025574098	0	42	-1.0	-42.60	359.24	4.45	-38.15
CC(C)(C)C(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025574099	0	39	-1.0	-47.51	332.33	1.63	-45.88
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025574100	0	30	-1.0	-36.78	276.67	2.92	-33.86
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025574101	0	27	-1.0	-36.76	267.51	2.61	-34.15
COC(=O)C[C@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025574102	0	50	-1.0	-46.68	409.03	2.69	-43.99
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1	REAL300025574103	0	32	-1.0	-38.10	312.83	1.66	-36.44
CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574104	0	52	-1.0	-37.85	388.69	4.27	-33.58
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)(C2=CC=CC(Cl)=C2)C1	REAL300025574105	0	37	-1.0	-36.18	325.87	4.46	-31.72
COCCN1C=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=N1	REAL300025574106	0	42	-1.0	-40.34	361.87	-0.28	-40.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL300025574107	0	27	-1.0	-37.22	276.48	-1.11	-38.33
N#CC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1Cl	REAL300025574108	0	36	-1.0	-42.64	336.46	2.81	-39.83
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025574109	0	34	-1.0	-45.58	308.30	-1.59	-47.17
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025574110	0	38	-1.0	-39.62	321.18	2.66	-36.96
CC1=CC=CC(CNC(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025574111	0	44	-1.0	-38.59	380.34	3.86	-34.73
O=C(NCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(Cl)C=C1F	REAL300025574112	0	34	-1.0	-39.48	311.20	4.02	-35.46
CC=CCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574113	0	38	-1.0	-39.30	331.72	3.41	-35.89
CN(C)C1=NC(Cl)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574114	0	28	-1.0	-39.20	278.55	0.38	-38.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)OCC2=CC=CC=C2)N1	REAL300025574115	0	38	-1.0	-36.82	346.99	3.37	-33.45
CC1=NN=NN1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025574116	0	32	-1.0	-40.63	292.96	1.15	-39.48
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574117	0	45	-1.0	-37.31	358.26	1.77	-35.54
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025574118	0	40	-1.0	-45.55	359.50	1.72	-43.83
CC(C)CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)F)=N1	REAL300025574119	0	36	-1.0	-39.28	316.78	2.05	-37.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Br)C=C1F	REAL300025574120	0	24	-1.0	-34.68	261.75	2.20	-32.48
CCN(CC)C1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)OC2=C1	REAL300025574121	0	43	-1.0	-50.91	362.77	4.81	-46.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1F	REAL300025574122	0	24	-1.0	-35.75	253.45	2.23	-33.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1Br	REAL300025574123	0	24	-1.0	-33.50	259.94	2.24	-31.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300025574124	0	29	-1.0	-40.66	284.48	3.74	-36.92
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CCN2C=CC=N2)C=C1	REAL300025574125	0	34	-1.0	-45.96	310.46	0.67	-45.29
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL300025574126	0	38	-1.0	-47.77	318.14	3.23	-44.54
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL300025574127	0	37	-1.0	-43.40	329.46	3.45	-39.95
CCN1C(=O)C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CN=C1	REAL300025574128	0	40	-1.0	-42.14	340.63	1.77	-40.37
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL300025574129	0	40	-1.0	-37.12	310.19	4.33	-32.79
O=C(NCC1=NC(=O)O[N-]1)C1COCCN1C(=O)OCC1=CC=CC=C1	REAL300025574130	0	43	-1.0	-43.98	363.30	2.12	-41.86
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574131	0	46	-1.0	-38.15	363.46	2.69	-35.46
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2)=C1	REAL300025574132	0	31	-1.0	-36.63	306.20	4.15	-32.48
CC1(C)OC(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025574133	0	34	-1.0	-49.62	295.83	3.64	-45.98
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300025574134	0	37	-1.0	-36.90	327.71	4.49	-32.41
COC1=CC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574135	0	31	-1.0	-37.43	287.13	2.61	-34.82
CCC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574136	0	27	-1.0	-34.92	275.89	2.17	-32.75
O=C(CCC1=CC(C(F)(F)F)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025574137	0	33	-1.0	-36.15	322.04	3.97	-32.18
CC(C)(C)OC(=O)N[C@@H](C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025574138	0	44	-1.0	-37.55	369.03	2.08	-35.47
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025574139	0	44	-1.0	-37.54	369.03	2.08	-35.46
CN(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025574140	0	39	-1.0	-39.28	324.04	3.14	-36.14
O=C(CC1=CSC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025574141	0	24	-1.0	-36.69	255.13	1.22	-35.47
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300025574142	0	36	-1.0	-42.68	325.17	2.01	-40.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL300025574143	0	33	-1.0	-40.73	295.57	-2.94	-43.67
CC1=CC(CC(C)(C)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025574144	0	39	-1.0	-35.15	336.20	4.56	-30.59
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC=C21	REAL300025574145	0	39	-1.0	-39.22	312.96	4.57	-34.65
CN(C)C1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574146	0	32	-1.0	-37.04	293.50	2.04	-35.00
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=NN(C)C=C1	REAL300025574147	0	33	-1.0	-45.42	299.55	0.17	-45.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300025574148	0	29	-1.0	-40.34	279.48	2.76	-37.58
O=C(NCC1=NC(=O)O[N-]1)C(=O)N1CCN(C2=CC=CC=C2)CC1	REAL300025574149	0	40	-1.0	-37.60	327.73	0.28	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCOCC1	REAL300025574150	0	41	-1.0	-38.70	332.77	2.74	-35.96
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Br)C=C2)C=C1	REAL300025574151	0	31	-1.0	-42.49	303.79	2.83	-39.66
COC1=CC=CC(C(=O)CCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574152	0	39	-1.0	-47.44	338.34	2.44	-45.00
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C(F)(F)F)=N1	REAL300025574153	0	26	-1.0	-32.95	266.60	-0.03	-32.98
COC(=O)C1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574154	0	30	-1.0	-37.15	297.18	2.31	-34.84
O=C(CC1=CNC2=CC=CC(Cl)=C12)NCC1=NC(=O)O[N-]1	REAL300025574155	0	31	-1.0	-42.34	290.32	2.14	-40.20
COC1=CC(Br)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025574156	0	32	-1.0	-36.90	295.97	0.91	-35.99
N#CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN=C1C(F)(F)F	REAL300025574157	0	27	-1.0	-34.42	274.21	0.57	-33.85
CC(C)C(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL300025574158	0	36	-1.0	-41.79	313.51	1.11	-40.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(F)=C1	REAL300025574159	0	28	-1.0	-38.13	266.49	0.72	-37.41
CC1CCCN(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=N2)C1	REAL300025574160	0	41	-1.0	-36.20	334.32	1.81	-34.39
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC2=CC=CC=C2)SC=N1	REAL300025574161	0	32	-1.0	-41.45	295.84	0.91	-40.54
CC1=CC=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574162	0	47	-1.0	-37.52	379.95	3.14	-34.38
CN1C=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025574163	0	24	-1.0	-42.21	245.97	-0.54	-42.75
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OC2CCOCC2)C(Cl)=C1	REAL300025574164	0	38	-1.0	-34.97	338.86	-0.31	-35.28
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NOC3=CC=C(Cl)C=C32)CC1	REAL300025574165	0	41	-1.0	-38.51	357.08	3.09	-35.42
CC1=CC(Cl)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025574166	0	29	-1.0	-39.50	280.46	2.86	-36.64
CC1(C)C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025574167	0	35	-1.0	-37.92	304.44	0.56	-37.36
O=C(CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL300025574168	0	34	-1.0	-43.97	315.56	3.03	-40.94
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCC3=NC(=O)O[N-]3)[C@H]2C1	REAL300025574169	0	42	-1.0	-39.34	347.38	1.87	-37.47
CC(C(=O)NCC1=NC(=O)O[N-]1)C1OCCC2=C1C=CS2	REAL300025574170	0	35	-1.0	-38.86	303.01	2.67	-36.19
O=C(NCC1=NC(=O)O[N-]1)C1CCC(OCC2CCCO2)CC1	REAL300025574171	0	45	-1.0	-38.11	358.19	1.64	-36.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1Cl	REAL300025574172	0	24	-1.0	-33.83	256.20	2.12	-31.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2C=N1	REAL300025574173	0	29	-1.0	-43.01	283.18	2.13	-40.88
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025574174	0	24	-1.0	-36.89	249.11	-0.34	-37.23
O=C(COC1=CC=C(Cl)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025574175	0	28	-1.0	-37.46	277.26	2.18	-35.28
COC1=CC=CC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025574176	0	34	-1.0	-45.36	307.96	0.05	-45.31
COCCOCCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL300025574177	0	38	-1.0	-38.22	335.63	-1.64	-39.86
O=C(CCN1C=C(Br)C=N1)NCC1=NC(=O)O[N-]1	REAL300025574178	0	27	-1.0	-36.75	269.83	0.32	-36.43
CN1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025574179	0	40	-1.0	-39.91	326.91	0.52	-39.39
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025574179	1	41	0.0	-66.89	334.27	3.38	-63.51
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025574179	1	41	0.0	-66.57	334.47	3.36	-63.21
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574180	0	37	-1.0	-36.20	321.36	3.87	-32.33
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N2C=C(Cl)C=CC2=N1	REAL300025574181	0	33	-1.0	-39.15	311.18	3.12	-36.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1	REAL300025574182	0	34	-1.0	-39.21	323.50	3.80	-35.41
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=C(Br)C=C21	REAL300025574183	0	30	-1.0	-36.39	296.11	3.68	-32.71
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300025574184	0	35	-1.0	-45.72	291.56	3.94	-41.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL300025574185	0	29	-1.0	-39.12	274.25	1.55	-37.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(Br)=C1	REAL300025574186	0	30	-1.0	-37.95	285.54	3.83	-34.12
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300025574187	0	38	-1.0	-45.79	321.80	3.09	-42.70
CC(C(=O)NCC1=NC(=O)O[N-]1)N(C(=O)OC(C)(C)C)C1CC1	REAL300025574188	0	44	-1.0	-38.32	343.92	2.10	-36.22
CN1N=CC(I)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574189	0	24	-1.0	-35.68	254.47	-0.25	-35.93
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=C(C#N)C=C12	REAL300025574190	0	31	-1.0	-38.44	295.70	3.46	-34.98
CC(C)(C)OC(=O)N1CCCC1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574191	0	47	-1.0	-43.36	374.28	2.66	-40.70
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C(Br)=CN=C2S1	REAL300025574192	0	24	-1.0	-35.41	262.87	1.39	-34.02
COCCOCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574193	0	38	-1.0	-40.31	331.67	1.01	-39.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1Br	REAL300025574194	0	24	-1.0	-37.08	243.10	1.71	-35.37
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1F	REAL300025574195	0	44	-1.0	-40.06	378.48	2.34	-37.72
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574196	0	35	-1.0	-36.63	317.49	1.51	-35.12
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025574197	0	30	-1.0	-35.56	282.98	2.89	-32.67
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Br)=C1	REAL300025574198	0	33	-1.0	-36.39	307.59	3.63	-32.76
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574199	0	37	-1.0	-40.14	320.34	1.46	-38.68
COC(=O)C12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025574200	0	40	-1.0	-36.78	320.19	2.65	-34.13
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2F)=N1	REAL300025574201	0	39	-1.0	-42.32	346.91	4.20	-38.12
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(F)=C2)CCOCC1	REAL300025574202	0	41	-1.0	-36.63	332.77	2.74	-33.89
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OC2CCCCC2)C(Cl)=C1	REAL300025574203	0	40	-1.0	-34.48	347.91	2.09	-32.39
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCC1=NC(=O)O[N-]1	REAL300025574204	0	35	-1.0	-43.44	302.28	0.96	-42.48
CN1C=C(C2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025574205	0	33	-1.0	-42.05	292.82	0.50	-41.55
CC1=CC(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C12	REAL300025574206	0	33	-1.0	-40.07	291.94	0.71	-39.36
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2Br)CC1	REAL300025574207	0	34	-1.0	-36.33	311.34	4.11	-32.22
CCC1C(C(=O)NCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025574208	0	47	-1.0	-39.47	363.03	2.74	-36.73
CC1=CC=C(C2=CSC(C(=O)NCC3=NC(=O)O[N-]3)=C2N2C=CC=C2)C=C1	REAL300025574209	0	42	-1.0	-38.77	375.26	7.69	-31.08
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300025574210	0	41	0.0	-61.05	325.14	3.35	-57.70
COC1=C(Cl)C=C2NC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025574211	0	32	-1.0	-40.41	298.99	0.86	-39.55
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=C2)OC1=O	REAL300025574212	0	34	-1.0	-44.59	300.57	2.98	-41.61
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC(C2=C(F)C=CC=C2F)=N1	REAL300025574213	0	39	-1.0	-46.28	350.10	4.43	-41.85
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2Cl)C1	REAL300025574214	0	36	-1.0	-36.46	317.89	2.31	-34.15
CC1=CC(=O)C=C(C)N1CCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574215	0	39	-1.0	-50.96	325.33	2.72	-48.24
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2F)C1	REAL300025574216	0	36	-1.0	-37.36	308.15	1.64	-35.72
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025574217	0	36	-1.0	-35.12	304.59	3.57	-31.55
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025574218	0	33	-1.0	-43.22	304.89	0.78	-42.44
CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574219	0	51	-1.0	-41.94	402.44	4.08	-37.86
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025574220	0	23	-1.0	-39.50	248.09	-0.53	-40.03
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025574221	0	36	-1.0	-40.14	302.82	1.32	-38.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1	REAL300025574222	0	32	-1.0	-39.19	309.61	2.91	-36.28
CC1=CSC(NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025574223	0	35	-1.0	-37.78	317.99	2.06	-35.72
NC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NC(N2CCOCC2)=N1	REAL300025574224	0	36	-1.0	-39.31	312.81	-0.34	-39.65
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OCC(F)F)C=N1	REAL300025574225	0	29	-1.0	-39.94	280.19	-2.79	-42.73
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1Cl	REAL300025574226	0	29	-1.0	-42.36	277.03	2.01	-40.35
CN1N=NC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574227	0	23	-1.0	-36.01	242.83	-2.20	-38.21
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C(C(F)(F)F)C=C1F	REAL300025574228	0	27	-1.0	-36.66	276.06	2.01	-34.65
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(Cl)C=C2Cl)=NO1	REAL300025574229	0	32	-1.0	-40.50	318.33	3.55	-36.95
COC1=CC=C(C(=O)CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574230	0	39	-1.0	-45.36	338.17	2.46	-42.90
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574231	0	43	-1.0	-35.57	342.08	0.22	-35.35
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025574232	0	48	-1.0	-46.18	384.12	1.18	-45.00
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1Br	REAL300025574233	0	29	-1.0	-42.26	280.76	2.12	-40.14
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574234	0	37	-1.0	-38.07	330.71	4.95	-33.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)CSC2=C1	REAL300025574235	0	30	-1.0	-38.04	281.11	0.08	-37.96
CC1C(C(=O)NCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025574236	0	47	-1.0	-42.50	355.61	2.96	-39.54
O=C(NCC1=NC(=O)O[N-]1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300025574237	0	37	-1.0	-34.55	301.47	2.87	-31.68
CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574238	0	53	-1.0	-40.41	411.91	3.97	-36.44
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC(C2=C(F)C=CC=C2Cl)=N1	REAL300025574239	0	39	-1.0	-42.70	353.59	4.99	-37.71
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC(F)=CC=C2F)=N1	REAL300025574240	0	39	-1.0	-43.68	352.87	4.51	-39.17
CC1=CC(F)=CC=C1C1=NC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025574241	0	42	-1.0	-40.44	369.69	5.02	-35.42
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(Cl)=C2)CCCCC1	REAL300025574242	0	43	-1.0	-37.10	351.10	5.56	-31.54
CC(C)(C)OC(=O)N1CC(C(F)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574243	0	41	-1.0	-39.45	345.62	1.07	-38.38
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CS2)CCCCC1	REAL300025574244	0	40	-1.0	-37.65	325.42	4.17	-33.48
CC1=NOC(CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)=C1	REAL300025574245	0	35	-1.0	-45.01	317.41	-0.06	-45.07
CC1=CC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025574246	0	36	-1.0	-35.91	315.89	3.83	-32.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC(F)=CC=C21	REAL300025574247	0	30	-1.0	-37.81	281.25	3.14	-34.67
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C=NC2=C(Br)C=CC=C21	REAL300025574248	0	30	-1.0	-38.94	295.87	-0.86	-39.80
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300025574248	1	29	-2.0	-92.45	292.31	-0.09	-92.54
COC1=CC=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025574249	0	34	-1.0	-42.87	306.07	-1.26	-44.13
CC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574250	0	37	-1.0	-47.66	341.11	-2.17	-49.83
CC(=O)C1=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=C(C)C=C2O1	REAL300025574251	0	38	-1.0	-42.43	335.02	3.36	-39.07
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574252	0	41	-1.0	-43.19	352.30	2.45	-40.74
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574253	0	31	-1.0	-38.36	299.60	3.72	-34.64
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574254	0	43	-1.0	-39.08	351.23	1.54	-37.54
CC(C)CC(=O)NC(CC1=CN=CN1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574254	1	43	-1.0	-41.42	351.14	0.00	-41.42
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL300025574255	0	33	-1.0	-39.07	308.29	2.88	-36.19
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300025574256	0	38	-1.0	-40.70	314.21	0.47	-40.23
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574257	0	38	-1.0	-38.37	321.09	3.32	-35.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1	REAL300025574258	0	37	-1.0	-40.00	344.54	6.21	-33.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1Br	REAL300025574259	0	23	-1.0	-33.78	249.66	0.32	-33.46
COC(C)(C)C1=NC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574260	0	36	-1.0	-37.39	314.12	-0.29	-37.68
CC1=CC(C(F)(F)F)=NN1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574261	0	30	-1.0	-40.50	289.10	0.60	-39.90
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574262	0	30	-1.0	-39.73	301.80	0.99	-38.74
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1	REAL300025574263	0	31	-1.0	-36.21	294.96	3.69	-32.52
CC(C)(C)OC(=O)NCCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025574264	0	49	-1.0	-49.60	413.28	-0.47	-50.07
CC(C)(C)OC(=O)N1CCC(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)CC1	REAL300025574265	0	50	-1.0	-41.34	407.48	0.64	-40.70
CC1(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)OCCO1	REAL300025574266	0	32	-1.0	-39.24	297.47	-1.48	-40.72
O=C(NCC1=NC(=O)O[N-]1)C1CN(C(=O)C2CCCCC2)C1	REAL300025574267	0	41	-1.0	-39.18	336.09	1.87	-37.31
CNC1=CC(I)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574268	0	29	-1.0	-34.66	278.58	1.31	-33.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=N1	REAL300025574269	0	23	-1.0	-37.00	246.15	0.41	-36.59
CC(C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(F)(F)F	REAL300025574270	0	33	-1.0	-38.04	296.09	3.22	-34.82
CC1=CC=C(OC2=CC=CC=C2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574271	0	41	-1.0	-40.78	353.90	5.19	-35.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)CC2CC2)C=C1	REAL300025574272	0	37	-1.0	-42.28	334.83	1.06	-41.22
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574273	0	37	-1.0	-37.79	317.57	3.76	-34.03
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025574274	0	32	-1.0	-47.91	306.09	0.27	-47.64
CC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025574275	0	29	-1.0	-39.77	280.79	3.82	-35.95
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300025574276	0	34	-1.0	-40.77	306.98	3.88	-36.89
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300025574277	0	34	-1.0	-36.65	312.39	4.08	-32.57
CC1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2)C=C1	REAL300025574278	0	37	-1.0	-38.78	328.42	2.86	-35.92
CC1=CC(OCC2=CC=CC=C2)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574279	0	38	-1.0	-43.80	344.94	5.12	-38.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(F)=C2)C=N1	REAL300025574280	0	34	-1.0	-38.20	313.43	2.26	-35.94
CC1=CC=CC=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025574281	0	37	-1.0	-39.58	327.93	2.87	-36.71
O=C(CC1=CC=CC=C1OC1CCCC1)NCC1=NC(=O)O[N-]1	REAL300025574282	0	41	-1.0	-39.21	339.62	3.99	-35.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1	REAL300025574283	0	34	-1.0	-37.90	323.75	2.70	-35.20
CC1=CC=CC(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2)=C1	REAL300025574284	0	37	-1.0	-38.82	328.42	2.87	-35.95
CC(C)(C)OC(=O)NCC1OCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574285	0	45	-1.0	-44.57	362.82	-1.46	-46.03
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)OC(C)(C)C)=C1	REAL300025574286	0	42	-1.0	-37.73	352.18	4.41	-33.32
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1	REAL300025574287	0	31	-1.0	-36.20	294.96	3.70	-32.50
CC1=CC(Br)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574288	0	24	-1.0	-36.57	252.72	1.46	-35.11
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N=C2CCCCN21	REAL300025574289	0	31	-1.0	-39.81	290.28	1.54	-38.27
O=C(NCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300025574290	0	34	-1.0	-40.35	331.38	0.54	-39.81
CCOC(CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1)OCC	REAL300025574291	0	41	-1.0	-39.37	350.96	0.48	-38.89
CCC1(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)COC1	REAL300025574292	0	37	-1.0	-44.91	314.98	-1.09	-46.00
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574293	0	35	-1.0	-36.10	314.22	2.62	-33.48
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1	REAL300025574294	0	33	-1.0	-42.70	334.82	2.15	-40.55
CC1=CC=C2C(=O)N(C(C)C(=O)NCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025574295	0	37	-1.0	-44.04	325.89	2.77	-41.27
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025574296	0	24	-1.0	-38.47	247.03	-0.74	-39.21
COC1=CC(Cl)=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574297	0	28	-1.0	-38.19	271.31	0.91	-37.28
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574298	0	34	-1.0	-38.38	306.61	2.88	-35.50
C[C@H](C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025574299	0	34	-1.0	-44.93	304.51	2.10	-42.83
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574300	0	37	-1.0	-35.64	328.56	2.80	-32.84
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N=C2CCCN21	REAL300025574301	0	28	-1.0	-38.81	265.70	1.07	-37.74
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NN=C(C3=CC=CC=C3)N2C1	REAL300025574302	0	40	-1.0	-40.50	334.59	4.33	-36.17
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025574303	0	31	-1.0	-38.81	294.45	2.13	-36.68
CC1=CC=CC(C2=NN=C3CCC(C(=O)NCC4=NC(=O)O[N-]4)CN32)=C1	REAL300025574304	0	43	-1.0	-40.51	355.96	5.01	-35.50
N#CC1=C(Br)C=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574305	0	29	-1.0	-45.76	294.58	2.52	-43.24
CC(C)(C)OC(=O)NCCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025574306	0	46	-1.0	-46.66	391.78	-1.24	-47.90
CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574307	0	53	-1.0	-39.53	407.51	4.06	-35.47
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=C(Cl)C=CC=C12	REAL300025574308	0	31	-1.0	-37.61	289.24	2.18	-35.43
CN1N=CC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574309	0	24	-1.0	-36.13	248.00	-0.73	-36.86
CC1=CC=CC(CS(=O)(=O)CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574310	0	39	-1.0	-44.99	352.15	0.90	-44.09
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025574311	0	44	-1.0	-38.93	377.47	0.32	-38.61
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL300025574312	0	31	-1.0	-36.11	305.57	4.05	-32.06
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1	REAL300025574313	0	41	-1.0	-40.23	357.92	3.46	-36.77
O=C(CC1CSC2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL300025574314	0	33	-1.0	-40.89	298.45	3.07	-37.82
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2=CC=CC=C2)C1	REAL300025574315	0	51	-1.0	-41.48	405.68	4.69	-36.79
CN1C=C(C(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574316	0	43	-1.0	-40.87	376.38	6.21	-34.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL300025574317	0	37	-1.0	-38.86	323.92	5.50	-33.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300025574318	0	43	0.0	-60.16	341.04	4.80	-55.36
CC(C)OC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025574319	0	36	-1.0	-36.29	316.37	3.33	-32.96
CC1=CC=CC=C1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025574320	0	33	-1.0	-42.50	299.46	1.64	-40.86
CCOC1=CC=C(CC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574321	0	40	-1.0	-36.87	333.87	3.23	-33.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL300025574322	0	33	-1.0	-39.14	301.88	3.75	-35.39
CC1(C)CC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025574323	0	38	-1.0	-37.80	311.03	2.79	-35.01
CCC(CC)OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574324	0	40	-1.0	-36.49	326.27	3.30	-33.19
O=C(CC1=CC=CC=C1OC1CCOC1)NCC1=NC(=O)O[N-]1	REAL300025574325	0	39	-1.0	-42.12	329.90	1.43	-40.69
CC1=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCCC2)=CC=C1Br	REAL300025574326	0	43	-1.0	-36.38	353.18	5.51	-30.87
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)NCC1=NC(=O)O[N-]1	REAL300025574327	0	33	-1.0	-44.03	305.97	-0.52	-44.55
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2CCCCC2)=N1	REAL300025574328	0	36	-1.0	-40.21	313.07	1.98	-38.23
CCC1=CC=CC=C1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025574329	0	36	-1.0	-42.67	312.95	2.23	-40.44
O=C(CC(C1=CC=C(O)C=C1)C1CC1)NCC1=NC(=O)O[N-]1	REAL300025574330	0	38	-1.0	-37.48	322.50	1.53	-35.95
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)S1	REAL300025574331	0	23	-1.0	-35.25	254.93	0.66	-34.59
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300025574332	0	27	-1.0	-36.15	283.94	2.66	-33.49
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300025574332	1	26	-2.0	-101.42	282.61	0.84	-100.58
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1CC1=CC=CC=C1	REAL300025574333	0	39	-1.0	-43.76	339.11	2.37	-41.39
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574334	0	43	-1.0	-39.09	359.62	0.30	-38.79
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=C(F)C=CC=C2F)=N1	REAL300025574335	0	30	-1.0	-45.75	290.32	-0.10	-45.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=C(Cl)C=C2O1	REAL300025574336	0	29	-1.0	-35.34	287.74	1.82	-33.52
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCC1	REAL300025574337	0	44	-1.0	-35.16	348.88	0.62	-34.54
CC(C)=CCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574338	0	41	-1.0	-39.57	349.50	3.99	-35.58
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C2=C1CCCC2	REAL300025574339	0	41	-1.0	-50.12	349.60	4.61	-45.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CCC2)C=C1	REAL300025574340	0	37	-1.0	-41.76	329.30	0.90	-40.86
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=C2C=CC=CN21	REAL300025574341	0	30	-1.0	-43.40	292.34	2.28	-41.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300025574342	0	30	-1.0	-41.88	279.19	-0.03	-41.91
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL300025574343	0	38	-1.0	-39.10	302.98	2.11	-36.99
COC1=CC=C(Br)C=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574344	0	35	-1.0	-38.64	324.71	2.85	-35.79
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC=N1	REAL300025574345	0	40	-1.0	-38.46	354.93	-1.31	-39.77
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C(C)NC(=O)OC(C)(C)C	REAL300025574346	0	49	-1.0	-38.43	377.01	2.05	-36.38
CC(C)(C)OC(=O)N1CC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574347	0	41	-1.0	-43.49	337.76	0.86	-42.63
CC(C)(C)OC(=O)NCC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574348	0	44	-1.0	-41.25	360.31	0.68	-40.57
CC(NC(=O)OC(C)(C)C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574349	0	47	-1.0	-39.02	386.50	2.37	-36.65
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2	REAL300025574350	0	41	-1.0	-42.00	349.49	4.53	-37.47
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2	REAL300025574351	0	38	-1.0	-53.62	343.17	4.26	-49.36
CC1=CC=C(F)C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)=C1	REAL300025574352	0	41	-1.0	-50.09	358.28	4.87	-45.22
CC1=CC=CC(F)=C1N1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C1CCC2	REAL300025574353	0	41	-1.0	-45.30	352.11	4.90	-40.40
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2	REAL300025574354	0	38	-1.0	-48.46	336.02	4.09	-44.37
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574355	0	27	-1.0	-43.67	275.87	-2.36	-46.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC(Br)=CC=C2O1	REAL300025574356	0	29	-1.0	-34.97	292.42	1.91	-33.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300025574357	0	37	-1.0	-38.92	327.17	2.58	-36.34
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574358	0	43	-1.0	-45.48	368.63	-0.67	-46.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300025574359	0	27	-2.0	-90.62	263.85	1.64	-88.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1O	REAL300025574359	1	28	-1.0	-37.73	267.41	0.64	-37.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300025574360	0	29	-2.0	-81.73	277.81	-1.27	-83.00
O=C(NCC1=NC(=O)O[N-]1)C1(C2=C(F)C=CC=C2F)CCC1	REAL300025574361	0	34	-1.0	-38.73	295.46	3.39	-35.34
CCOC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025574362	0	36	-1.0	-40.83	318.65	4.19	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300025574363	0	44	-1.0	-40.50	361.12	4.98	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300025574364	0	30	-1.0	-42.50	294.98	-1.03	-43.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1	REAL300025574365	0	37	-1.0	-37.83	328.61	3.35	-34.48
CC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574366	0	24	-1.0	-35.15	254.41	1.40	-33.75
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2F)C2=C1CCC2	REAL300025574367	0	38	-1.0	-51.88	353.06	4.70	-47.18
CC1=CC(F)=CC(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)=C1	REAL300025574368	0	41	-1.0	-42.66	355.73	4.70	-37.96
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025574369	0	33	-1.0	-42.77	296.67	4.70	-38.07
O=C(CCC1=CC=CC(OC(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025574370	0	34	-1.0	-39.09	306.41	2.12	-36.97
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Br)O1	REAL300025574371	0	24	-1.0	-34.91	244.48	0.56	-34.35
COC(=O)N1CC2CCC1C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025574372	0	39	-1.0	-44.47	314.31	1.69	-42.78
COC(=O)N1CC2C=CC1C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025574373	0	37	-1.0	-44.21	306.26	1.77	-42.44
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL300025574374	0	37	-1.0	-35.76	292.27	2.88	-32.88
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2Cl)CCCCC1	REAL300025574375	0	40	-1.0	-34.33	334.91	5.74	-28.59
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574376	0	44	-1.0	-39.72	365.70	0.57	-39.15
CC(C)(C)OC(=O)NC(CCC(=O)NCC1=NC(=O)O[N-]1)CC1CCCCC1	REAL300025574377	0	59	-1.0	-38.03	452.05	4.24	-33.79
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574378	0	40	-1.0	-38.28	341.65	4.11	-34.17
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300025574379	0	27	-1.0	-38.47	282.39	2.60	-35.87
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300025574379	1	26	-2.0	-104.51	281.07	0.78	-103.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)O1	REAL300025574380	0	25	-1.0	-39.05	266.54	0.82	-38.23
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(I)C([O-])=C1	REAL300025574381	0	23	-2.0	-78.70	250.45	-1.82	-80.52
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(I)C(O)=C1	REAL300025574381	1	24	-1.0	-35.99	254.01	-2.59	-38.58
CC(C)(C)OC(=O)N1[C@H](CCC(=O)NCC2=NC(=O)O[N-]2)COC1(C)C	REAL300025574382	0	51	-1.0	-42.02	400.27	1.32	-40.70
CC(CC(=O)NCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025574383	0	30	-1.0	-36.40	284.40	0.78	-35.62
CN1N=C2C=C(Br)C=CC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574384	0	30	-1.0	-36.63	294.22	1.49	-35.14
O=C(NCC1=NC(=O)O[N-]1)C1=CSC2=CC(Cl)=CN=C12	REAL300025574385	0	26	-1.0	-40.50	269.66	1.17	-39.33
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574386	0	48	-1.0	-41.05	385.85	4.19	-36.86
CC(C)(C)OC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574387	0	47	-1.0	-41.77	363.95	3.13	-38.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1OC(F)F	REAL300025574388	0	28	-1.0	-38.19	279.49	2.50	-35.69
COC1=CC(Br)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574389	0	28	-1.0	-37.43	284.50	2.69	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300025574390	0	29	-2.0	-82.76	279.30	0.88	-81.88
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300025574390	1	30	-1.0	-47.03	281.76	1.31	-45.72
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300025574391	0	31	-1.0	-38.28	288.51	2.28	-36.00
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=CC(F)=C2C1=O	REAL300025574392	0	29	-2.0	-90.59	277.74	0.89	-89.70
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025574393	0	33	-1.0	-38.00	306.74	3.50	-34.50
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025574394	0	38	-1.0	-38.06	328.18	2.02	-36.04
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2F)C2=C1CCC2	REAL300025574395	0	38	-1.0	-49.71	346.50	4.61	-45.10
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C(F)=C2)C2=C1CCC2	REAL300025574396	0	38	-1.0	-41.12	352.19	4.60	-36.52
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2	REAL300025574397	0	38	-1.0	-42.90	340.75	4.10	-38.80
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2F)C2=C1CCC2	REAL300025574398	0	38	-1.0	-47.52	346.50	4.61	-42.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Cl)=C2S1	REAL300025574399	0	27	-1.0	-39.74	276.58	2.96	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC(Br)=CC=C21	REAL300025574400	0	31	-1.0	-35.61	287.88	3.45	-32.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300025574401	0	26	-2.0	-86.15	269.12	2.37	-83.78
COC1=C(Br)C=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574402	0	28	-1.0	-39.67	284.23	1.07	-38.60
CSC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574403	0	37	-1.0	-38.56	328.86	4.34	-34.22
O=C(CN1N=NN=C1C1=CSC=C1)NCC1=NC(=O)O[N-]1	REAL300025574404	0	29	-1.0	-40.92	279.83	-0.36	-41.28
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C(F)=C1	REAL300025574405	0	33	-1.0	-43.18	306.04	1.31	-41.87
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(Cl)C=C2C=C1	REAL300025574406	0	32	-1.0	-44.32	298.49	2.96	-41.36
CCOC(=O)C1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574407	0	42	-1.0	-38.90	335.08	3.33	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1N1C=NC=N1	REAL300025574408	0	30	-1.0	-45.91	288.89	4.36	-41.55
CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=N1	REAL300025574409	0	35	-1.0	-41.67	309.41	2.40	-39.27
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Br)C=N1	REAL300025574410	0	37	-1.0	-39.83	340.60	4.51	-35.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=NC=C2S1	REAL300025574411	0	26	-1.0	-35.10	275.46	1.25	-33.85
CCCC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574412	0	42	-1.0	-37.34	353.03	5.54	-31.80
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1N1CCOCC1	REAL300025574413	0	40	-1.0	-36.93	328.64	1.26	-35.67
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574414	0	41	-1.0	-38.80	338.45	-0.22	-39.02
O=C(CC1=CC=C(Br)C([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL300025574415	0	29	-1.0	-40.77	290.14	2.86	-37.91
C[N@@H+]1CCCC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025574416	0	43	0.0	-63.47	341.64	4.65	-58.82
C[N@H+]1CCCC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025574416	1	43	0.0	-63.43	341.63	4.64	-58.79
N#CC1=CC(Br)=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574417	0	34	-1.0	-36.99	322.87	1.30	-35.69
COC(=O)C1=C(COCC(=O)NCC2=NC(=O)O[N-]2)OC=N1	REAL300025574418	0	33	-1.0	-46.11	308.77	-2.58	-48.69
O=C(CN1CC2=CC=CC=C2OC1=O)NCC1=NC(=O)O[N-]1	REAL300025574419	0	33	-1.0	-46.52	295.23	1.84	-44.68
CC1=C(C2=CC=CC=C2)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574420	0	34	-1.0	-38.44	312.38	4.37	-34.07
O=C(CCC1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025574421	0	30	-1.0	-37.42	295.26	3.38	-34.04
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C2=CC=CC=C2)=C1	REAL300025574422	0	44	-1.0	-40.49	375.25	5.88	-34.61
CCC1=C(C2=CC=CC=C2)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574423	0	37	-1.0	-38.26	332.76	5.09	-33.17
O=C(NCC1=NC(=O)O[N-]1)C1(C(=O)NC2=C(F)C=CC=C2F)CC1	REAL300025574424	0	35	-1.0	-43.22	323.38	1.42	-41.80
CC(C)(C)OC(=O)N1CCCC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574425	0	47	-1.0	-44.74	368.48	2.66	-42.08
CC(C)(C)OC(=O)N(CCC(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025574426	0	44	-1.0	-39.43	355.81	2.40	-37.03
CC(C)(C)OC(=O)NCC1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574427	0	47	-1.0	-44.55	370.89	0.95	-43.60
CC(C(=O)NCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025574428	0	40	-1.0	-38.61	324.06	1.05	-37.56
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(=O)C2=CC=CC=C21	REAL300025574429	0	32	-1.0	-45.23	284.29	2.96	-42.27
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574430	0	48	-1.0	-41.16	379.69	3.32	-37.84
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574431	0	47	-1.0	-47.89	388.04	2.19	-45.70
O=C(CCC(=O)NC1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025574432	0	34	-1.0	-43.04	317.70	1.03	-42.01
CS(=O)(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574433	0	38	-1.0	-43.34	320.47	-1.57	-44.91
COC1=CC=C2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025574434	0	38	-1.0	-41.94	312.40	2.84	-39.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=C(C3=CC=C(Cl)C=C3)C=N2)C=C1	REAL300025574435	0	41	-1.0	-39.22	373.79	6.29	-32.93
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Br)C=C2)N=C1	REAL300025574436	0	30	-1.0	-37.14	301.39	1.29	-35.85
CN1C=CN=C1[C@@H]1[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CCC(=O)N1C1CC1	REAL300025574437	0	45	-1.0	-39.98	362.07	1.98	-38.00
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574438	0	37	-1.0	-40.19	322.95	2.81	-37.38
CN(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025574439	0	35	-1.0	-34.96	312.25	1.45	-33.51
CCN1C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025574440	0	34	-1.0	-38.95	300.90	0.88	-38.07
CSC1=CC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574441	0	28	-1.0	-36.13	278.12	2.65	-33.48
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025574442	0	31	-1.0	-38.51	288.86	2.56	-35.95
CC1=CC=C(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1C	REAL300025574443	0	36	-1.0	-37.37	326.28	3.17	-34.20
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NCC1=NC(=O)O[N-]1	REAL300025574444	0	33	-1.0	-38.10	306.76	1.64	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL300025574445	0	33	-1.0	-39.57	303.23	1.31	-38.26
O=C(CC1OCC2=CC(Cl)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025574446	0	32	-1.0	-38.01	296.96	2.21	-35.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)O1	REAL300025574447	0	28	-1.0	-35.80	279.76	0.88	-34.92
CC1=CC=C(S(=O)(=O)C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025574448	0	43	-1.0	-44.94	362.09	2.22	-42.72
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCCCC1	REAL300025574449	0	40	-1.0	-36.67	334.62	4.95	-31.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2C=CN=C2)=CC=C1O	REAL300025574450	0	32	-1.0	-43.46	285.86	1.98	-41.48
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Br)=N1	REAL300025574451	0	20	-1.0	-39.30	230.10	-1.37	-40.67
NC1=C(Cl)C(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025574452	0	26	-1.0	-34.60	266.53	0.12	-34.48
CC(C)(C)OC(=O)N1C(C(=O)NCC2=NC(=O)O[N-]2)CCC1C1CC1	REAL300025574453	0	48	-1.0	-41.69	377.23	3.89	-37.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl	REAL300025574454	0	26	-1.0	-32.77	285.25	2.96	-29.81
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(N2CCCCC2)=N1	REAL300025574455	0	35	-1.0	-40.21	306.33	0.53	-39.68
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300025574456	0	31	-1.0	-40.86	290.78	-0.79	-41.65
NS(=O)(=O)C1=CC=C(NCC(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025574457	0	34	-1.0	-43.08	318.32	-4.94	-48.02
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025574458	0	43	0.0	-60.11	358.85	2.16	-57.95
CCC(CC)(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025574459	0	44	-1.0	-40.02	346.03	4.07	-35.95
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC=CCC1	REAL300025574460	0	43	-1.0	-37.82	343.40	3.62	-34.20
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300025574461	0	35	-1.0	-39.78	317.87	2.56	-37.22
COC1=CC=C(C([NH2+]C(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574462	0	43	0.0	-50.18	348.42	1.52	-48.66
COC1=CC=C(C(NC(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574462	1	42	-1.0	-36.33	350.44	0.55	-35.78
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2F)=N1	REAL300025574463	0	33	-1.0	-39.66	309.49	2.82	-36.84
CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574464	0	46	-1.0	-41.17	379.53	3.32	-37.85
O=C(CC(N1C=CN=C1)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025574465	0	30	-1.0	-38.39	279.67	2.07	-36.32
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CSC[C@H]1C1=CC=CC=C1	REAL300025574466	0	35	-1.0	-37.03	304.37	3.91	-33.12
COC1=CC=CC(N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)OC(C)(C)C)=C1	REAL300025574467	0	48	-1.0	-42.31	400.43	3.46	-38.85
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025574468	0	38	-1.0	-37.11	326.73	1.94	-35.17
O=C(N[C@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1)OCC1=CC=CC=C1	REAL300025574469	0	42	-1.0	-39.93	365.37	1.74	-38.19
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574470	0	43	-1.0	-36.27	345.45	0.06	-36.21
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574471	0	47	-1.0	-38.32	374.04	1.24	-37.08
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574472	0	44	-1.0	-38.82	350.98	0.81	-38.01
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2=CC=C(Br)C=C21	REAL300025574473	0	32	-1.0	-38.49	295.41	2.24	-36.25
CNC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025574474	0	33	-1.0	-44.24	304.75	-0.93	-45.17
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300025574475	0	37	-1.0	-46.81	341.82	3.65	-43.16
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Cl)N=C1	REAL300025574476	0	32	-1.0	-37.77	302.56	3.30	-34.47
CC1=NN=NN1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574477	0	32	-1.0	-39.29	288.43	1.08	-38.21
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574478	0	39	-1.0	-42.31	351.27	4.72	-37.59
CC1=NN(CC2CC2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574479	0	40	-1.0	-40.57	340.07	2.90	-37.67
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574480	0	45	-1.0	-41.08	369.47	4.79	-36.29
O=C(CCCC1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025574481	0	43	-1.0	-37.88	351.35	5.81	-32.07
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Cl)CCC1	REAL300025574482	0	34	-1.0	-37.28	299.29	3.64	-33.64
O=C(NCC1=NC(=O)O[N-]1)C1=NSC=C1Br	REAL300025574483	0	20	-1.0	-39.28	225.03	-0.84	-40.12
CCC(CC)(COCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574484	0	46	-1.0	-35.97	369.41	4.20	-31.77
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574485	0	49	0.0	-49.28	381.29	0.53	-48.75
COC1=CC=C(CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025574486	0	40	-1.0	-45.53	345.53	0.90	-44.63
N#CC1=CC(Br)=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574487	0	28	-1.0	-39.79	285.79	2.57	-37.22
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(CC2=C(Cl)C=CC=C2Cl)S1	REAL300025574488	0	33	-1.0	-37.23	338.51	3.47	-33.76
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300025574489	0	30	-1.0	-36.94	304.65	2.47	-34.47
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300025574490	0	30	-1.0	-41.52	296.09	2.20	-39.32
CC(C)OC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025574491	0	34	-1.0	-35.11	310.79	2.58	-32.53
O=C(CC1(CN2C=NN=N2)CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025574492	0	41	-1.0	-37.77	318.42	2.60	-35.17
CC1=CC=CC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N2C)=C1	REAL300025574493	0	38	-1.0	-38.22	320.08	4.34	-33.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CNC2=O)=C1	REAL300025574494	0	32	-1.0	-52.21	284.38	1.20	-51.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CNC2=O)C=C1	REAL300025574495	0	32	-1.0	-44.68	284.21	1.20	-43.48
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574496	0	40	-1.0	-41.54	343.74	-0.48	-42.02
O=C(CC1=CC=C2OC(F)(F)OC2=C1)NCC1=NC(=O)O[N-]1	REAL300025574497	0	30	-1.0	-38.61	285.36	0.83	-37.78
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574498	0	42	-1.0	-40.19	338.87	3.28	-36.91
COC1=CC=CC=C1CN1C=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025574499	0	44	-1.0	-42.94	378.53	5.60	-37.34
CC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025574500	0	30	-1.0	-36.49	275.35	2.89	-33.60
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574501	0	38	-1.0	-38.76	323.57	3.16	-35.60
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025574502	0	41	-1.0	-39.44	357.02	5.01	-34.43
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC(Br)=C1F	REAL300025574503	0	27	-1.0	-33.34	262.93	2.37	-30.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL300025574504	0	26	-1.0	-37.53	271.99	0.99	-36.54
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300025574505	0	27	-1.0	-38.19	285.24	2.22	-35.97
O=C(CCC1=CSC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025574506	0	27	-1.0	-36.18	276.52	2.01	-34.17